smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H]1CCCN(c2cc[nH+]cc2)C1 53204764 536366063 /nfs/dbraw/zinc/36/60/63/536366063.db2.gz IBYAIMGTMYDPHG-SNVBAGLBSA-N 2 0 191.278 1.270 10 0 ADAERP C[NH2+][C@H]1CCCN(c2cc[nH+]cc2)C1 53204765 536415192 /nfs/dbraw/zinc/41/51/92/536415192.db2.gz IBYAIMGTMYDPHG-JTQLQIEISA-N 2 0 191.278 1.270 10 0 ADAERP C1CC[NH+](C2CC3(CC[NH2+]CC3)C2)C1 675070220 537780010 /nfs/dbraw/zinc/78/00/10/537780010.db2.gz RWXZHJLUCSPFGT-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C[NH+](C)C1CC2(CC[NH2+]CC2)C1 675070400 537780433 /nfs/dbraw/zinc/78/04/33/537780433.db2.gz XGCLNELYQXTWQD-UHFFFAOYSA-N 2 0 168.284 1.080 10 0 ADAERP CC[N@H+](C)C1CC2(CC[NH2+]CC2)C1 675070414 537780582 /nfs/dbraw/zinc/78/05/82/537780582.db2.gz XRUYJBMIQJUHQQ-UHFFFAOYSA-N 2 0 182.311 1.470 10 0 ADAERP C[N@H+](C1CC1)C1CC2(CC[NH2+]CC2)C1 675070385 537780835 /nfs/dbraw/zinc/78/08/35/537780835.db2.gz WJEVNBPIHPRTIY-UHFFFAOYSA-N 2 0 194.322 1.613 10 0 ADAERP CC(C)[N@H+](C)C1CC2(CC[NH2+]CC2)C1 675069471 537780852 /nfs/dbraw/zinc/78/08/52/537780852.db2.gz HNNHWYOXAZMOEU-UHFFFAOYSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH+](CC)C1CC2(CC[NH2+]CC2)C1 675069616 537781700 /nfs/dbraw/zinc/78/17/00/537781700.db2.gz JINKTVCUTCRODW-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[N@H+](C)C1CC2(CC[NH2+]CC2)C1 675070409 537782247 /nfs/dbraw/zinc/78/22/47/537782247.db2.gz XRAHETNBMYIURJ-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP C1C[NH+](C2CC3(CC[NH2+]CC3)C2)C1 675069966 537782628 /nfs/dbraw/zinc/78/26/28/537782628.db2.gz NMXINGNHHBFCMM-UHFFFAOYSA-N 2 0 180.295 1.224 10 0 ADAERP CC(C)[NH2+]CCC[NH+]1CCCCC1 20128805 537783353 /nfs/dbraw/zinc/78/33/53/537783353.db2.gz BIZSSYVOXIOJIP-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP [NH3+]Cc1nc(CN2CCCC2)cs1 20439941 537785085 /nfs/dbraw/zinc/78/50/85/537785085.db2.gz HVAUMOXZSHDFQF-UHFFFAOYSA-N 2 0 197.307 1.198 10 0 ADAERP [NH3+]C[C@@H]1CCCC2(CCC([NH3+])CC2)O1 675072510 537790516 /nfs/dbraw/zinc/79/05/16/537790516.db2.gz IDDQADAGQCLRGE-YVNMAJEFSA-N 2 0 198.310 1.154 10 0 ADAERP [NH3+]C[C@H]1CCCC2(CCC([NH3+])CC2)O1 675072507 537791088 /nfs/dbraw/zinc/79/10/88/537791088.db2.gz IDDQADAGQCLRGE-HSOILSAZSA-N 2 0 198.310 1.154 10 0 ADAERP CCC(C)(C)[NH2+]C[C@H]1C[NH2+]CC12CC2 675075519 537791862 /nfs/dbraw/zinc/79/18/62/537791862.db2.gz QSEKXKZZPWIMLX-SNVBAGLBSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC12CC2 675075969 537792076 /nfs/dbraw/zinc/79/20/76/537792076.db2.gz XXKCSKGKYWAQSM-VHSXEESVSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075875 537792125 /nfs/dbraw/zinc/79/21/25/537792125.db2.gz WEPFTVZVZQOWJI-SNVBAGLBSA-N 2 0 182.311 1.232 10 0 ADAERP N[C@@H]1C=C(c2ccccc2)C[NH2+]C1 675076603 537792198 /nfs/dbraw/zinc/79/21/98/537792198.db2.gz DXMINXAMGUYZJQ-LLVKDONJSA-N 2 0 174.247 1.001 10 0 ADAERP CCC(C)(C)[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075518 537792280 /nfs/dbraw/zinc/79/22/80/537792280.db2.gz QSEKXKZZPWIMLX-JTQLQIEISA-N 2 0 196.338 1.764 10 0 ADAERP CCCC[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075305 537792929 /nfs/dbraw/zinc/79/29/29/537792929.db2.gz LGIWHGJMNHCKAA-SNVBAGLBSA-N 2 0 182.311 1.376 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1C[NH2+]CC12CC2 675075389 537792974 /nfs/dbraw/zinc/79/29/74/537792974.db2.gz NCOAAAIFSWCCRZ-SECBINFHSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)CC[NH2+][C@@H]1CN(C)CC1(C)C 675076697 537793019 /nfs/dbraw/zinc/79/30/19/537793019.db2.gz YJVPBKQXPNRTDT-LLVKDONJSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075391 537793147 /nfs/dbraw/zinc/79/31/47/537793147.db2.gz NCOAAAIFSWCCRZ-VIFPVBQESA-N 2 0 182.311 1.374 10 0 ADAERP Cc1ccc(C2=C[C@@H](N)C[NH2+]C2)cc1 675076587 537793822 /nfs/dbraw/zinc/79/38/22/537793822.db2.gz DRCXVJOXAMEXPF-GFCCVEGCSA-N 2 0 188.274 1.309 10 0 ADAERP C1CC([NH2+]C[C@H]2C[NH2+]CC23CC3)C1 675075435 537793860 /nfs/dbraw/zinc/79/38/60/537793860.db2.gz OOSPIKVVQARCFS-SECBINFHSA-N 2 0 180.295 1.128 10 0 ADAERP CCC(CC)[NH2+]C[C@H]1C[NH2+]CC12CC2 675075919 537793991 /nfs/dbraw/zinc/79/39/91/537793991.db2.gz WXMWMBSNWFVZHH-SNVBAGLBSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)CC[NH2+][C@H]1CN(C)CC1(C)C 675076698 537794175 /nfs/dbraw/zinc/79/41/75/537794175.db2.gz YJVPBKQXPNRTDT-NSHDSACASA-N 2 0 198.354 1.962 10 0 ADAERP Cc1ccc(C2=C[C@H](N)C[NH2+]C2)cc1 675076589 537794328 /nfs/dbraw/zinc/79/43/28/537794328.db2.gz DRCXVJOXAMEXPF-LBPRGKRZSA-N 2 0 188.274 1.309 10 0 ADAERP CCCC[NH2+]C[C@H]1C[NH2+]CC12CC2 675075304 537794481 /nfs/dbraw/zinc/79/44/81/537794481.db2.gz LGIWHGJMNHCKAA-JTQLQIEISA-N 2 0 182.311 1.376 10 0 ADAERP CC(C)C[NH2+]C[C@H]1C[NH2+]CC12CC2 675075873 537794614 /nfs/dbraw/zinc/79/46/14/537794614.db2.gz WEPFTVZVZQOWJI-JTQLQIEISA-N 2 0 182.311 1.232 10 0 ADAERP C1CC([NH2+]C[C@@H]2C[NH2+]CC23CC3)C1 675075437 537794668 /nfs/dbraw/zinc/79/46/68/537794668.db2.gz OOSPIKVVQARCFS-VIFPVBQESA-N 2 0 180.295 1.128 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075968 537794801 /nfs/dbraw/zinc/79/48/01/537794801.db2.gz XXKCSKGKYWAQSM-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[NH2+][C@H]1CN(C)CC1(C)C 675076443 537795154 /nfs/dbraw/zinc/79/51/54/537795154.db2.gz WXIOXOPHBHDSQJ-JTQLQIEISA-N 2 0 184.327 1.572 10 0 ADAERP CCC(CC)[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075917 537795356 /nfs/dbraw/zinc/79/53/56/537795356.db2.gz WXMWMBSNWFVZHH-JTQLQIEISA-N 2 0 196.338 1.764 10 0 ADAERP N[C@H]1C=C(c2ccccc2)C[NH2+]C1 675076606 537795363 /nfs/dbraw/zinc/79/53/63/537795363.db2.gz DXMINXAMGUYZJQ-NSHDSACASA-N 2 0 174.247 1.001 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CC12CC2 675075967 537795536 /nfs/dbraw/zinc/79/55/36/537795536.db2.gz XXKCSKGKYWAQSM-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[NH2+][C@@H]1CN(C)CC1(C)C 675076444 537795577 /nfs/dbraw/zinc/79/55/77/537795577.db2.gz WXIOXOPHBHDSQJ-SNVBAGLBSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075970 537795778 /nfs/dbraw/zinc/79/57/78/537795778.db2.gz XXKCSKGKYWAQSM-ZJUUUORDSA-N 2 0 182.311 1.374 10 0 ADAERP [NH3+][C@H]1C[NH2+]CC[C@H]1C=C1CCCCC1 675080211 537803111 /nfs/dbraw/zinc/80/31/11/537803111.db2.gz OPIPSXVQDRXJMW-RYUDHWBXSA-N 2 0 194.322 1.814 10 0 ADAERP [NH3+][C@@H]1C[NH2+]CC[C@@H]1C=C1CCCCC1 675080213 537803391 /nfs/dbraw/zinc/80/33/91/537803391.db2.gz OPIPSXVQDRXJMW-VXGBXAGGSA-N 2 0 194.322 1.814 10 0 ADAERP [NH3+][C@@H]1C[NH2+]CC[C@H]1C=C1CCCCC1 675080210 537804274 /nfs/dbraw/zinc/80/42/74/537804274.db2.gz OPIPSXVQDRXJMW-NWDGAFQWSA-N 2 0 194.322 1.814 10 0 ADAERP [NH3+][C@H]1C[NH2+]CC[C@@H]1C=C1CCCCC1 675080209 537806255 /nfs/dbraw/zinc/80/62/55/537806255.db2.gz OPIPSXVQDRXJMW-NEPJUHHUSA-N 2 0 194.322 1.814 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 37484164 537813764 /nfs/dbraw/zinc/81/37/64/537813764.db2.gz ZMTRDKWBALXLCY-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 37484238 537813892 /nfs/dbraw/zinc/81/38/92/537813892.db2.gz MTMHIKCTBJIZFU-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484282 537815032 /nfs/dbraw/zinc/81/50/32/537815032.db2.gz BXDYRUOBRAILPV-NEPJUHHUSA-N 2 0 198.354 1.964 10 0 ADAERP CC[NH2+]C[C@@H]1CC12CCC([NH3+])CC2 685946353 537815065 /nfs/dbraw/zinc/81/50/65/537815065.db2.gz QIUUCUYGKMCIOF-WHXUTIOJSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)[NH2+]C[C@H]1CC12CCC([NH3+])CC2 685945927 537815085 /nfs/dbraw/zinc/81/50/85/537815085.db2.gz GJTOAIKKDTZYFB-VOMCLLRMSA-N 2 0 196.338 1.892 10 0 ADAERP CC1CC[NH+](CCC[NH2+]C2CC2)CC1 37478465 537815153 /nfs/dbraw/zinc/81/51/53/537815153.db2.gz MTNJXONPPBRZBN-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+]C[C@H]1CC12CCC([NH3+])CC2 685946352 537815178 /nfs/dbraw/zinc/81/51/78/537815178.db2.gz QIUUCUYGKMCIOF-KPPDAEKUSA-N 2 0 182.311 1.504 10 0 ADAERP CC1(C[NH3+])CCC([NH2+]C2CC2)CC1 685945783 537815369 /nfs/dbraw/zinc/81/53/69/537815369.db2.gz AIJVRFSCIJLPKL-UHFFFAOYSA-N 2 0 182.311 1.646 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](CC)C1 37484284 537815660 /nfs/dbraw/zinc/81/56/60/537815660.db2.gz BXDYRUOBRAILPV-VXGBXAGGSA-N 2 0 198.354 1.964 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 37484239 537815753 /nfs/dbraw/zinc/81/57/53/537815753.db2.gz MTMHIKCTBJIZFU-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH+](CC)CCC[NH2+]C1CC1 37478469 537815859 /nfs/dbraw/zinc/81/58/59/537815859.db2.gz PRXMYTIKQHVBPR-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP C[N@H+](CCC[NH2+]C1CC1)C1CC1 37478548 537815897 /nfs/dbraw/zinc/81/58/97/537815897.db2.gz VZQLQTOACNHZNJ-UHFFFAOYSA-N 2 0 168.284 1.223 10 0 ADAERP CCC[N@H+](C)CCC[NH2+]C1CC1 37478564 537816060 /nfs/dbraw/zinc/81/60/60/537816060.db2.gz ULQUEWVLOWRTJB-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)C)C1 37484230 537816413 /nfs/dbraw/zinc/81/64/13/537816413.db2.gz JZXWCHLWWOVGQV-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CC12CCC([NH3+])CC2 685945926 537816504 /nfs/dbraw/zinc/81/65/04/537816504.db2.gz GJTOAIKKDTZYFB-UNXYVOJBSA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)[NH2+]C1CCC(C)(C[NH3+])CC1 685946325 537816637 /nfs/dbraw/zinc/81/66/37/537816637.db2.gz PKJXDOOMXHZVLU-UHFFFAOYSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 37478484 537816874 /nfs/dbraw/zinc/81/68/74/537816874.db2.gz MZEYWACTKDPXBP-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 37478483 537816952 /nfs/dbraw/zinc/81/69/52/537816952.db2.gz MZEYWACTKDPXBP-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[NH2+]C1CCC(C)(C[NH3+])CC1 685946211 537817114 /nfs/dbraw/zinc/81/71/14/537817114.db2.gz MOBNLFQEILVRCN-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP C[NH2+]C[C@@H]([NH3+])C1CCCCCC1 685946548 537817249 /nfs/dbraw/zinc/81/72/49/537817249.db2.gz CKNXINKJYWPTAS-SNVBAGLBSA-N 2 0 170.300 1.504 10 0 ADAERP C[NH2+]C[C@H]([NH3+])C1CCCCCC1 685946544 537817453 /nfs/dbraw/zinc/81/74/53/537817453.db2.gz CKNXINKJYWPTAS-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](CC)C1 37484285 537817481 /nfs/dbraw/zinc/81/74/81/537817481.db2.gz BXDYRUOBRAILPV-NWDGAFQWSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484162 537817511 /nfs/dbraw/zinc/81/75/11/537817511.db2.gz ZMTRDKWBALXLCY-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP C1CC[NH+](CCC[NH2+]C2CC2)C1 37478467 537817675 /nfs/dbraw/zinc/81/76/75/537817675.db2.gz KEUXIKQIDNMPIV-UHFFFAOYSA-N 2 0 168.284 1.224 10 0 ADAERP CC(C)[N@H+](C)CCC[NH2+]C1CC1 37478505 537817844 /nfs/dbraw/zinc/81/78/44/537817844.db2.gz KYHYBGGFLIYZMC-UHFFFAOYSA-N 2 0 170.300 1.469 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)C)C1 37484231 537817915 /nfs/dbraw/zinc/81/79/15/537817915.db2.gz JZXWCHLWWOVGQV-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[N@H+](C)CCC[NH2+]C1CC1 37478544 537817959 /nfs/dbraw/zinc/81/79/59/537817959.db2.gz NHVUNTHDTNVOFP-UHFFFAOYSA-N 2 0 156.273 1.080 10 0 ADAERP CCC[N@H+](CC)CCC[NH2+]C1CC1 37478558 537818074 /nfs/dbraw/zinc/81/80/74/537818074.db2.gz ATQPRCUBJJGXBM-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 37484165 537818255 /nfs/dbraw/zinc/81/82/55/537818255.db2.gz ZMTRDKWBALXLCY-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C1CC[NH+](CCC[NH2+]C2CC2)CC1 37478521 537818283 /nfs/dbraw/zinc/81/82/83/537818283.db2.gz WAFKTLOEBXCNQN-UHFFFAOYSA-N 2 0 182.311 1.614 10 0 ADAERP CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]21 685947391 537818289 /nfs/dbraw/zinc/81/82/89/537818289.db2.gz MSAWJBSQDQKWEA-SRVKXCTJSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484283 537818470 /nfs/dbraw/zinc/81/84/70/537818470.db2.gz BXDYRUOBRAILPV-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[NH2+]C[C@H](C[NH3+])C1CCC1 685947091 537818507 /nfs/dbraw/zinc/81/85/07/537818507.db2.gz REESCQUDCFGXNM-JTQLQIEISA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 37484163 537818623 /nfs/dbraw/zinc/81/86/23/537818623.db2.gz ZMTRDKWBALXLCY-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]C1CCC(C)(C[NH3+])CC1 685946959 537818764 /nfs/dbraw/zinc/81/87/64/537818764.db2.gz XSOMVYYKLNPTQA-UHFFFAOYSA-N 2 0 156.273 1.113 10 0 ADAERP CC[NH2+]C[C@H]([NH3+])C1CCCCCC1 685946933 537818808 /nfs/dbraw/zinc/81/88/08/537818808.db2.gz GXCNFAUKSKJOPP-NSHDSACASA-N 2 0 184.327 1.894 10 0 ADAERP CC[NH2+]Cc1ccc2c(c1)C[C@@H]([NH3+])C2 685949510 537826127 /nfs/dbraw/zinc/82/61/27/537826127.db2.gz SHJKMPRQTUTRAC-LBPRGKRZSA-N 2 0 190.290 1.222 10 0 ADAERP CC[NH2+]C1CCC(C)(C[NH3+])CC1 685946941 537818890 /nfs/dbraw/zinc/81/88/90/537818890.db2.gz XLMLNFHMYKHJGG-UHFFFAOYSA-N 2 0 170.300 1.504 10 0 ADAERP CC[NH2+]C[C@@H]([NH3+])C1CCCCCC1 685946932 537820035 /nfs/dbraw/zinc/82/00/35/537820035.db2.gz GXCNFAUKSKJOPP-LLVKDONJSA-N 2 0 184.327 1.894 10 0 ADAERP C[NH2+]C[C@H]1CC12CCC([NH3+])CC2 685946943 537820171 /nfs/dbraw/zinc/82/01/71/537820171.db2.gz XNGACCPFFOERRM-XNWIYYODSA-N 2 0 168.284 1.113 10 0 ADAERP CC[NH2+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 685947397 537820284 /nfs/dbraw/zinc/82/02/84/537820284.db2.gz MSAWJBSQDQKWEA-WOPDTQHZSA-N 2 0 196.338 1.764 10 0 ADAERP CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]21 685947393 537820398 /nfs/dbraw/zinc/82/03/98/537820398.db2.gz MSAWJBSQDQKWEA-TUAOUCFPSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+]C[C@@H]1CC12CCC([NH3+])CC2 685946942 537820664 /nfs/dbraw/zinc/82/06/64/537820664.db2.gz XNGACCPFFOERRM-IDKOKCKLSA-N 2 0 168.284 1.113 10 0 ADAERP CC(C)[NH2+]C[C@@H](C[NH3+])C1CCC1 685947093 537820863 /nfs/dbraw/zinc/82/08/63/537820863.db2.gz REESCQUDCFGXNM-SNVBAGLBSA-N 2 0 170.300 1.359 10 0 ADAERP CC[NH2+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 685947394 537820995 /nfs/dbraw/zinc/82/09/95/537820995.db2.gz MSAWJBSQDQKWEA-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP C1C[NH2+]C[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 685947557 537822216 /nfs/dbraw/zinc/82/22/16/537822216.db2.gz PCMRLIVCMXGTMB-HBNTYKKESA-N 2 0 180.295 1.128 10 0 ADAERP C1C[NH2+]C[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 685947558 537822617 /nfs/dbraw/zinc/82/26/17/537822617.db2.gz PCMRLIVCMXGTMB-MXWKQRLJSA-N 2 0 180.295 1.128 10 0 ADAERP C1C[NH2+]C[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 685947551 537822621 /nfs/dbraw/zinc/82/26/21/537822621.db2.gz PCMRLIVCMXGTMB-AXFHLTTASA-N 2 0 180.295 1.128 10 0 ADAERP C1C[NH2+]C[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 685947556 537822701 /nfs/dbraw/zinc/82/27/01/537822701.db2.gz PCMRLIVCMXGTMB-GMTAPVOTSA-N 2 0 180.295 1.128 10 0 ADAERP C[NH2+]C[C@@H](C[NH3+])C1CCCCCC1 685947761 537823131 /nfs/dbraw/zinc/82/31/31/537823131.db2.gz ZQLFNCXAJCTCKD-LLVKDONJSA-N 2 0 184.327 1.751 10 0 ADAERP C[NH2+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]21 685948143 537823258 /nfs/dbraw/zinc/82/32/58/537823258.db2.gz YSZUPQIOFTUPHE-AXFHLTTASA-N 2 0 182.311 1.374 10 0 ADAERP C[NH2+]C[C@H](C[NH3+])C1CCCCCC1 685947772 537823677 /nfs/dbraw/zinc/82/36/77/537823677.db2.gz ZQLFNCXAJCTCKD-NSHDSACASA-N 2 0 184.327 1.751 10 0 ADAERP C[NH2+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 685948146 537823847 /nfs/dbraw/zinc/82/38/47/537823847.db2.gz YSZUPQIOFTUPHE-VWYCJHECSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@H]([NH3+])C[N@H+](C)CC1CC1 37925730 537823903 /nfs/dbraw/zinc/82/39/03/537823903.db2.gz CCGYBOVRMBZFAG-NSHDSACASA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]21 685948144 537824108 /nfs/dbraw/zinc/82/41/08/537824108.db2.gz YSZUPQIOFTUPHE-DCAQKATOSA-N 2 0 182.311 1.374 10 0 ADAERP C[NH2+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 685948145 537824134 /nfs/dbraw/zinc/82/41/34/537824134.db2.gz YSZUPQIOFTUPHE-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C 37911197 537824181 /nfs/dbraw/zinc/82/41/81/537824181.db2.gz SKONJNPVIMQPCM-WDEREUQCSA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@H]([NH3+])C[NH2+]C(C)(C)CC 685948661 537825742 /nfs/dbraw/zinc/82/57/42/537825742.db2.gz SKCLQCNCKOIFAB-QMMMGPOBSA-N 2 0 158.289 1.502 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C 37911196 537826321 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CCGYBOVRMBZFAG-LLVKDONJSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[NH2+]CC1([C@@H]2CCC[NH2+]C2)CC1 685949385 537827711 /nfs/dbraw/zinc/82/77/11/537827711.db2.gz QWOFTUDLXGANJF-LLVKDONJSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[NH2+]C[C@H]1C[C@@H]2[C@H]([NH3+])C[C@H]2C1 685950556 537828221 /nfs/dbraw/zinc/82/82/21/537828221.db2.gz TWTZVVSTDCRJOD-CHWFTXMASA-N 2 0 182.311 1.358 10 0 ADAERP CC[NH2+]C[C@H](C[NH3+])c1cccc(C)c1 685949735 537828518 /nfs/dbraw/zinc/82/85/18/537828518.db2.gz WLHWPNFGFZSCHN-LBPRGKRZSA-N 2 0 192.306 1.647 10 0 ADAERP CC[N@H+](C(C)C)C1[C@@H](C)C[NH2+]C[C@@H]1C 685950885 537831653 /nfs/dbraw/zinc/83/16/53/537831653.db2.gz GXVACAHJILRASO-QWRGUYRKSA-N 2 0 198.354 1.961 10 0 ADAERP CC(C)[NH2+]C[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 685950559 537828759 /nfs/dbraw/zinc/82/87/59/537828759.db2.gz TWTZVVSTDCRJOD-GWOFURMSSA-N 2 0 182.311 1.358 10 0 ADAERP CC[NH2+]CC[C@@H]([NH3+])CC(C)C 685949882 537828844 /nfs/dbraw/zinc/82/88/44/537828844.db2.gz VFQPNUQLEQPKLH-SECBINFHSA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)[NH2+]C[C@H]1C[C@@H]2[C@@H]([NH3+])C[C@H]2C1 685950560 537829566 /nfs/dbraw/zinc/82/95/66/537829566.db2.gz TWTZVVSTDCRJOD-ZNSHCXBVSA-N 2 0 182.311 1.358 10 0 ADAERP CC(C)[NH2+]C[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 685950558 537829590 /nfs/dbraw/zinc/82/95/90/537829590.db2.gz TWTZVVSTDCRJOD-DBIOUOCHSA-N 2 0 182.311 1.358 10 0 ADAERP CC[NH2+]C[C@@H](C[NH3+])c1cccc(C)c1 685949731 537830031 /nfs/dbraw/zinc/83/00/31/537830031.db2.gz WLHWPNFGFZSCHN-GFCCVEGCSA-N 2 0 192.306 1.647 10 0 ADAERP CC(C)C[C@H]([NH3+])CC[NH2+]C(C)C 685949962 537830073 /nfs/dbraw/zinc/83/00/73/537830073.db2.gz XUMRLWOXDXEZDN-SNVBAGLBSA-N 2 0 172.316 1.748 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H](C)[C@@H]1[N@H+]1CCC[C@@H]1C 685951762 537830680 /nfs/dbraw/zinc/83/06/80/537830680.db2.gz XNXOXNATOYBYIW-WHOHXGKFSA-N 2 0 196.338 1.715 10 0 ADAERP CC[N@H+](C(C)C)C1[C@H](C)C[NH2+]C[C@H]1C 685950884 537830713 /nfs/dbraw/zinc/83/07/13/537830713.db2.gz GXVACAHJILRASO-GHMZBOCLSA-N 2 0 198.354 1.961 10 0 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YTDDSOLEVDPOSD-JTQLQIEISA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 725241847 537893649 /nfs/dbraw/zinc/89/36/49/537893649.db2.gz SEQVGCMSWCTWPK-WDEREUQCSA-N 2 0 182.311 1.611 10 0 ADAERP CC(C)[NH2+][C@@H]1C[C@@H]2CCCC[N@@H+]2C1 725241845 537893902 /nfs/dbraw/zinc/89/39/02/537893902.db2.gz SEQVGCMSWCTWPK-MNOVXSKESA-N 2 0 182.311 1.611 10 0 ADAERP CC[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 725242003 537894005 /nfs/dbraw/zinc/89/40/05/537894005.db2.gz ZPIPTWNXECEKJQ-VHSXEESVSA-N 2 0 168.284 1.223 10 0 ADAERP CCC[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 725241991 537894175 /nfs/dbraw/zinc/89/41/75/537894175.db2.gz YUFVYALGKDEKFV-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCCCCC2)C1 85014307 537912511 /nfs/dbraw/zinc/91/25/11/537912511.db2.gz OZQNHXNMEAZIAV-NWDGAFQWSA-N 2 0 196.338 1.990 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014847 537912947 /nfs/dbraw/zinc/91/29/47/537912947.db2.gz SQOOAJVSVIKHOX-BDAKNGLRSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014873 537913009 /nfs/dbraw/zinc/91/30/09/537913009.db2.gz QIQACHMOTIHNOC-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014835 537913275 /nfs/dbraw/zinc/91/32/75/537913275.db2.gz YUIJWSGYTSYIQH-BDAKNGLRSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC2)C1 85015692 537913462 /nfs/dbraw/zinc/91/34/62/537913462.db2.gz WXFIPZNKLIUGCP-DTWKUNHWSA-N 2 0 168.284 1.256 10 0 ADAERP CCCC[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014967 537913941 /nfs/dbraw/zinc/91/39/41/537913941.db2.gz ZUOSQIHZGOIJMI-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCCC2)C1 85014236 537914307 /nfs/dbraw/zinc/91/43/07/537914307.db2.gz OUJZBTHFNGMICG-VHSXEESVSA-N 2 0 168.284 1.210 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCCCC2)C1 85014396 537914400 /nfs/dbraw/zinc/91/44/00/537914400.db2.gz LOPQLPUZRIDBIN-WDEREUQCSA-N 2 0 182.311 1.600 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014826 537914720 /nfs/dbraw/zinc/91/47/20/537914720.db2.gz CRFPYJCMJIIIGK-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014870 537915146 /nfs/dbraw/zinc/91/51/46/537915146.db2.gz QIQACHMOTIHNOC-BBBLOLIVSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014899 537915660 /nfs/dbraw/zinc/91/56/60/537915660.db2.gz SPERZZYHMTWVNM-ZJUUUORDSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+][C@@H]1C[NH2+]C[C@@H]1CC1CCCCC1 725253710 537917578 /nfs/dbraw/zinc/91/75/78/537917578.db2.gz HMSFDEMPVLBBPM-WDEREUQCSA-N 2 0 182.311 1.504 10 0 ADAERP CCC[N@@H+]1CC[C@@H]2CC[NH2+]C[C@@H]21 725255409 537917761 /nfs/dbraw/zinc/91/77/61/537917761.db2.gz PYZHHPLDVKXMJX-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)(C)CC[C@@H]1C[NH2+]C[C@@H]1[NH3+] 725253991 537917913 /nfs/dbraw/zinc/91/79/13/537917913.db2.gz XWQKHTWFROPVID-BDAKNGLRSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+][C@@H]1C[NH2+]C[C@@H]1CC1CCCC1 725253936 537917951 /nfs/dbraw/zinc/91/79/51/537917951.db2.gz SBINOKQUQSWBSP-VHSXEESVSA-N 2 0 168.284 1.113 10 0 ADAERP CCC[N@@H+]1CC[C@H]2CC[NH2+]C[C@H]21 725255406 537918051 /nfs/dbraw/zinc/91/80/51/537918051.db2.gz PYZHHPLDVKXMJX-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP CCC[N@@H+]1CC[C@@H]2CC[NH2+]C[C@H]21 725255410 537919049 /nfs/dbraw/zinc/91/90/49/537919049.db2.gz PYZHHPLDVKXMJX-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CCC[N@@H+]1CC[C@H]2CC[NH2+]C[C@@H]21 725255412 537919367 /nfs/dbraw/zinc/91/93/67/537919367.db2.gz PYZHHPLDVKXMJX-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2CC[NH2+]C[C@@H]21 725255478 537922080 /nfs/dbraw/zinc/92/20/80/537922080.db2.gz UBOUSVNQJPFSSO-UWVGGRQHSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2CC[NH2+]C[C@@H]21 725255481 537922240 /nfs/dbraw/zinc/92/22/40/537922240.db2.gz UBOUSVNQJPFSSO-ZJUUUORDSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2CC[NH2+]C[C@H]21 725255477 537922370 /nfs/dbraw/zinc/92/23/70/537922370.db2.gz UBOUSVNQJPFSSO-NXEZZACHSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2CC[NH2+]C[C@H]21 725255479 537922976 /nfs/dbraw/zinc/92/29/76/537922976.db2.gz UBOUSVNQJPFSSO-VHSXEESVSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)([NH3+])[C@H]1C[NH+]2CCC1CC2 725261298 537924525 /nfs/dbraw/zinc/92/45/25/537924525.db2.gz DDOMMMHJFYLUSM-VIFPVBQESA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)([NH3+])[C@@H]1C[NH+]2CCC1CC2 725261297 537924631 /nfs/dbraw/zinc/92/46/31/537924631.db2.gz DDOMMMHJFYLUSM-SECBINFHSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)(C[NH3+])[C@H]1C[NH+]2CCC1CC2 725261437 537926388 /nfs/dbraw/zinc/92/63/88/537926388.db2.gz NBUMRZVYQAXOBA-JTQLQIEISA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)(C[NH3+])[C@@H]1C[NH+]2CCC1CC2 725261438 537926470 /nfs/dbraw/zinc/92/64/70/537926470.db2.gz NBUMRZVYQAXOBA-SNVBAGLBSA-N 2 0 182.311 1.313 10 0 ADAERP CCC[NH2+]C[C@@H]1C[NH2+]CC12CCC2 725268864 537927954 /nfs/dbraw/zinc/92/79/54/537927954.db2.gz DEEYVVIJVWXSNY-SNVBAGLBSA-N 2 0 182.311 1.376 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1C[NH2+]CC12CCC2 725269324 537928014 /nfs/dbraw/zinc/92/80/14/537928014.db2.gz QWYAFVJGHDPNOG-JTQLQIEISA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)C[NH2+]C[C@H]1C[NH2+]CC12CCC2 725269546 537928052 /nfs/dbraw/zinc/92/80/52/537928052.db2.gz VMMSIPYJAXDHPO-NSHDSACASA-N 2 0 196.338 1.622 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1C[NH2+]CC12CCC2 725269545 537928133 /nfs/dbraw/zinc/92/81/33/537928133.db2.gz VMMSIPYJAXDHPO-LLVKDONJSA-N 2 0 196.338 1.622 10 0 ADAERP C1CC([NH2+]C[C@@H]2C[NH2+]CC23CCC3)C1 725268819 537928418 /nfs/dbraw/zinc/92/84/18/537928418.db2.gz CAFGZIKPRMNRLK-JTQLQIEISA-N 2 0 194.322 1.518 10 0 ADAERP C1CC2(C1)C[NH2+]C[C@@H]2C[NH2+]C1CC1 725269446 537928442 /nfs/dbraw/zinc/92/84/42/537928442.db2.gz UGRBQQQXKJCXFS-SECBINFHSA-N 2 0 180.295 1.128 10 0 ADAERP C1CC2(C1)C[NH2+]C[C@H]2C[NH2+]C1CC1 725269447 537928480 /nfs/dbraw/zinc/92/84/80/537928480.db2.gz UGRBQQQXKJCXFS-VIFPVBQESA-N 2 0 180.295 1.128 10 0 ADAERP CC[NH+](CC)C1CCC2(CC1)C[C@H]2[NH3+] 725269790 537928676 /nfs/dbraw/zinc/92/86/76/537928676.db2.gz DMRFPHHOVMYLQD-MOENNCHZSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[NH2+]C[C@H]1C[NH2+]CC12CCC2 725268863 537928715 /nfs/dbraw/zinc/92/87/15/537928715.db2.gz DEEYVVIJVWXSNY-JTQLQIEISA-N 2 0 182.311 1.376 10 0 ADAERP CCC[N@@H+]1CCCCC[NH2+]CCC1 725262230 537928870 /nfs/dbraw/zinc/92/88/70/537928870.db2.gz HAUPKLKRRBVBHM-UHFFFAOYSA-N 2 0 184.327 1.862 10 0 ADAERP C1CC([NH2+]C[C@H]2C[NH2+]CC23CCC3)C1 725268820 537929080 /nfs/dbraw/zinc/92/90/80/537929080.db2.gz CAFGZIKPRMNRLK-SNVBAGLBSA-N 2 0 194.322 1.518 10 0 ADAERP CC[N@@H+]1CCCCCC[NH2+]CCC1 725262404 537929167 /nfs/dbraw/zinc/92/91/67/537929167.db2.gz QPAUEFVKEAZZCC-UHFFFAOYSA-N 2 0 184.327 1.862 10 0 ADAERP CCCC[NH2+]C[C@H]1C[NH2+]CC12CCC2 725268944 537929706 /nfs/dbraw/zinc/92/97/06/537929706.db2.gz HLGADQPBBQSEBM-NSHDSACASA-N 2 0 196.338 1.766 10 0 ADAERP CCCC[NH2+]C[C@@H]1C[NH2+]CC12CCC2 725268943 537929823 /nfs/dbraw/zinc/92/98/23/537929823.db2.gz HLGADQPBBQSEBM-LLVKDONJSA-N 2 0 196.338 1.766 10 0 ADAERP CC[NH+](CC)C1CCC2(CC1)C[C@@H]2[NH3+] 725269789 537929859 /nfs/dbraw/zinc/92/98/59/537929859.db2.gz DMRFPHHOVMYLQD-CXQJBGSLSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+][C@H]1CC12CCC([NH2+]C1CC1)CC2 725269785 537929863 /nfs/dbraw/zinc/92/98/63/537929863.db2.gz DGWTXHTZIKSNBF-YVNMAJEFSA-N 2 0 180.295 1.398 10 0 ADAERP [NH3+][C@@H]1CC12CCC([NH2+]C1CC1)CC2 725269784 537929884 /nfs/dbraw/zinc/92/98/84/537929884.db2.gz DGWTXHTZIKSNBF-HSOILSAZSA-N 2 0 180.295 1.398 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1C[NH2+]CC12CCC2 725269325 537930356 /nfs/dbraw/zinc/93/03/56/537930356.db2.gz QWYAFVJGHDPNOG-SNVBAGLBSA-N 2 0 196.338 1.764 10 0 ADAERP CC[N@@H+]1CCCCC[NH2+]CCC1 725262413 537930714 /nfs/dbraw/zinc/93/07/14/537930714.db2.gz NCVPMXIARZKUAE-UHFFFAOYSA-N 2 0 170.300 1.472 10 0 ADAERP CC(C)[NH2+]C[C@@]12CCCC[C@H]1[NH2+]CC2 725271010 537931484 /nfs/dbraw/zinc/93/14/84/537931484.db2.gz VEEZKIYGXUYKTN-NEPJUHHUSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)[N@H+](C)C1CCC2(CC1)C[C@@H]2[NH3+] 725270142 537931638 /nfs/dbraw/zinc/93/16/38/537931638.db2.gz HRSKHLUAFRLKHY-CXQJBGSLSA-N 2 0 196.338 1.987 10 0 ADAERP CC[NH2+]C[C@]12CCCC[C@@H]1[NH2+]CC2 725270584 537931708 /nfs/dbraw/zinc/93/17/08/537931708.db2.gz PVKHEZYLLHXHNT-WDEREUQCSA-N 2 0 182.311 1.518 10 0 ADAERP CCC[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725270414 537931775 /nfs/dbraw/zinc/93/17/75/537931775.db2.gz MNNJQWOQOFWTMC-HSOILSAZSA-N 2 0 182.311 1.646 10 0 ADAERP [NH3+][C@H]1CC12CCC([NH+]1CCCC1)CC2 725270729 537931850 /nfs/dbraw/zinc/93/18/50/537931850.db2.gz RUTSXKLRGRSNRE-CXQJBGSLSA-N 2 0 194.322 1.742 10 0 ADAERP CC(C)C[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725271254 537932054 /nfs/dbraw/zinc/93/20/54/537932054.db2.gz ZQADNPHAQSDZSZ-CXQJBGSLSA-N 2 0 196.338 1.892 10 0 ADAERP C[NH2+]C[C@]12CCCC[C@H]1[NH2+]CC2 725270688 537932180 /nfs/dbraw/zinc/93/21/80/537932180.db2.gz QWEISGASWWYFBM-NXEZZACHSA-N 2 0 168.284 1.128 10 0 ADAERP CC(C)[NH2+]C[C@@]12CCCC[C@@H]1[NH2+]CC2 725271012 537932159 /nfs/dbraw/zinc/93/21/59/537932159.db2.gz VEEZKIYGXUYKTN-RYUDHWBXSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)[NH2+]C[C@]12CCCC[C@H]1[NH2+]CC2 725271013 537932238 /nfs/dbraw/zinc/93/22/38/537932238.db2.gz VEEZKIYGXUYKTN-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725271043 537932220 /nfs/dbraw/zinc/93/22/20/537932220.db2.gz VNOQDCCBKKIBCZ-HSOILSAZSA-N 2 0 182.311 1.644 10 0 ADAERP CC(C)C[NH2+][C@]12CCCC[C@H]1[NH2+]CC2 725272446 537932276 /nfs/dbraw/zinc/93/22/76/537932276.db2.gz QEQFZGQHKCBSIA-NEPJUHHUSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)[NH2+]C[C@](C)([NH3+])C(C)C 725271047 537932431 /nfs/dbraw/zinc/93/24/31/537932431.db2.gz YSYBDDREZOKYAR-VIFPVBQESA-N 2 0 158.289 1.358 10 0 ADAERP C[NH2+]CC1(CCCC[NH3+])CCC1 725271884 537932621 /nfs/dbraw/zinc/93/26/21/537932621.db2.gz KBJHZXJBNZNPAW-UHFFFAOYSA-N 2 0 170.300 1.505 10 0 ADAERP CC[NH2+]C[C@@]12CCCC[C@@H]1[NH2+]CC2 725270583 537932728 /nfs/dbraw/zinc/93/27/28/537932728.db2.gz PVKHEZYLLHXHNT-QWRGUYRKSA-N 2 0 182.311 1.518 10 0 ADAERP CC(C)C[NH2+][C@@]12CCCC[C@@H]1[NH2+]CC2 725272447 537932777 /nfs/dbraw/zinc/93/27/77/537932777.db2.gz QEQFZGQHKCBSIA-NWDGAFQWSA-N 2 0 196.338 1.907 10 0 ADAERP CC[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725270488 537932810 /nfs/dbraw/zinc/93/28/10/537932810.db2.gz OVJQKDBTKQVNCQ-KYHHOPLUSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725271045 537932917 /nfs/dbraw/zinc/93/29/17/537932917.db2.gz VNOQDCCBKKIBCZ-YVNMAJEFSA-N 2 0 182.311 1.644 10 0 ADAERP CC[NH2+]C[C@@]12CCCC[C@H]1[NH2+]CC2 725270582 537932938 /nfs/dbraw/zinc/93/29/38/537932938.db2.gz PVKHEZYLLHXHNT-MNOVXSKESA-N 2 0 182.311 1.518 10 0 ADAERP [NH3+][C@@H]1CC12CCC([NH2+]C1CCC1)CC2 725270500 537933009 /nfs/dbraw/zinc/93/30/09/537933009.db2.gz PHDJGBLYZUROPJ-MOENNCHZSA-N 2 0 194.322 1.789 10 0 ADAERP CC(C)[N@H+](C)C1CCC2(CC1)C[C@H]2[NH3+] 725270143 537933113 /nfs/dbraw/zinc/93/31/13/537933113.db2.gz HRSKHLUAFRLKHY-MOENNCHZSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)C[NH2+][C@@]12CCCC[C@H]1[NH2+]CC2 725272449 537933184 /nfs/dbraw/zinc/93/31/84/537933184.db2.gz QEQFZGQHKCBSIA-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP [NH3+][C@H]1CC12CCC([NH2+]C1CCC1)CC2 725270499 537933500 /nfs/dbraw/zinc/93/35/00/537933500.db2.gz PHDJGBLYZUROPJ-CXQJBGSLSA-N 2 0 194.322 1.789 10 0 ADAERP CC[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725270487 537933658 /nfs/dbraw/zinc/93/36/58/537933658.db2.gz OVJQKDBTKQVNCQ-HWOCKDDLSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)C[NH2+][C@]12CCCC[C@@H]1[NH2+]CC2 725272448 537933789 /nfs/dbraw/zinc/93/37/89/537933789.db2.gz QEQFZGQHKCBSIA-RYUDHWBXSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)C[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 725271256 537933810 /nfs/dbraw/zinc/93/38/10/537933810.db2.gz ZQADNPHAQSDZSZ-MOENNCHZSA-N 2 0 196.338 1.892 10 0 ADAERP CC[NH2+]C[C@]12CCCC[C@H]1[NH2+]CC2 725270581 537933844 /nfs/dbraw/zinc/93/38/44/537933844.db2.gz PVKHEZYLLHXHNT-GHMZBOCLSA-N 2 0 182.311 1.518 10 0 ADAERP C[NH2+]C[C@@]12CCCC[C@H]1[NH2+]CC2 725270691 537934139 /nfs/dbraw/zinc/93/41/39/537934139.db2.gz QWEISGASWWYFBM-ZJUUUORDSA-N 2 0 168.284 1.128 10 0 ADAERP CC[NH2+]CC1(CCCC[NH3+])CCC1 725272312 537934195 /nfs/dbraw/zinc/93/41/95/537934195.db2.gz OQYYRPILGSCHET-UHFFFAOYSA-N 2 0 184.327 1.895 10 0 ADAERP C[NH2+]C[C@]12CCCC[C@@H]1[NH2+]CC2 725270690 537934282 /nfs/dbraw/zinc/93/42/82/537934282.db2.gz QWEISGASWWYFBM-VHSXEESVSA-N 2 0 168.284 1.128 10 0 ADAERP C[NH2+]C[C@@]12CCCC[C@@H]1[NH2+]CC2 725270689 537934451 /nfs/dbraw/zinc/93/44/51/537934451.db2.gz QWEISGASWWYFBM-UWVGGRQHSA-N 2 0 168.284 1.128 10 0 ADAERP CC(C)[NH2+]C[C@]12CCCC[C@@H]1[NH2+]CC2 725271011 537934497 /nfs/dbraw/zinc/93/44/97/537934497.db2.gz VEEZKIYGXUYKTN-NWDGAFQWSA-N 2 0 196.338 1.907 10 0 ADAERP CCC[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 725270415 537934573 /nfs/dbraw/zinc/93/45/73/537934573.db2.gz MNNJQWOQOFWTMC-YVNMAJEFSA-N 2 0 182.311 1.646 10 0 ADAERP [NH3+][C@@H]1CC12CCC([NH+]1CCCC1)CC2 725270731 537934582 /nfs/dbraw/zinc/93/45/82/537934582.db2.gz RUTSXKLRGRSNRE-MOENNCHZSA-N 2 0 194.322 1.742 10 0 ADAERP CC[N@H+](C)CCC1C[C@@H]2CC[C@H](C1)[NH2+]2 86573164 537934644 /nfs/dbraw/zinc/93/46/44/537934644.db2.gz ZEXMZLFKPKBVGA-YOGCLGLASA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[NH2+]C[C@@](C)([NH3+])C(C)C 725271044 537934719 /nfs/dbraw/zinc/93/47/19/537934719.db2.gz YSYBDDREZOKYAR-SECBINFHSA-N 2 0 158.289 1.358 10 0 ADAERP C1CC[C@@]2([NH2+]CC3CC3)CC[NH2+][C@H]2C1 725272743 537935569 /nfs/dbraw/zinc/93/55/69/537935569.db2.gz UNKQZWUZMPLJDR-NWDGAFQWSA-N 2 0 194.322 1.661 10 0 ADAERP C1CC[C@]2([NH2+]CC3CC3)CC[NH2+][C@@H]2C1 725272741 537936069 /nfs/dbraw/zinc/93/60/69/537936069.db2.gz UNKQZWUZMPLJDR-NEPJUHHUSA-N 2 0 194.322 1.661 10 0 ADAERP C1CC[C@]2([NH2+]CC3CC3)CC[NH2+][C@H]2C1 725272745 537936082 /nfs/dbraw/zinc/93/60/82/537936082.db2.gz UNKQZWUZMPLJDR-RYUDHWBXSA-N 2 0 194.322 1.661 10 0 ADAERP CC[NH2+]Cc1nc(CC[NH3+])sc1C 725272484 537936319 /nfs/dbraw/zinc/93/63/19/537936319.db2.gz GYRZYGGVYTYHFP-UHFFFAOYSA-N 2 0 199.323 1.062 10 0 ADAERP Cc1sc(C[NH3+])nc1C[NH2+]C(C)C 725272960 537936348 /nfs/dbraw/zinc/93/63/48/537936348.db2.gz OVOJYJAZFMHEGP-UHFFFAOYSA-N 2 0 199.323 1.408 10 0 ADAERP CCC[NH2+][C@]12CCCC[C@H]1[NH2+]CC2 725272705 537936682 /nfs/dbraw/zinc/93/66/82/537936682.db2.gz UEKHOACFHOCFAD-MNOVXSKESA-N 2 0 182.311 1.661 10 0 ADAERP CCC[NH2+][C@]12CCCC[C@@H]1[NH2+]CC2 725272707 537937205 /nfs/dbraw/zinc/93/72/05/537937205.db2.gz UEKHOACFHOCFAD-QWRGUYRKSA-N 2 0 182.311 1.661 10 0 ADAERP C1CC[C@@]2([NH2+]CC3CC3)CC[NH2+][C@@H]2C1 725272746 537937333 /nfs/dbraw/zinc/93/73/33/537937333.db2.gz UNKQZWUZMPLJDR-VXGBXAGGSA-N 2 0 194.322 1.661 10 0 ADAERP CCC[NH2+][C@@]12CCCC[C@H]1[NH2+]CC2 725272704 537937368 /nfs/dbraw/zinc/93/73/68/537937368.db2.gz UEKHOACFHOCFAD-GHMZBOCLSA-N 2 0 182.311 1.661 10 0 ADAERP CC[NH2+]Cc1nc(C[NH3+])sc1C 725272676 537937414 /nfs/dbraw/zinc/93/74/14/537937414.db2.gz JQXDWCMGCPVSND-UHFFFAOYSA-N 2 0 185.296 1.020 10 0 ADAERP CCC[NH2+][C@@]12CCCC[C@@H]1[NH2+]CC2 725272709 537937454 /nfs/dbraw/zinc/93/74/54/537937454.db2.gz 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/nfs/dbraw/zinc/96/78/59/537967859.db2.gz YKYDXQMVFXNPPW-VHSXEESVSA-N 2 0 182.311 1.517 10 0 ADAERP C[NH+](C)Cc1cc(Cl)cc(C[NH3+])c1 114256132 537968687 /nfs/dbraw/zinc/96/86/87/537968687.db2.gz FFZHTTRRFFWYJD-UHFFFAOYSA-N 2 0 198.697 1.860 10 0 ADAERP C[NH2+]C[C@@H](C[NH3+])c1cccc(C)c1 149167362 538007555 /nfs/dbraw/zinc/00/75/55/538007555.db2.gz JETJBPUMVZYHRW-LLVKDONJSA-N 2 0 178.279 1.257 10 0 ADAERP C[NH2+]C[C@H](C[NH3+])c1cccc(C)c1 149167513 538010592 /nfs/dbraw/zinc/01/05/92/538010592.db2.gz JETJBPUMVZYHRW-NSHDSACASA-N 2 0 178.279 1.257 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 156083658 538011787 /nfs/dbraw/zinc/01/17/87/538011787.db2.gz IHSFMLQXQNHMHC-KKOKHZNYSA-N 2 0 194.322 1.611 10 0 ADAERP CC[N@H+](C)Cc1cc(F)cc(C[NH3+])c1 162822295 538076811 /nfs/dbraw/zinc/07/68/11/538076811.db2.gz WULZBSDRQKRLGZ-UHFFFAOYSA-N 2 0 196.269 1.736 10 0 ADAERP C[NH+](C)Cc1cc(F)cc(C[NH3+])c1 162818588 538079101 /nfs/dbraw/zinc/07/91/01/538079101.db2.gz 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OSPROMHOHDWJAF-NOOOWODRSA-N 2 0 196.338 1.715 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)[C@H](C)C1 252713272 538272529 /nfs/dbraw/zinc/27/25/29/538272529.db2.gz OSPROMHOHDWJAF-WISYIIOYSA-N 2 0 196.338 1.715 10 0 ADAERP CCC[N@H+](CC)[C@@H]1CC[NH2+][C@H](C)C1 252964686 538284771 /nfs/dbraw/zinc/28/47/71/538284771.db2.gz WSDCGVVBLQMADT-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[N@H+](CC)[C@H]1CC[NH2+][C@H](C)C1 252964688 538285243 /nfs/dbraw/zinc/28/52/43/538285243.db2.gz WSDCGVVBLQMADT-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+]Cc1cccc2c1C[NH2+]C2 258160243 538288309 /nfs/dbraw/zinc/28/83/09/538288309.db2.gz NPAZTXIWORXJOB-UHFFFAOYSA-N 2 0 176.263 1.399 10 0 ADAERP CC(C)[NH2+]Cc1cccc2c1C[NH2+]C2 258351442 538288588 /nfs/dbraw/zinc/28/85/88/538288588.db2.gz ZLLPDFDXIMPRCB-UHFFFAOYSA-N 2 0 190.290 1.788 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]CC[C@@H](C)[NH3+] 379327240 538347937 /nfs/dbraw/zinc/34/79/37/538347937.db2.gz JUHGFHYFPPABBV-NXEZZACHSA-N 2 0 172.316 1.748 10 0 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379364240 538366172 /nfs/dbraw/zinc/36/61/72/538366172.db2.gz HKMSJNDQHBYZOB-QWRGUYRKSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 379364238 538366859 /nfs/dbraw/zinc/36/68/59/538366859.db2.gz HKMSJNDQHBYZOB-MNOVXSKESA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 379364236 538366873 /nfs/dbraw/zinc/36/68/73/538366873.db2.gz HKMSJNDQHBYZOB-GHMZBOCLSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 379364243 538367710 /nfs/dbraw/zinc/36/77/10/538367710.db2.gz HKMSJNDQHBYZOB-WDEREUQCSA-N 2 0 184.327 1.620 10 0 ADAERP C[NH+](C)CCCC[NH2+]CC1(C)CC1 379379058 538373577 /nfs/dbraw/zinc/37/35/77/538373577.db2.gz ARDZFVMQNBXGNM-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]CCCC[NH+](C)C 379407107 538400877 /nfs/dbraw/zinc/40/08/77/538400877.db2.gz YBCKCOJHXVNKGX-GHMZBOCLSA-N 2 0 184.327 1.574 10 0 ADAERP C[C@H]1C[C@H]1C[NH2+]CCCC[NH+](C)C 379407109 538400902 /nfs/dbraw/zinc/40/09/02/538400902.db2.gz YBCKCOJHXVNKGX-QWRGUYRKSA-N 2 0 184.327 1.574 10 0 ADAERP C[C@H]1C[C@@H]1C[NH2+]CCCC[NH+](C)C 379407110 538401244 /nfs/dbraw/zinc/40/12/44/538401244.db2.gz YBCKCOJHXVNKGX-WDEREUQCSA-N 2 0 184.327 1.574 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]CCCC[NH+](C)C 379407108 538401932 /nfs/dbraw/zinc/40/19/32/538401932.db2.gz YBCKCOJHXVNKGX-MNOVXSKESA-N 2 0 184.327 1.574 10 0 ADAERP CCN1C[C@@H](C)[C@@H]([NH2+]CC(C)C)C1 379411220 538403076 /nfs/dbraw/zinc/40/30/76/538403076.db2.gz HUHZPRXYIPHTKD-MNOVXSKESA-N 2 0 184.327 1.572 10 0 ADAERP CCN1C[C@H](C)[C@H]([NH2+]CC(C)C)C1 379411222 538403095 /nfs/dbraw/zinc/40/30/95/538403095.db2.gz HUHZPRXYIPHTKD-WDEREUQCSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 379410094 538403202 /nfs/dbraw/zinc/40/32/02/538403202.db2.gz FKWUDPGAEMBVMX-GHMZBOCLSA-N 2 0 184.327 1.668 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 379410096 538403317 /nfs/dbraw/zinc/40/33/17/538403317.db2.gz FKWUDPGAEMBVMX-QWRGUYRKSA-N 2 0 184.327 1.668 10 0 ADAERP CCN1C[C@H](C)[C@@H]([NH2+]CC(C)C)C1 379411221 538403480 /nfs/dbraw/zinc/40/34/80/538403480.db2.gz HUHZPRXYIPHTKD-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP CCN1C[C@@H]([NH2+]CC(C)C)[C@H](C)C1 379411219 538403889 /nfs/dbraw/zinc/40/38/89/538403889.db2.gz HUHZPRXYIPHTKD-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 379410095 538404990 /nfs/dbraw/zinc/40/49/90/538404990.db2.gz FKWUDPGAEMBVMX-MNOVXSKESA-N 2 0 184.327 1.668 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 379410097 538405248 /nfs/dbraw/zinc/40/52/48/538405248.db2.gz FKWUDPGAEMBVMX-WDEREUQCSA-N 2 0 184.327 1.668 10 0 ADAERP CC(C)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C 379599219 538419742 /nfs/dbraw/zinc/41/97/42/538419742.db2.gz IZSQVIXVQLJTOT-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)CCC[NH2+][C@H]1CN(C)C[C@@H]1C 379599220 538420168 /nfs/dbraw/zinc/42/01/68/538420168.db2.gz IZSQVIXVQLJTOT-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)CCC[NH2+][C@H]1CN(C)C[C@H]1C 379599218 538420350 /nfs/dbraw/zinc/42/03/50/538420350.db2.gz IZSQVIXVQLJTOT-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)CCC[NH2+][C@@H]1CN(C)C[C@H]1C 379599221 538420973 /nfs/dbraw/zinc/42/09/73/538420973.db2.gz IZSQVIXVQLJTOT-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 388919736 538438634 /nfs/dbraw/zinc/43/86/34/538438634.db2.gz RIYGXLUINVDXKM-MWLCHTKSSA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 388919732 538438743 /nfs/dbraw/zinc/43/87/43/538438743.db2.gz RIYGXLUINVDXKM-GXSJLCMTSA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 388919738 538438822 /nfs/dbraw/zinc/43/88/22/538438822.db2.gz RIYGXLUINVDXKM-ONGXEEELSA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 388919734 538438825 /nfs/dbraw/zinc/43/88/25/538438825.db2.gz RIYGXLUINVDXKM-KOLCDFICSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CN(C)C[C@@H]1C 389270602 538440398 /nfs/dbraw/zinc/44/03/98/538440398.db2.gz LMBHOIQLUBLVQS-BJDJZHNGSA-N 2 0 198.354 1.961 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C 389270609 538440487 /nfs/dbraw/zinc/44/04/87/538440487.db2.gz LMBHOIQLUBLVQS-FIQHERPVSA-N 2 0 198.354 1.961 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+][C@H]1CN(C)C[C@H]1C 389270614 538440505 /nfs/dbraw/zinc/44/05/05/538440505.db2.gz LMBHOIQLUBLVQS-USZNOCQGSA-N 2 0 198.354 1.961 10 0 ADAERP C1C[C@@H]2C[NH2+]CC[C@H]2[C@@H]([NH2+]C2CC2)C1 667610818 538442140 /nfs/dbraw/zinc/44/21/40/538442140.db2.gz TVWPZQKRIXEONN-JLLWLGSASA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@@H]2C[NH2+]CC[C@@H]2[C@H]([NH2+]C2CC2)C1 667610817 538442158 /nfs/dbraw/zinc/44/21/58/538442158.db2.gz TVWPZQKRIXEONN-ADEWGFFLSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@@H]2C[NH2+]CC[C@@H]2[C@@H]([NH2+]C2CC2)C1 667610819 538442176 /nfs/dbraw/zinc/44/21/76/538442176.db2.gz TVWPZQKRIXEONN-USWWRNFRSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@@H]2C[NH2+]CC[C@H]2[C@H]([NH2+]C2CC2)C1 667610820 538442271 /nfs/dbraw/zinc/44/22/71/538442271.db2.gz TVWPZQKRIXEONN-YUSALJHKSA-N 2 0 194.322 1.517 10 0 ADAERP CCC[N@H+](C)Cc1cncc(C[NH3+])c1 669379011 538444901 /nfs/dbraw/zinc/44/49/01/538444901.db2.gz SCANOTHKNALYHR-UHFFFAOYSA-N 2 0 193.294 1.382 10 0 ADAERP [NH3+]Cc1ccc(Cl)c(C[NH3+])c1F 669378695 538444930 /nfs/dbraw/zinc/44/49/30/538444930.db2.gz MXFGAIIIVUKQQC-UHFFFAOYSA-N 2 0 188.633 1.397 10 0 ADAERP C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 669378749 538444923 /nfs/dbraw/zinc/44/49/23/538444923.db2.gz LEKJUVRHAXRXBH-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 669378750 538444855 /nfs/dbraw/zinc/44/48/55/538444855.db2.gz LEKJUVRHAXRXBH-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP C[N@H+](Cc1cncc(C[NH3+])c1)C1CC1 669379158 538445063 /nfs/dbraw/zinc/44/50/63/538445063.db2.gz VCSMSFIYWYUXRD-UHFFFAOYSA-N 2 0 191.278 1.135 10 0 ADAERP CCC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 669378953 538445156 /nfs/dbraw/zinc/44/51/56/538445156.db2.gz QGZPQYSOMKDEPK-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP CCC[N@H+](C)C[C@H]1CCCC[NH2+]C1 669378954 538445188 /nfs/dbraw/zinc/44/51/88/538445188.db2.gz QGZPQYSOMKDEPK-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@H]2C[NH2+]CC[C@@H]21 669383307 538446582 /nfs/dbraw/zinc/44/65/82/538446582.db2.gz RVQIOAJLHWDJMH-GARJFASQSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)[N@H+](C)Cc1cncc(C[NH3+])c1 669379163 538445256 /nfs/dbraw/zinc/44/52/56/538445256.db2.gz VFKPSVAFMHABKL-UHFFFAOYSA-N 2 0 193.294 1.381 10 0 ADAERP [NH3+]C[C@@H]1CCc2ccccc2[C@@H]1[NH3+] 669381647 538445527 /nfs/dbraw/zinc/44/55/27/538445527.db2.gz QHGFIWRCOUNYHP-GXSJLCMTSA-N 2 0 176.263 1.208 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2[C@H]([NH3+])CCC[C@H]2C1 669382200 538445593 /nfs/dbraw/zinc/44/55/93/538445593.db2.gz IPVABTIOBZPKAI-SDDRHHMPSA-N 2 0 196.338 1.844 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C3CC3)CC[C@H]21 669382305 538445598 /nfs/dbraw/zinc/44/55/98/538445598.db2.gz JTMRDSIVPQDEQL-YUSALJHKSA-N 2 0 194.322 1.598 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@H]2C1 669382202 538445586 /nfs/dbraw/zinc/44/55/86/538445586.db2.gz IPVABTIOBZPKAI-SRVKXCTJSA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)[N@H+](C)[C@@H]1CCC[C@@H](C[NH3+])C1 675053378 538447977 /nfs/dbraw/zinc/44/79/77/538447977.db2.gz JDCVRUWPIXAONB-GHMZBOCLSA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+]C[C@H]1CCc2ccccc2[C@H]1[NH3+] 669381648 538445892 /nfs/dbraw/zinc/44/58/92/538445892.db2.gz QHGFIWRCOUNYHP-KOLCDFICSA-N 2 0 176.263 1.208 10 0 ADAERP [NH3+]C[C@@H]1CCc2ccccc2[C@H]1[NH3+] 669381650 538445927 /nfs/dbraw/zinc/44/59/27/538445927.db2.gz QHGFIWRCOUNYHP-ONGXEEELSA-N 2 0 176.263 1.208 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 669382203 538445945 /nfs/dbraw/zinc/44/59/45/538445945.db2.gz IPVABTIOBZPKAI-WOPDTQHZSA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2[C@H](CCC[C@H]2[NH3+])C1 669382198 538445989 /nfs/dbraw/zinc/44/59/89/538445989.db2.gz IPVABTIOBZPKAI-GRYCIOLGSA-N 2 0 196.338 1.844 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](C3CC3)CC[C@@H]12 669382304 538446042 /nfs/dbraw/zinc/44/60/42/538446042.db2.gz JTMRDSIVPQDEQL-MVWJERBFSA-N 2 0 194.322 1.598 10 0 ADAERP [NH3+]C[C@H]1CCc2ccccc2[C@@H]1[NH3+] 669381649 538446068 /nfs/dbraw/zinc/44/60/68/538446068.db2.gz QHGFIWRCOUNYHP-MWLCHTKSSA-N 2 0 176.263 1.208 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@@H]2C[NH2+]CC[C@@H]21 669383310 538446199 /nfs/dbraw/zinc/44/61/99/538446199.db2.gz RVQIOAJLHWDJMH-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP CC[N@@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@H]2C1 669382858 538446215 /nfs/dbraw/zinc/44/62/15/538446215.db2.gz MVIUWRRFLNBOOB-DCAQKATOSA-N 2 0 182.311 1.456 10 0 ADAERP CC[N@@H+]1CC[C@@H]2[C@H]([NH3+])CCC[C@H]2C1 669382860 538446244 /nfs/dbraw/zinc/44/62/44/538446244.db2.gz MVIUWRRFLNBOOB-GARJFASQSA-N 2 0 182.311 1.456 10 0 ADAERP CC[N@@H+]1CC[C@H]2[C@H](CCC[C@H]2[NH3+])C1 669382862 538446391 /nfs/dbraw/zinc/44/63/91/538446391.db2.gz MVIUWRRFLNBOOB-OUAUKWLOSA-N 2 0 182.311 1.456 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@@H]2C[NH2+]CC[C@H]21 669383308 538446443 /nfs/dbraw/zinc/44/64/43/538446443.db2.gz RVQIOAJLHWDJMH-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@H]2C[NH2+]CC[C@H]21 669383309 538446506 /nfs/dbraw/zinc/44/65/06/538446506.db2.gz RVQIOAJLHWDJMH-HBNTYKKESA-N 2 0 182.311 1.374 10 0 ADAERP CC[N@@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 669382864 538446682 /nfs/dbraw/zinc/44/66/82/538446682.db2.gz MVIUWRRFLNBOOB-VWYCJHECSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]1CCCN(CC2=[NH+]CCCN2)C1 669384792 538446831 /nfs/dbraw/zinc/44/68/31/538446831.db2.gz GLVUCAWLSNZIRO-JTQLQIEISA-N 2 0 195.310 1.110 10 0 ADAERP CCC(C)(C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 669384951 538447093 /nfs/dbraw/zinc/44/70/93/538447093.db2.gz PFFQBWIJQQPZLU-ZJUUUORDSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1CCCN(CC2=[NH+]CCCN2)C1 669384793 538447262 /nfs/dbraw/zinc/44/72/62/538447262.db2.gz GLVUCAWLSNZIRO-SNVBAGLBSA-N 2 0 195.310 1.110 10 0 ADAERP C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 675051001 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GXTLIRCMWKJSDQ-UHFFFAOYSA-N 2 0 194.322 1.600 10 0 ADAERP CCC[N@H+](C(C)C)[C@H](C)CC[NH3+] 41042544 572209947 /nfs/dbraw/zinc/20/99/47/572209947.db2.gz QZBZLIHYMZVVIL-SNVBAGLBSA-N 2 0 172.316 1.844 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]CCC(F)F 308173366 572902340 /nfs/dbraw/zinc/90/23/40/572902340.db2.gz XWISXQRZSKNQNR-SSDOTTSWSA-N 2 0 180.242 1.359 10 0 ADAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CC[NH3+] 41042560 572210909 /nfs/dbraw/zinc/21/09/09/572210909.db2.gz FDQYMHHAPNVQAI-UWVGGRQHSA-N 2 0 172.316 1.702 10 0 ADAERP C[NH2+]C[C@@H](C)C[N@@H+]1CCC2(CC2)C1 400018657 572210948 /nfs/dbraw/zinc/21/09/48/572210948.db2.gz BGLYEINCTJLFHE-SNVBAGLBSA-N 2 0 182.311 1.328 10 0 ADAERP CCC[C@@H](C)[N@H+](C)[C@@H](C)CC[NH3+] 41042595 572211305 /nfs/dbraw/zinc/21/13/05/572211305.db2.gz DUJRYFQSCZZDCW-ZJUUUORDSA-N 2 0 172.316 1.844 10 0 ADAERP CC[C@H]([NH3+])[C@@H]([NH3+])C1CCCCC1 36448113 572211314 /nfs/dbraw/zinc/21/13/14/572211314.db2.gz LEKXTOLKRNOPQQ-UWVGGRQHSA-N 2 0 170.300 1.631 10 0 ADAERP C[C@@H](C[NH3+])[C@@H](C)[N@H+](C)Cc1ccoc1 86312204 572914000 /nfs/dbraw/zinc/91/40/00/572914000.db2.gz VPUOXCINYNXDST-VHSXEESVSA-N 2 0 196.294 1.695 10 0 ADAERP C[C@H](C1CC1)[NH+]1CCC([NH3+])CC1 20521480 572224938 /nfs/dbraw/zinc/22/49/38/572224938.db2.gz OXEMKLYUUMNKAD-MRVPVSSYSA-N 2 0 168.284 1.208 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1CC[C@H](C)C1 43908424 572236622 /nfs/dbraw/zinc/23/66/22/572236622.db2.gz GRZDRGKEIMUMLJ-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)C[N@H+](C)C[C@H]1CCCC[NH2+]C1 697038263 757422229 /nfs/dbraw/zinc/42/22/29/757422229.db2.gz BFYSGMMVTPFNGR-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 697039708 757422455 /nfs/dbraw/zinc/42/24/55/757422455.db2.gz GPUPMSXUZKRZJH-RYUDHWBXSA-N 2 0 196.338 1.718 10 0 ADAERP CCCC[N@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86409875 572933803 /nfs/dbraw/zinc/93/38/03/572933803.db2.gz ZXSOYGBWHSHTNG-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@@H](CC[NH3+])[N@@H+]1CCC[C@H]1CC 37913211 572237129 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/nfs/dbraw/zinc/46/09/44/572460944.db2.gz HILDMLVQDDBFMP-QMMMGPOBSA-N 2 0 144.262 1.243 10 0 ADAERP C[C@H](C[N@H+](C)CCC1CC1)C(N)=[NH2+] 83926864 572461017 /nfs/dbraw/zinc/46/10/17/572461017.db2.gz IDLUAAVXYNHAPC-MRVPVSSYSA-N 2 0 183.299 1.290 10 0 ADAERP [NH3+]CC[C@H]1CCC[N@H+](CCC2CC2)C1 83935409 572461026 /nfs/dbraw/zinc/46/10/26/572461026.db2.gz NOPFYZNMHXMTHL-GFCCVEGCSA-N 2 0 196.338 1.847 10 0 ADAERP C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2C12CCCC2 250561712 572481394 /nfs/dbraw/zinc/48/13/94/572481394.db2.gz COPOVHLCEUXFQG-VHSXEESVSA-N 2 0 180.295 1.080 10 0 ADAERP C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C2CCCC2)C1 250573022 572481426 /nfs/dbraw/zinc/48/14/26/572481426.db2.gz FCQHBAXDLNTRRG-GHMZBOCLSA-N 2 0 182.311 1.313 10 0 ADAERP C[N@H+](CC[C@@H]1CCC[C@@H]1[NH3+])C1CC1 86531236 572949928 /nfs/dbraw/zinc/94/99/28/572949928.db2.gz YYKDBWGVXYOOTL-ONGXEEELSA-N 2 0 182.311 1.598 10 0 ADAERP C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1c1ccncc1 250569041 572483307 /nfs/dbraw/zinc/48/33/07/572483307.db2.gz DQFJDBFLBBLPLL-KOLCDFICSA-N 2 0 191.278 1.033 10 0 ADAERP C[N@@H+]1CCC[C@H]1[C@H](C[NH3+])c1ccco1 250561897 572483342 /nfs/dbraw/zinc/48/33/42/572483342.db2.gz CQZNZZGUUQXBOF-UWVGGRQHSA-N 2 0 194.278 1.416 10 0 ADAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)C12CCC2 698214078 757449123 /nfs/dbraw/zinc/44/91/23/757449123.db2.gz LPIYGYZVCPGTFY-MXWKQRLJSA-N 2 0 192.306 1.565 10 0 ADAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)C12CCC2 698214068 757449720 /nfs/dbraw/zinc/44/97/20/757449720.db2.gz LPIYGYZVCPGTFY-GMTAPVOTSA-N 2 0 192.306 1.565 10 0 ADAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)C12CCC2 698214073 757451445 /nfs/dbraw/zinc/45/14/45/757451445.db2.gz LPIYGYZVCPGTFY-HBNTYKKESA-N 2 0 192.306 1.565 10 0 ADAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)C12CCC2 698214064 757452066 /nfs/dbraw/zinc/45/20/66/757452066.db2.gz LPIYGYZVCPGTFY-AXFHLTTASA-N 2 0 192.306 1.565 10 0 ADAERP CC(C)C[N@@H+]1CC[C@@H](C[C@H](C)C[NH3+])C1 250603813 572493725 /nfs/dbraw/zinc/49/37/25/572493725.db2.gz 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198.310 1.049 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)C 308044232 572507184 /nfs/dbraw/zinc/50/71/84/572507184.db2.gz ORFIZPPBELUYQF-VIFPVBQESA-N 2 0 172.316 1.619 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 699187544 757462243 /nfs/dbraw/zinc/46/22/43/757462243.db2.gz KAFPFHLXFDQCLC-IRCOFANPSA-N 2 0 194.322 1.456 10 0 ADAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C=CCC1 698329143 757462464 /nfs/dbraw/zinc/46/24/64/757462464.db2.gz QWGVIOJPZAQWOE-GHMZBOCLSA-N 2 0 198.310 1.049 10 0 ADAERP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 699159439 757462784 /nfs/dbraw/zinc/46/27/84/757462784.db2.gz HLIDJZZGZXEVLN-GHMZBOCLSA-N 2 0 194.322 1.470 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])C2CCCC2)C1 250587626 572485655 /nfs/dbraw/zinc/48/56/55/572485655.db2.gz GXGALFKKIMXEIY-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP CC[N@H+](C)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 699297842 757464268 /nfs/dbraw/zinc/46/42/68/757464268.db2.gz BKODRJOAWBQZQP-FGWVZKOKSA-N 2 0 182.311 1.469 10 0 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182.311 1.230 10 0 ADAERP CC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238284761 573105950 /nfs/dbraw/zinc/10/59/50/573105950.db2.gz OZFBTYWYRNXTQO-CHWFTXMASA-N 2 0 182.311 1.739 10 0 ADAERP CC([C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 114650761 573106025 /nfs/dbraw/zinc/10/60/25/573106025.db2.gz WNSAKRZUFNBORV-RYUDHWBXSA-N 2 0 196.338 1.907 10 0 ADAERP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCC1 88225491 573106841 /nfs/dbraw/zinc/10/68/41/573106841.db2.gz BYXZLXBMQNMKCL-JTQLQIEISA-N 2 0 195.310 1.253 10 0 ADAERP C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C 85678345 573117689 /nfs/dbraw/zinc/11/76/89/573117689.db2.gz JDAJUBZPYFSWGV-QMMMGPOBSA-N 2 0 158.289 1.182 10 0 ADAERP CC[C@H](C)[C@]1([NH3+])CC[N@H+](CC)C1 642827619 573117724 /nfs/dbraw/zinc/11/77/24/573117724.db2.gz USSIMUAQKHASKZ-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H]1CC[C@H]2[NH2+][C@H](C)CC[C@H]2[NH2+]1 143991004 573117780 /nfs/dbraw/zinc/11/77/80/573117780.db2.gz LQPIKJMBUZADGZ-ZYUZMQFOSA-N 2 0 168.284 1.267 10 0 ADAERP 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573374123 /nfs/dbraw/zinc/37/41/23/573374123.db2.gz LNQRXEKTFPBVIL-JTQLQIEISA-N 2 0 193.294 1.156 10 0 ADAERP CN(C)c1ccc(O)c(CCC[NH3+])c1 258014163 573374127 /nfs/dbraw/zinc/37/41/27/573374127.db2.gz HQEURIPYVSFGTB-UHFFFAOYSA-N 2 0 194.278 1.350 10 0 ADAERP [NH3+][C@H]1CC[NH2+][C@@H](c2cccc(F)c2)C1 107137492 573374136 /nfs/dbraw/zinc/37/41/36/573374136.db2.gz PMJYRVYZSZQTES-WDEREUQCSA-N 2 0 194.253 1.578 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C1CCC1)[NH+](C)C 259430891 573374159 /nfs/dbraw/zinc/37/41/59/573374159.db2.gz IJZSCGPAEXEORL-SCZZXKLOSA-N 2 0 170.300 1.454 10 0 ADAERP [NH3+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2)C1 107137497 573374189 /nfs/dbraw/zinc/37/41/89/573374189.db2.gz CNJTVGZVLXILPK-GHMZBOCLSA-N 2 0 194.253 1.578 10 0 ADAERP [NH3+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2)C1 107137501 573374219 /nfs/dbraw/zinc/37/42/19/573374219.db2.gz CNJTVGZVLXILPK-QWRGUYRKSA-N 2 0 194.253 1.578 10 0 ADAERP Cc1ccc([C@H]2C[C@H]([NH3+])CC[NH2+]2)s1 107139668 573374249 /nfs/dbraw/zinc/37/42/49/573374249.db2.gz JODDHKGZPGZAMR-RKDXNWHRSA-N 2 0 196.319 1.808 10 0 ADAERP CC(C)[C@]1(C[C@H]2CCC[NH2+]2)CCC[NH2+]1 258329470 573374259 /nfs/dbraw/zinc/37/42/59/573374259.db2.gz WXJHAVSDNKWMMP-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP Cc1ccsc1[C@H]1C[C@H]([NH3+])CC[NH2+]1 107139680 573374271 /nfs/dbraw/zinc/37/42/71/573374271.db2.gz UXKUQZBSVAEHEH-RKDXNWHRSA-N 2 0 196.319 1.808 10 0 ADAERP CCC[C@H]([NH3+])C1(C[NH2+]C)CC1 259431387 573374276 /nfs/dbraw/zinc/37/42/76/573374276.db2.gz NEPHGFQMXBXVOS-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP C[NH2+]C/C=C\CC[NH+]1CCCC1 258015785 573374324 /nfs/dbraw/zinc/37/43/24/573374324.db2.gz NMKDQIBYVCKRIO-IHWYPQMZSA-N 2 0 168.284 1.248 10 0 ADAERP CCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133080912 573374342 /nfs/dbraw/zinc/37/43/42/573374342.db2.gz BEAVIJPJILEVAA-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])CC2)[C@@H]1C 83044902 573374368 /nfs/dbraw/zinc/37/43/68/573374368.db2.gz AXEDHPAMWPKYSJ-FOGDFJRCSA-N 2 0 196.338 1.844 10 0 ADAERP C1C[NH2+]C[C@H](CC[N@H+]2C[C@H]3C[C@H]3C2)C1 107137890 573374465 /nfs/dbraw/zinc/37/44/65/573374465.db2.gz PMEJTTIIJFRPSX-SDDRHHMPSA-N 2 0 194.322 1.328 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1C[NH2+]CC1(C)C 642831394 573374531 /nfs/dbraw/zinc/37/45/31/573374531.db2.gz ICYRVCWDZIIHPD-SNVBAGLBSA-N 2 0 184.327 1.572 10 0 ADAERP Cc1ccsc1[C@@H]1C[C@H]([NH3+])CC[NH2+]1 107139678 573374536 /nfs/dbraw/zinc/37/45/36/573374536.db2.gz UXKUQZBSVAEHEH-BDAKNGLRSA-N 2 0 196.319 1.808 10 0 ADAERP CC[C@@]1(C[C@H]2CC[NH2+]C2)CCCC[NH2+]1 258329490 573374541 /nfs/dbraw/zinc/37/45/41/573374541.db2.gz WXQNWQLLPNVBNZ-NEPJUHHUSA-N 2 0 196.338 1.908 10 0 ADAERP C1CC[C@@H](CC[N@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107137870 573374868 /nfs/dbraw/zinc/37/48/68/573374868.db2.gz GTWPURZNEFLFDE-TUAOUCFPSA-N 2 0 194.322 1.470 10 0 ADAERP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)[C@@H]1C 83044966 573374956 /nfs/dbraw/zinc/37/49/56/573374956.db2.gz LGKCSUUWBUYRDU-KKOKHZNYSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H](C)C1C[NH2+]C1 129664002 573378629 /nfs/dbraw/zinc/37/86/29/573378629.db2.gz YISRNUJREFULDG-VHSXEESVSA-N 2 0 184.327 1.478 10 0 ADAERP C[C@H](C[NH2+][C@@H]1CC1(C)C)C1C[NH2+]C1 129635560 573378717 /nfs/dbraw/zinc/37/87/17/573378717.db2.gz MLRYKXICTDGRQP-PSASIEDQSA-N 2 0 182.311 1.230 10 0 ADAERP C[C@H](C[NH2+]C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 133207758 573382868 /nfs/dbraw/zinc/38/28/68/573382868.db2.gz NUNBPWPVRNIETJ-FOGDFJRCSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 133196382 573382880 /nfs/dbraw/zinc/38/28/80/573382880.db2.gz AIDDUVUAAWBWMS-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H](C[NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 133175226 573382934 /nfs/dbraw/zinc/38/29/34/573382934.db2.gz FOQGKNAVJUFGQJ-WDEREUQCSA-N 2 0 196.338 1.622 10 0 ADAERP Cc1[nH+]cn2ccc(C[NH3+])cc12 107159620 573385430 /nfs/dbraw/zinc/38/54/30/573385430.db2.gz SCKIZEXIERKFFC-UHFFFAOYSA-N 2 0 161.208 1.101 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H](C)C1CC1 133197666 573385469 /nfs/dbraw/zinc/38/54/69/573385469.db2.gz MCQWOEBVJMNJGR-PWSUYJOCSA-N 2 0 198.354 1.996 10 0 ADAERP CCC[C@H]1[C@@H](C[NH3+])CC[N@@H+]1C 107158764 573385508 /nfs/dbraw/zinc/38/55/08/573385508.db2.gz FPHGITMNRFPYPS-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@@](C)([NH3+])C[NH2+]C[C@H](C)C1CC1 133167902 573385549 /nfs/dbraw/zinc/38/55/49/573385549.db2.gz UREJYYGRCFOIRN-GXSJLCMTSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H](C[NH2+]C[C@H]1CC[NH2+][C@H]1C)C1CC1 133208381 573385570 /nfs/dbraw/zinc/38/55/70/573385570.db2.gz NUNBPWPVRNIETJ-JFGNBEQYSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H](C[NH2+]CC1([NH3+])CCCC1)C1CC1 133212729 573385598 /nfs/dbraw/zinc/38/55/98/573385598.db2.gz VYNQFJJQLNBGFO-JTQLQIEISA-N 2 0 196.338 1.894 10 0 ADAERP C[NH2+]C[C@H](C)C[NH2+]C[C@H](C)C1CC1 133176535 573385633 /nfs/dbraw/zinc/38/56/33/573385633.db2.gz OPVMRDBIAATNDQ-UWVGGRQHSA-N 2 0 184.327 1.478 10 0 ADAERP C[NH2+][C@@H](C(C)C)[C@H](C[NH3+])C(C)C 259432764 573385668 /nfs/dbraw/zinc/38/56/68/573385668.db2.gz ZEQIXAOMKQFEFH-ZJUUUORDSA-N 2 0 172.316 1.461 10 0 ADAERP Cc1[nH+]cn2cc(C[NH3+])ccc12 107159509 573385697 /nfs/dbraw/zinc/38/56/97/573385697.db2.gz RQBROHKKJBWWFT-UHFFFAOYSA-N 2 0 161.208 1.101 10 0 ADAERP C[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]1)C1CC1 133203596 573385752 /nfs/dbraw/zinc/38/57/52/573385752.db2.gz YSCBUCLKMUFHDI-PWSUYJOCSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+]CCC[C@@H]1[NH2+]Cc2ccccc21 258334208 573389343 /nfs/dbraw/zinc/38/93/43/573389343.db2.gz YJPMHLKDFHXHKS-NSHDSACASA-N 2 0 176.263 1.570 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1C1(N)CCC1 258012473 573389459 /nfs/dbraw/zinc/38/94/59/573389459.db2.gz MYMCJXHMPKTKNH-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP C[C@H](C[NH2+]CC[C@H]([NH3+])C1CC1)C1CC1 133248342 573393675 /nfs/dbraw/zinc/39/36/75/573393675.db2.gz FEGTXKDOMHUECO-SKDRFNHKSA-N 2 0 196.338 1.750 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[C@@H]1CCC[NH2+]1 259438178 573393696 /nfs/dbraw/zinc/39/36/96/573393696.db2.gz PWFXJVQGXLBALW-ZJUUUORDSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H](C[NH2+]CCC1([NH3+])CCC1)C1CC1 133244247 573393784 /nfs/dbraw/zinc/39/37/84/573393784.db2.gz ZJHSDRJJUVXUAX-JTQLQIEISA-N 2 0 196.338 1.894 10 0 ADAERP C[C@@H](C[NH2+]CC1(C[NH3+])CC1)C1CC1 133223763 573393824 /nfs/dbraw/zinc/39/38/24/573393824.db2.gz SAOVRKGNZNIQNL-VIFPVBQESA-N 2 0 182.311 1.361 10 0 ADAERP Cc1ccc([C@H]([NH3+])[C@@H](C)C[NH3+])cc1C 259094326 573393831 /nfs/dbraw/zinc/39/38/31/573393831.db2.gz APGGPEDMLSLQCQ-CMPLNLGQSA-N 2 0 192.306 1.898 10 0 ADAERP C[NH+]1CCC2(CC1)C[C@@H]2CC[NH3+] 107162275 573393873 /nfs/dbraw/zinc/39/38/73/573393873.db2.gz SCIONYLMKGKXSM-VIFPVBQESA-N 2 0 168.284 1.067 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+]CCC(F)F 308379369 573394036 /nfs/dbraw/zinc/39/40/36/573394036.db2.gz PJGBTIMEZHZRRJ-HTQZYQBOSA-N 2 0 194.269 1.605 10 0 ADAERP C[C@H]1C[N@H+](C)CCCN1C(=[NH2+])C1CC1 235582779 573394079 /nfs/dbraw/zinc/39/40/79/573394079.db2.gz PENYMDWDLUVNFH-VIFPVBQESA-N 2 0 195.310 1.400 10 0 ADAERP C[C@H](CCC[NH3+])C[NH2+]C[C@H](C)C1CC1 133253164 573394083 /nfs/dbraw/zinc/39/40/83/573394083.db2.gz YYVNWJMSXGZYND-MNOVXSKESA-N 2 0 198.354 1.997 10 0 ADAERP C[C@@H](C[NH2+]CCCC[NH3+])C1CC1 133224371 573394092 /nfs/dbraw/zinc/39/40/92/573394092.db2.gz QIDZJRLMIYXDAY-VIFPVBQESA-N 2 0 170.300 1.361 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]Cc1occc1C 308569091 573394108 /nfs/dbraw/zinc/39/41/08/573394108.db2.gz JGADKPZCUFSDST-JTQLQIEISA-N 2 0 196.294 1.663 10 0 ADAERP Cc1c[nH+]ccc1N(C)[C@H](C)C[NH3+] 107167800 573394120 /nfs/dbraw/zinc/39/41/20/573394120.db2.gz DVGUMCSOJPBWTQ-SECBINFHSA-N 2 0 179.267 1.173 10 0 ADAERP Cc1cc(N(C)C[C@@H](C)[NH3+])cc[nH+]1 107167809 573395141 /nfs/dbraw/zinc/39/51/41/573395141.db2.gz OZPCTLNCDJJJJS-MRVPVSSYSA-N 2 0 179.267 1.173 10 0 ADAERP CC[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093124 573395236 /nfs/dbraw/zinc/39/52/36/573395236.db2.gz OIDFWMVJWUVDBM-HBNTYKKESA-N 2 0 182.311 1.469 10 0 ADAERP 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573402981 /nfs/dbraw/zinc/40/29/81/573402981.db2.gz GXAUFQDRAXRQBG-SECBINFHSA-N 2 0 168.284 1.223 10 0 ADAERP CC(C)[C@@H]([NH+](C)C)C(C)(C)C[NH3+] 259438740 573402986 /nfs/dbraw/zinc/40/29/86/573402986.db2.gz ITJPDKPPCFAOCB-SECBINFHSA-N 2 0 172.316 1.558 10 0 ADAERP CC1(C)C[C@H](C[C@@H]2CCC[NH2+]C2)C[NH2+]1 258342624 573403476 /nfs/dbraw/zinc/40/34/76/573403476.db2.gz XVNUFWRBHIIGLN-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH2+]C2CCCCC2)C1 86396874 573403571 /nfs/dbraw/zinc/40/35/71/573403571.db2.gz PUQFPCDVBYJNAE-KOLCDFICSA-N 2 0 182.311 1.789 10 0 ADAERP C[C@H]1C[C@@H](C2CC[NH+](C)CC2)C[NH2+]1 258342743 573403594 /nfs/dbraw/zinc/40/35/94/573403594.db2.gz XWXYKMITEOAUFE-GXSJLCMTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H](C[NH3+])[C@@H](c1ccccc1)[NH+](C)C 259440880 573403608 /nfs/dbraw/zinc/40/36/08/573403608.db2.gz IVDJUYSSDBUCRM-JQWIXIFHSA-N 2 0 192.306 1.884 10 0 ADAERP Cc1ccc([C@@H](C[NH3+])C[NH2+]C2CC2)o1 258340216 573404042 /nfs/dbraw/zinc/40/40/42/573404042.db2.gz ZDJLWHKGTLATMM-VIFPVBQESA-N 2 0 194.278 1.382 10 0 ADAERP C[C@H](c1ccc(C[NH3+])n1C)[NH+](C)C 257810455 573404043 /nfs/dbraw/zinc/40/40/43/573404043.db2.gz AKHFJMRLSBZDCN-MRVPVSSYSA-N 2 0 181.283 1.106 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH2+]C2CCCCC2)C1 86396869 573404050 /nfs/dbraw/zinc/40/40/50/573404050.db2.gz PUQFPCDVBYJNAE-GXSJLCMTSA-N 2 0 182.311 1.789 10 0 ADAERP [NH3+][C@H]1CC[C@H]([NH2+]C2CCCC2)C1 86396915 573404059 /nfs/dbraw/zinc/40/40/59/573404059.db2.gz NOSNUILAOSDGJV-WPRPVWTQSA-N 2 0 168.284 1.398 10 0 ADAERP C[NH+](C)C[C@H](C[NH3+])C1CCCC1 258343357 573404111 /nfs/dbraw/zinc/40/41/11/573404111.db2.gz QPBVSTDHTRVYEX-JTQLQIEISA-N 2 0 170.300 1.313 10 0 ADAERP CC1(C)C[C@@H](C[C@H]2CCC[NH2+]C2)C[NH2+]1 258342619 573404212 /nfs/dbraw/zinc/40/42/12/573404212.db2.gz XVNUFWRBHIIGLN-GHMZBOCLSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H](C[NH3+])[C@@H](c1ccccc1)[NH+](C)C 259440882 573404301 /nfs/dbraw/zinc/40/43/01/573404301.db2.gz IVDJUYSSDBUCRM-PWSUYJOCSA-N 2 0 192.306 1.884 10 0 ADAERP Cc1ccc([C@H](C[NH3+])C[NH2+]C2CC2)o1 258340215 573404323 /nfs/dbraw/zinc/40/43/23/573404323.db2.gz ZDJLWHKGTLATMM-SECBINFHSA-N 2 0 194.278 1.382 10 0 ADAERP CC[C@H](C[NH3+])[C@@H](CC)[NH+](C)C 259440911 573404375 /nfs/dbraw/zinc/40/43/75/573404375.db2.gz IVKVZESWWGMEDG-RKDXNWHRSA-N 2 0 158.289 1.312 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 86400518 573404391 /nfs/dbraw/zinc/40/43/91/573404391.db2.gz KSQOTPUSNCGXGI-ZJUUUORDSA-N 2 0 196.319 1.718 10 0 ADAERP CC[C@@H](C[NH3+])[C@H](CC)[NH+](C)C 259440910 573404418 /nfs/dbraw/zinc/40/44/18/573404418.db2.gz IVKVZESWWGMEDG-IUCAKERBSA-N 2 0 158.289 1.312 10 0 ADAERP [NH3+][C@H]1CC[C@H]([NH2+]C2CCC2)C1 86400282 573404431 /nfs/dbraw/zinc/40/44/31/573404431.db2.gz KWYFIZBMZQBJNC-CBAPKCEASA-N 2 0 154.257 1.008 10 0 ADAERP C[NH2+][C@@H](CCC(C)(C)[NH3+])c1ccc[nH]1 259440165 573404450 /nfs/dbraw/zinc/40/44/50/573404450.db2.gz OLTUTHXHLWJEQR-VIFPVBQESA-N 2 0 195.310 1.793 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH2+]C2CCCC2)C1 86396913 573404532 /nfs/dbraw/zinc/40/45/32/573404532.db2.gz NOSNUILAOSDGJV-WCBMZHEXSA-N 2 0 168.284 1.398 10 0 ADAERP [NH3+][C@H]1CC[C@H]([NH2+]C2CCCCC2)C1 86396870 573404906 /nfs/dbraw/zinc/40/49/06/573404906.db2.gz PUQFPCDVBYJNAE-ONGXEEELSA-N 2 0 182.311 1.789 10 0 ADAERP CC1(C)C[C@H](C[C@H]2CCC[NH2+]C2)C[NH2+]1 258342622 573404910 /nfs/dbraw/zinc/40/49/10/573404910.db2.gz XVNUFWRBHIIGLN-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)C[C@@H](C[C@@H]2CCC[NH2+]C2)C[NH2+]1 258342626 573404957 /nfs/dbraw/zinc/40/49/57/573404957.db2.gz XVNUFWRBHIIGLN-WDEREUQCSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H](C[NH3+])[C@H](F)Cc1c[nH+]ccc1N 308575449 573405034 /nfs/dbraw/zinc/40/50/34/573405034.db2.gz MKINZYQKJUGYHU-VXNVDRBHSA-N 2 0 197.257 1.139 10 0 ADAERP C[NH2+][C@H](CC1CC[NH2+]CC1)C(C)C 259096708 573405078 /nfs/dbraw/zinc/40/50/78/573405078.db2.gz ADAXAHBTYXOIEF-LLVKDONJSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CC(F)F 308380396 573405097 /nfs/dbraw/zinc/40/50/97/573405097.db2.gz QBCHRDDIUTXGAX-YUMQZZPRSA-N 2 0 194.269 1.603 10 0 ADAERP C[NH2+]C(C)(C)[C@H]([NH3+])CC(C)C 259096158 573405254 /nfs/dbraw/zinc/40/52/54/573405254.db2.gz AQTGISHYADJWSK-MRVPVSSYSA-N 2 0 158.289 1.358 10 0 ADAERP C[NH2+]C(C)(C)[C@@H]([NH3+])CC(C)C 259096160 573405270 /nfs/dbraw/zinc/40/52/70/573405270.db2.gz AQTGISHYADJWSK-QMMMGPOBSA-N 2 0 158.289 1.358 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH2+]C2CCC2)C1 86400286 573405285 /nfs/dbraw/zinc/40/52/85/573405285.db2.gz KWYFIZBMZQBJNC-APPZFPTMSA-N 2 0 154.257 1.008 10 0 ADAERP CC[C@@H]([C@H](CC)C[NH2+]C)[NH+](C)C 259095899 573405349 /nfs/dbraw/zinc/40/53/49/573405349.db2.gz GSGCOJWLBSISGK-ZJUUUORDSA-N 2 0 172.316 1.572 10 0 ADAERP Cc1ccoc1C[NH2+][C@H](C)CCC[NH3+] 308575354 573405523 /nfs/dbraw/zinc/40/55/23/573405523.db2.gz MHQSXLQMVZVJQI-SNVBAGLBSA-N 2 0 196.294 1.805 10 0 ADAERP CC(C)C[NH2+][C@H]1CC[C@H]([NH3+])C1 86396906 573405623 /nfs/dbraw/zinc/40/56/23/573405623.db2.gz JWHTZNDTCAAYLM-IUCAKERBSA-N 2 0 156.273 1.112 10 0 ADAERP Cc1ccoc1C[NH2+][C@@H](C)CCC[NH3+] 308575351 573405706 /nfs/dbraw/zinc/40/57/06/573405706.db2.gz MHQSXLQMVZVJQI-JTQLQIEISA-N 2 0 196.294 1.805 10 0 ADAERP C[C@@H](C[NH3+])[C@H](F)Cc1c[nH+]ccc1N 308575446 573405914 /nfs/dbraw/zinc/40/59/14/573405914.db2.gz MKINZYQKJUGYHU-IONNQARKSA-N 2 0 197.257 1.139 10 0 ADAERP C[C@@H](c1ccc(C[NH3+])n1C)[NH+](C)C 257810456 573405925 /nfs/dbraw/zinc/40/59/25/573405925.db2.gz AKHFJMRLSBZDCN-QMMMGPOBSA-N 2 0 181.283 1.106 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH2+]C2CCCCC2)C1 86396872 573405972 /nfs/dbraw/zinc/40/59/72/573405972.db2.gz PUQFPCDVBYJNAE-MWLCHTKSSA-N 2 0 182.311 1.789 10 0 ADAERP CCc1cc(N[C@H]2CC[NH2+]C2)cc[nH+]1 107177735 573405986 /nfs/dbraw/zinc/40/59/86/573405986.db2.gz YYXKALCVTVFZMX-NSHDSACASA-N 2 0 191.278 1.418 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1 86396917 573406165 /nfs/dbraw/zinc/40/61/65/573406165.db2.gz NOSNUILAOSDGJV-PSASIEDQSA-N 2 0 168.284 1.398 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](NCc2nccs2)C1 86399691 573407796 /nfs/dbraw/zinc/40/77/96/573407796.db2.gz CFJHMZFYLPLRNW-HTQZYQBOSA-N 2 0 197.307 1.113 10 0 ADAERP C1CCC(C[NH2+]CC[C@H]2CC[NH2+]C2)C1 259097387 573407812 /nfs/dbraw/zinc/40/78/12/573407812.db2.gz UHZOSSPTHSGWEZ-LBPRGKRZSA-N 2 0 196.338 1.766 10 0 ADAERP C[NH+]1CCC([C@](C)(F)C[NH3+])CC1 257810987 573407829 /nfs/dbraw/zinc/40/78/29/573407829.db2.gz AUQMGJDYJUZEHT-SECBINFHSA-N 2 0 174.263 1.015 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@H]([NH2+]C)C1CCC1 259097125 573407859 /nfs/dbraw/zinc/40/78/59/573407859.db2.gz DTXWMEPYIQFBSY-NWDGAFQWSA-N 2 0 198.354 1.866 10 0 ADAERP C[NH+]1CCC([C@@](C)(F)C[NH3+])CC1 257810988 573408039 /nfs/dbraw/zinc/40/80/39/573408039.db2.gz AUQMGJDYJUZEHT-VIFPVBQESA-N 2 0 174.263 1.015 10 0 ADAERP CC[C@@H](C)[NH2+]C(C)(C)CC[NH3+] 259101217 573412021 /nfs/dbraw/zinc/41/20/21/573412021.db2.gz ZUXGREKOJIKSCP-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP CCCC[N@H+](C)C(C)(C)CC[NH3+] 259098395 573412192 /nfs/dbraw/zinc/41/21/92/573412192.db2.gz ZOLXSQOPFAYPKX-UHFFFAOYSA-N 2 0 172.316 1.846 10 0 ADAERP CC[N@H+](C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86410072 573414713 /nfs/dbraw/zinc/41/47/13/573414713.db2.gz YROYPKPCYPHSMV-WCBMZHEXSA-N 2 0 168.284 1.351 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@@](C)(F)C[NH3+])C1 257811197 573414841 /nfs/dbraw/zinc/41/48/41/573414841.db2.gz AZGNRRIGOVOJOI-DTWKUNHWSA-N 2 0 174.263 1.015 10 0 ADAERP C[C@H](C[NH3+])C[C@H](C)CCCC[NH3+] 33506960 573414846 /nfs/dbraw/zinc/41/48/46/573414846.db2.gz SQAPJTNHAUBTOP-ZJUUUORDSA-N 2 0 172.316 1.736 10 0 ADAERP CCC[N@H+](CC)[C@@H]1CC[C@H]([NH3+])C1 86410102 573414999 /nfs/dbraw/zinc/41/49/99/573414999.db2.gz JFKIBUCMBCCGOR-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@@]1([C@@H]2CCC[NH2+]C2)CCC[NH2+]1 258335252 573416163 /nfs/dbraw/zinc/41/61/63/573416163.db2.gz XGHRQIUJNINBRO-MNOVXSKESA-N 2 0 182.311 1.518 10 0 ADAERP C[C@@H]1C[C@H](C[C@H]2CCCC[N@@H+]2C)C[NH2+]1 258336824 573416393 /nfs/dbraw/zinc/41/63/93/573416393.db2.gz XMSQCHYFTNFUJW-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP C1CC([C@H]2C[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 258019159 573416400 /nfs/dbraw/zinc/41/64/00/573416400.db2.gz HWXIEYVWLIQDSX-ZSBIGDGJSA-N 2 0 194.322 1.232 10 0 ADAERP CC[N@@H+]1CC[C@H](/C=C\CC[NH2+]C)C1 258335472 573418699 /nfs/dbraw/zinc/41/86/99/573418699.db2.gz XKCFEYFGJNOZIP-QZPNVGJNSA-N 2 0 182.311 1.494 10 0 ADAERP C[C@]1(C[C@H]2CC[NH2+]C2)CCC[NH2+]1 258338861 573418764 /nfs/dbraw/zinc/41/87/64/573418764.db2.gz XQYOYKREGAZFLK-NXEZZACHSA-N 2 0 168.284 1.128 10 0 ADAERP CC[N@H+](C(C)C)[C@@H]1CCC[C@H]([NH3+])C1 86410083 573418796 /nfs/dbraw/zinc/41/87/96/573418796.db2.gz VRQZZGOKVAYYAY-WDEREUQCSA-N 2 0 184.327 1.987 10 0 ADAERP [NH3+]C/C=C\C[N@@H+]1CCCC12CCCC2 308579272 573418827 /nfs/dbraw/zinc/41/88/27/573418827.db2.gz OGSALAHEUQWPNT-ARJAWSKDSA-N 2 0 194.322 1.910 10 0 ADAERP C[NH2+][C@H](CC[C@H](C)[NH3+])C1CCC1 259444160 573419047 /nfs/dbraw/zinc/41/90/47/573419047.db2.gz OQLPQWNQPZWPJP-WCBMZHEXSA-N 2 0 170.300 1.502 10 0 ADAERP CC[N@@H+]1CC[C@H](C/C=C\C[NH2+]C)C1 258336715 573420309 /nfs/dbraw/zinc/42/03/09/573420309.db2.gz XLMUZXRFAFNROX-WYGGZMRJSA-N 2 0 182.311 1.494 10 0 ADAERP CC(C)(C)CC[NH2+][C@@H]1CC[C@H]([NH3+])C1 129975411 573420331 /nfs/dbraw/zinc/42/03/31/573420331.db2.gz AFWQUYMHBIAYJT-VHSXEESVSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H](C[NH3+])C[C@H]([NH3+])c1ccccc1F 259446062 573423168 /nfs/dbraw/zinc/42/31/68/573423168.db2.gz QFISDUDACUICNT-KWQFWETISA-N 2 0 196.269 1.810 10 0 ADAERP C[N@@H+]1CC[C@H](CC[NH3+])C1(C)C 107220461 573423249 /nfs/dbraw/zinc/42/32/49/573423249.db2.gz BUACGPRMQZWZSU-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP CC[NH+]1CCC([C@@H]2[NH2+]C[C@H](C)O2)CC1 258647360 573423345 /nfs/dbraw/zinc/42/33/45/573423345.db2.gz SDVWSMFEYMIJPX-GXSJLCMTSA-N 2 0 198.310 1.053 10 0 ADAERP CC[N@H+](CC[C@@H]([NH3+])C1CC1)C1CC1 130013614 573423385 /nfs/dbraw/zinc/42/33/85/573423385.db2.gz IABDVHGKSQTOBK-LLVKDONJSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1C[C@H](C[NH3+])C(C)(C)[N@@H+]1C 107220469 573423414 /nfs/dbraw/zinc/42/34/14/573423414.db2.gz KUYRDHRFZRHYGC-JGVFFNPUSA-N 2 0 156.273 1.064 10 0 ADAERP CC1CC[NH+](CC[C@H]([NH3+])C2CC2)CC1 130000757 573423440 /nfs/dbraw/zinc/42/34/40/573423440.db2.gz IQMDSWGWYRGRQS-LBPRGKRZSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]([NH3+])[C@@H]1CCCCCC[NH2+]1 238391869 573423537 /nfs/dbraw/zinc/42/35/37/573423537.db2.gz ULPWSHMLELBZHV-BDAKNGLRSA-N 2 0 156.273 1.256 10 0 ADAERP CC[NH+]1CCC([C@H]2[NH2+]C[C@@H](C)O2)CC1 258647374 573423579 /nfs/dbraw/zinc/42/35/79/573423579.db2.gz SDVWSMFEYMIJPX-KOLCDFICSA-N 2 0 198.310 1.053 10 0 ADAERP CC[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1C1CC1 107223948 573429732 /nfs/dbraw/zinc/42/97/32/573429732.db2.gz AWTHGTDHLAPXHY-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]1CC2(CC[NH2+]CC2)C[N@@H+]1C1CC1 107235775 573436234 /nfs/dbraw/zinc/43/62/34/573436234.db2.gz ZEPTUFHKXSMVMW-JTQLQIEISA-N 2 0 194.322 1.613 10 0 ADAERP C[NH2+]C[C@@](C)(F)C1CC[NH+](C)CC1 257813337 573436283 /nfs/dbraw/zinc/43/62/83/573436283.db2.gz CCNGNFLZKCYRPZ-SNVBAGLBSA-N 2 0 188.290 1.276 10 0 ADAERP C[NH2+]CCc1ccc(F)c(C[NH3+])c1 257813119 573436303 /nfs/dbraw/zinc/43/63/03/573436303.db2.gz BXMFVOYLROKDEW-UHFFFAOYSA-N 2 0 182.242 1.046 10 0 ADAERP CC(C)[C@]1([C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258020949 573436337 /nfs/dbraw/zinc/43/63/37/573436337.db2.gz BMZBVUOTZVLXGP-RYUDHWBXSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@@H+]1C 107229893 573436441 /nfs/dbraw/zinc/43/64/41/573436441.db2.gz RPZYTJWJAZOYHJ-GARJFASQSA-N 2 0 182.311 1.325 10 0 ADAERP CC[C@@H]1[N@H+](C)CC[C@]12CCC[NH2+]C2 107229671 573436505 /nfs/dbraw/zinc/43/65/05/573436505.db2.gz XKJGUXZXXRHIDW-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1CC(C)(C)[NH2+]C[C@@H](C)[NH2+]1 238395342 573436512 /nfs/dbraw/zinc/43/65/12/573436512.db2.gz FMOQQWIPJBEVPI-JGVFFNPUSA-N 2 0 156.273 1.125 10 0 ADAERP C[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C(C)(C)[N@@H+]1C 107229882 573436534 /nfs/dbraw/zinc/43/65/34/573436534.db2.gz PORLTBLKLQRVOB-UTLUCORTSA-N 2 0 182.311 1.467 10 0 ADAERP CN1CC[C@@H](NC2=[NH+]CCCCC2)C1 86454925 573429702 /nfs/dbraw/zinc/42/97/02/573429702.db2.gz HVSQAEOFLNJQMV-SNVBAGLBSA-N 2 0 195.310 1.253 10 0 ADAERP C1C[C@@H]2CC[N@@H+](C3CC3)CC[C@H]2C[NH2+]1 107235810 573436876 /nfs/dbraw/zinc/43/68/76/573436876.db2.gz CEXKDWHKFKFISW-MNOVXSKESA-N 2 0 194.322 1.470 10 0 ADAERP CC(C)N1CCC[C@@](F)(C[NH3+])C1 118866248 573436893 /nfs/dbraw/zinc/43/68/93/573436893.db2.gz IBGGWXOGALBXIZ-SECBINFHSA-N 2 0 174.263 1.158 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 107229922 573436927 /nfs/dbraw/zinc/43/69/27/573436927.db2.gz JZFAZNBGROITDH-GHMZBOCLSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1CC[C@H]([C@](C)(F)CC[NH3+])C1 257813097 573437039 /nfs/dbraw/zinc/43/70/39/573437039.db2.gz BWMJLVWHWOFKBK-DTWKUNHWSA-N 2 0 174.263 1.015 10 0 ADAERP [NH3+]C1CCC(C[NH2+][C@H]2CCCO2)CC1 257812818 573437063 /nfs/dbraw/zinc/43/70/63/573437063.db2.gz AOAWKTVRDSUGSL-VQXHTEKXSA-N 2 0 198.310 1.230 10 0 ADAERP CC(C)([NH3+])CC[C@@H]([NH3+])c1cccnc1 259449334 573437120 /nfs/dbraw/zinc/43/71/20/573437120.db2.gz QIKBDTRRYQGAGR-SNVBAGLBSA-N 2 0 193.294 1.599 10 0 ADAERP [NH3+]CCC[C@@H]1Cc2ccccc2C[NH2+]1 258021691 573437215 /nfs/dbraw/zinc/43/72/15/573437215.db2.gz HAZBZPAXJFCQAQ-GFCCVEGCSA-N 2 0 190.290 1.440 10 0 ADAERP CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@@H+]1C1CC1 107235865 573437235 /nfs/dbraw/zinc/43/72/35/573437235.db2.gz LIEFQBAVPAZIDX-WCQGTBRESA-N 2 0 194.322 1.611 10 0 ADAERP C1C[NH2+][C@H]2CC[N@H+](C3CC3)CC[C@H]2C1 107235879 573437326 /nfs/dbraw/zinc/43/73/26/573437326.db2.gz KMTNGMUCAQKEAH-PWSUYJOCSA-N 2 0 194.322 1.613 10 0 ADAERP C[C@@H]1C[C@@H](C[C@H]2CCCC[NH2+]2)C[NH2+]1 258021014 573440346 /nfs/dbraw/zinc/44/03/46/573440346.db2.gz BNGXNQKSUAIZIN-OUAUKWLOSA-N 2 0 182.311 1.517 10 0 ADAERP CCCC[N@H+](C)C[C@H]1C[NH2+]C[C@H](C)C1 308582087 573440387 /nfs/dbraw/zinc/44/03/87/573440387.db2.gz PUAZMAJTPMDOQH-VXGBXAGGSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H]1[N@H+](C)CCC12CC[NH2+]CC2 107229722 573440604 /nfs/dbraw/zinc/44/06/04/573440604.db2.gz ZPQRTLHBPHRPSU-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP CC(C)(C)C[NH2+]CC[C@H]([NH3+])C1CC1 130043059 573440628 /nfs/dbraw/zinc/44/06/28/573440628.db2.gz SQYRMBXYCQGTCE-JTQLQIEISA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1C[C@H](C[C@@H]2CCCC[NH2+]2)C[NH2+]1 258021009 573440687 /nfs/dbraw/zinc/44/06/87/573440687.db2.gz BNGXNQKSUAIZIN-MXWKQRLJSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1CC2(CC[NH2+]CC2)C(C)(C)[N@@H+]1C 107237465 573443155 /nfs/dbraw/zinc/44/31/55/573443155.db2.gz RIPSWSCTPYZLBA-SNVBAGLBSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)n1cc[nH+]c1N[C@@H]1CC[NH2+]C1 258037685 573443252 /nfs/dbraw/zinc/44/32/52/573443252.db2.gz JANWEFLRZBZHJK-SECBINFHSA-N 2 0 194.282 1.238 10 0 ADAERP CC(C)[N@@H+]1CC[C@@]2(CCC[NH2+]C2)[C@H]1C 107237460 573443364 /nfs/dbraw/zinc/44/33/64/573443364.db2.gz PASSXYLUKVXLBH-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[N@@H+]1CC[C@]2(CCC[NH2+]C2)[C@H]1C 107237454 573443440 /nfs/dbraw/zinc/44/34/40/573443440.db2.gz PASSXYLUKVXLBH-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]CC/C=C\[C@@H]1CCC[N@H+](C)C1 258355502 573443582 /nfs/dbraw/zinc/44/35/82/573443582.db2.gz YVNXHRPKEMAQHG-ZTYXWKCZSA-N 2 0 182.311 1.494 10 0 ADAERP Cc1ccc2c[nH+]c(CCC[NH3+])n2c1 257813589 573443602 /nfs/dbraw/zinc/44/36/02/573443602.db2.gz CFCMXEVMMIAPKD-UHFFFAOYSA-N 2 0 189.262 1.534 10 0 ADAERP C[C@H]1CC2(CC[NH2+]CC2)C(C)(C)[N@@H+]1C 107237468 573445719 /nfs/dbraw/zinc/44/57/19/573445719.db2.gz RIPSWSCTPYZLBA-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[C@@H]1[N@H+](C)CCC12CC[NH2+]CC2 107237475 573445738 /nfs/dbraw/zinc/44/57/38/573445738.db2.gz WOMDBOZTBDWRCM-NSHDSACASA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[N@@H+]1CCC2(CC[NH2+]CC2)[C@@H]1C 107237495 573445772 /nfs/dbraw/zinc/44/57/72/573445772.db2.gz SRYFDHRXPAHFFU-NSHDSACASA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C[NH3+])[C@@H]([NH2+]C)C1CCCC1 259103194 573445840 /nfs/dbraw/zinc/44/58/40/573445840.db2.gz FETQNZGPFOSHET-MWLCHTKSSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2CC[NH2+]C[C@@H]2CC1 107237531 573445864 /nfs/dbraw/zinc/44/58/64/573445864.db2.gz WAKPCAUJTTVMPN-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@]1([C@H]2CC[N@H+](C)C2)CCC[NH2+]1 258355500 573445908 /nfs/dbraw/zinc/44/59/08/573445908.db2.gz YVMDZXZAABYGND-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 308587154 573445933 /nfs/dbraw/zinc/44/59/33/573445933.db2.gz SOEFBRVYTSNTFD-ZMLRMANQSA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)C[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@@H+]1C 107237510 573445972 /nfs/dbraw/zinc/44/59/72/573445972.db2.gz UXBVIZLANRDUMS-IJLUTSLNSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@H]1[C@H](C)C[C@@]1(CN)[NH2+]CCC1CC1 308586400 573446022 /nfs/dbraw/zinc/44/60/22/573446022.db2.gz SDUGHTNMYAAEJL-SCVCMEIPSA-N 2 0 196.338 1.750 10 0 ADAERP CC[C@]1([C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 258355497 573446031 /nfs/dbraw/zinc/44/60/31/573446031.db2.gz YVMDZXZAABYGND-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP CC(C)[NH2+]CCC[C@@H](C)CC[NH3+] 70610820 571688814 /nfs/dbraw/zinc/68/88/14/571688814.db2.gz OHCCIOJSDYIXSE-SNVBAGLBSA-N 2 0 172.316 1.750 10 0 ADAERP CC(C)[NH+]1CC([C@@H](F)CC[NH3+])C1 257816996 573451764 /nfs/dbraw/zinc/45/17/64/573451764.db2.gz DLFYGJNYBIIGMW-VIFPVBQESA-N 2 0 174.263 1.014 10 0 ADAERP C[NH+](C)[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 107258340 573451771 /nfs/dbraw/zinc/45/17/71/573451771.db2.gz JXDOYCCTVYOFOC-GARJFASQSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1[C@H]1C[NH2+][C@H](C)C1 258350325 573451926 /nfs/dbraw/zinc/45/19/26/573451926.db2.gz YLVJWUDIKUXSLJ-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[NH+]1CC([C@H](F)CC[NH3+])C1 257816994 573451944 /nfs/dbraw/zinc/45/19/44/573451944.db2.gz DLFYGJNYBIIGMW-SECBINFHSA-N 2 0 174.263 1.014 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@H]2CC[NH2+][C@@H](C)C2)C1 258658336 573452002 /nfs/dbraw/zinc/45/20/02/573452002.db2.gz XCTJXKRYZHYJEZ-SRVKXCTJSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@H]([NH3+])C(C)C 259449707 573452110 /nfs/dbraw/zinc/45/21/10/573452110.db2.gz OATPWDLPZRIBHZ-NXEZZACHSA-N 2 0 172.316 1.461 10 0 ADAERP CC[C@H](C)[N@H+](C)C1CC[NH2+]CC1 37110365 571688783 /nfs/dbraw/zinc/68/87/83/571688783.db2.gz VZQITQBTHSADIG-VIFPVBQESA-N 2 0 170.300 1.469 10 0 ADAERP CCC[C@@H]([C@@H]1CC[NH2+]C1)[NH+](C)C 259452287 573454587 /nfs/dbraw/zinc/45/45/87/573454587.db2.gz JGPMIZBBDDPYMU-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@@H]([NH3+])CC[C@@H]([NH3+])c1ccccn1 259458476 573454602 /nfs/dbraw/zinc/45/46/02/573454602.db2.gz QUDKWWHTEROIRP-RKDXNWHRSA-N 2 0 179.267 1.209 10 0 ADAERP C[NH+](C)CCc1ccc(F)c(C[NH3+])c1 257817259 573454708 /nfs/dbraw/zinc/45/47/08/573454708.db2.gz DTJRHWNUSGNXNZ-UHFFFAOYSA-N 2 0 196.269 1.389 10 0 ADAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC2(C)C)C1 234407180 571697191 /nfs/dbraw/zinc/69/71/91/571697191.db2.gz YQKGXYKDJMDBNV-MNOVXSKESA-N 2 0 196.338 1.574 10 0 ADAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1CCC(C)C 712102009 571697281 /nfs/dbraw/zinc/69/72/81/571697281.db2.gz KCJBYQMPNJSBGQ-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP C[N@H+](CC1(C[NH3+])CC1)C(C)(C)C 213980877 571697291 /nfs/dbraw/zinc/69/72/91/571697291.db2.gz TZEBROZCLBXWDV-UHFFFAOYSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@@H]1CCC[N@@H+]1C 214035443 571707172 /nfs/dbraw/zinc/70/71/72/571707172.db2.gz BQMZDEKWHHTHAH-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP C[NH2+][C@@H](C)CCc1c[nH+]ccc1N 70639729 571716026 /nfs/dbraw/zinc/71/60/26/571716026.db2.gz ILQLBMBHWCZHTO-QMMMGPOBSA-N 2 0 179.267 1.204 10 0 ADAERP CC[NH2+][C@H]1CCN(C2CC2)[C@H]1CC 712155103 571716034 /nfs/dbraw/zinc/71/60/34/571716034.db2.gz CMMDYFWSKCVUTQ-QWRGUYRKSA-N 2 0 182.311 1.611 10 0 ADAERP C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CC[N@H+](C)C2)O1 258352837 573455100 /nfs/dbraw/zinc/45/51/00/573455100.db2.gz FVFZPUCSWBRICI-GMTAPVOTSA-N 2 0 198.310 1.053 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@@H]2CC[NH2+][C@@H](C)C2)C1 258658350 573455110 /nfs/dbraw/zinc/45/51/10/573455110.db2.gz XCTJXKRYZHYJEZ-TUAOUCFPSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[NH2+]Cc1c[nH+]c(N)n1C(C)C 258354691 573455150 /nfs/dbraw/zinc/45/51/50/573455150.db2.gz YTOPPBGRBWRADW-UHFFFAOYSA-N 2 0 196.298 1.544 10 0 ADAERP C[C@@H]1CC[C@H]1[NH2+]CC1(C[NH3+])CCCC1 308590509 573455207 /nfs/dbraw/zinc/45/52/07/573455207.db2.gz KDWWIFGCLYZTCH-GHMZBOCLSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 37157284 571716503 /nfs/dbraw/zinc/71/65/03/571716503.db2.gz TYHGKMOIPVIPAQ-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1C[NH2+]CC1(C)CCC1 235277280 571716992 /nfs/dbraw/zinc/71/69/92/571716992.db2.gz VGSZZIPJZXRODB-GHMZBOCLSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H](CC[NH3+])CC[N@@H+]1CCC[C@H]1C 393419409 571745774 /nfs/dbraw/zinc/74/57/74/571745774.db2.gz UUILQTDTSDGWHK-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]C[C@H](C)C[N@H+](CC1CC1)C1CC1 70736863 571745775 /nfs/dbraw/zinc/74/57/75/571745775.db2.gz WTRKYCRGIZWWFS-JTQLQIEISA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H](C[NH2+][C@H]1C=CCCC1)N(C)C 235460670 571916728 /nfs/dbraw/zinc/91/67/28/571916728.db2.gz LTLMHVCAFZMABH-MNOVXSKESA-N 2 0 182.311 1.635 10 0 ADAERP C[N@@H+]1CC[C@H](c2nc(C[NH3+])cs2)C1 107265379 573456949 /nfs/dbraw/zinc/45/69/49/573456949.db2.gz DKHQXYSYICCVEI-ZETCQYMHSA-N 2 0 197.307 1.021 10 0 ADAERP CC[C@@H](C[NH2+]C)[N@@H+]1CCC[C@H]1C 251048637 571803774 /nfs/dbraw/zinc/80/37/74/571803774.db2.gz FOYVHXRFYRXKRB-ZJUUUORDSA-N 2 0 170.300 1.469 10 0 ADAERP Cc1c[nH]c(N[C@H](C)CC[NH+](C)C)[nH+]1 235437957 571909268 /nfs/dbraw/zinc/90/92/68/571909268.db2.gz KSPSFWIZGZRLSU-MRVPVSSYSA-N 2 0 196.298 1.470 10 0 ADAERP C[C@H](CC[NH+](C)C)Nc1[nH]cc[nH+]1 235438988 571910330 /nfs/dbraw/zinc/91/03/30/571910330.db2.gz DDOJHPNOMAWPKZ-MRVPVSSYSA-N 2 0 182.271 1.162 10 0 ADAERP Cc1c[nH]c(N[C@H](C)C[NH+](C)C)[nH+]1 235451814 571912513 /nfs/dbraw/zinc/91/25/13/571912513.db2.gz BZIKBLIGSJZEOR-MRVPVSSYSA-N 2 0 182.271 1.080 10 0 ADAERP [NH3+]C/C=C/CC[NH+]1CCCCC1 687679179 571916694 /nfs/dbraw/zinc/91/66/94/571916694.db2.gz NOIYBNBZXOQZDP-HNQUOIGGSA-N 2 0 168.284 1.377 10 0 ADAERP C[NH2+]C/C=C/CC[NH+]1CCCC1 687679178 571917073 /nfs/dbraw/zinc/91/70/73/571917073.db2.gz NMKDQIBYVCKRIO-NSCUHMNNSA-N 2 0 168.284 1.248 10 0 ADAERP C[C@H](C[NH3+])N[C@H](C)c1ccncc1 235462626 571917086 /nfs/dbraw/zinc/91/70/86/571917086.db2.gz MLUQVYYRDDZZSJ-RKDXNWHRSA-N 2 0 179.267 1.079 10 0 ADAERP C[C@H](N[C@H](C)C[NH3+])c1cccnc1 235459496 571917148 /nfs/dbraw/zinc/91/71/48/571917148.db2.gz FEFPTKIDFMDBOS-BDAKNGLRSA-N 2 0 179.267 1.079 10 0 ADAERP C[NH2+]CCNC[C@@H](C)c1nccs1 234382111 571917171 /nfs/dbraw/zinc/91/71/71/571917171.db2.gz WMUUIDIRJISTHB-MRVPVSSYSA-N 2 0 199.323 1.056 10 0 ADAERP C[C@H](C[NH2+]C[C@@H]1CC1(C)C)C1C[NH2+]C1 235463708 571917201 /nfs/dbraw/zinc/91/72/01/571917201.db2.gz YEVYGKOQCSOROI-KOLCDFICSA-N 2 0 196.338 1.478 10 0 ADAERP CC[NH+]1CCC(C/C=C/C[NH3+])CC1 687680141 571922594 /nfs/dbraw/zinc/92/25/94/571922594.db2.gz NNUVWZOKIFBCNU-ONEGZZNKSA-N 2 0 182.311 1.623 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H](/C=C/C[NH3+])C1 687680134 571923298 /nfs/dbraw/zinc/92/32/98/571923298.db2.gz DAXUPYKPVRGECP-JOAKQRRISA-N 2 0 182.311 1.622 10 0 ADAERP C[NH2+]CC/C=C/[C@@H]1CCC[N@H+](C)C1 687680285 571923316 /nfs/dbraw/zinc/92/33/16/571923316.db2.gz YVNXHRPKEMAQHG-ZXCPCRMDSA-N 2 0 182.311 1.494 10 0 ADAERP [NH3+]C[C@H](C[NH2+]C1CC1)C1CCCC1 258368328 573459436 /nfs/dbraw/zinc/45/94/36/573459436.db2.gz RXELZASKMZBIIJ-SNVBAGLBSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@@H]1C[N@H+](C)[C@H]([C@@H]2CCC[NH2+]C2)[C@@H]1C 107265140 573459463 /nfs/dbraw/zinc/45/94/63/573459463.db2.gz OWHDVZLCKCBALZ-KKOKHZNYSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])c1cncc(F)c1 235517249 571942544 /nfs/dbraw/zinc/94/25/44/571942544.db2.gz VULAYRWHITYWGC-QMMMGPOBSA-N 2 0 197.257 1.220 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](C2CC2)C1 715152687 573460566 /nfs/dbraw/zinc/46/05/66/573460566.db2.gz FCOLGVPWRUGLPG-SDDRHHMPSA-N 2 0 194.322 1.313 10 0 ADAERP Cc1ccoc1C[NH2+]C[C@H](C)[C@H](C)[NH3+] 308592096 573460608 /nfs/dbraw/zinc/46/06/08/573460608.db2.gz WCNZERRQPDPQCS-UWVGGRQHSA-N 2 0 196.294 1.661 10 0 ADAERP [NH3+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 86498120 573460621 /nfs/dbraw/zinc/46/06/21/573460621.db2.gz PJGJZGCHCQGQOQ-AEJSXWLSSA-N 2 0 168.284 1.256 10 0 ADAERP C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C[NH3+])C1 40717052 571961515 /nfs/dbraw/zinc/96/15/15/571961515.db2.gz WDXJFAZSADTWEZ-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[C@](C)([NH3+])[C@@H]1CCCCC[NH2+]1 687688575 571961533 /nfs/dbraw/zinc/96/15/33/571961533.db2.gz YHWWAJWVQPKWLU-QWRGUYRKSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+][C@H](C)C1CC1 398011697 571961569 /nfs/dbraw/zinc/96/15/69/571961569.db2.gz TXJNLGXNXWRHGZ-BDAKNGLRSA-N 2 0 170.300 1.359 10 0 ADAERP CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 86494693 573460654 /nfs/dbraw/zinc/46/06/54/573460654.db2.gz HYCJMWWGSWDPHY-DTWKUNHWSA-N 2 0 156.273 1.127 10 0 ADAERP C[C@]1([NH2+]CCC2CCCC2)CC[NH2+]C1 300825008 571964173 /nfs/dbraw/zinc/96/41/73/571964173.db2.gz ZSVIURDIBPVDQO-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP CCC[NH2+]C[C@H]1CCCCC[NH2+]1 81003225 571971216 /nfs/dbraw/zinc/97/12/16/571971216.db2.gz IKXGYFIWWHYGSD-SNVBAGLBSA-N 2 0 170.300 1.518 10 0 ADAERP CC[N@@H+]1CC[NH2+]CC2(CCCCC2)C1 258395210 573465010 /nfs/dbraw/zinc/46/50/10/573465010.db2.gz BNSGAVBUTVWIPC-UHFFFAOYSA-N 2 0 196.338 1.862 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@H]2[NH2+]C(C)(C)CO2)C1 258397117 573465053 /nfs/dbraw/zinc/46/50/53/573465053.db2.gz ICPWNNAZMOBIFD-UWVGGRQHSA-N 2 0 198.310 1.053 10 0 ADAERP CC(C)(C)[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 258660449 573465071 /nfs/dbraw/zinc/46/50/71/573465071.db2.gz GTWXDOXKNCXFSO-SECBINFHSA-N 2 0 184.327 1.905 10 0 ADAERP C[NH2+]C[C@H]1C[N@H+](C2CC2)C(C)(C)C1 259461249 573465087 /nfs/dbraw/zinc/46/50/87/573465087.db2.gz QCOJTXQJZVAQPO-VIFPVBQESA-N 2 0 182.311 1.469 10 0 ADAERP 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182.311 1.613 10 0 ADAERP CC[C@H](C[NH2+]C)[C@H]([NH2+]C)C(C)(C)C 259104963 573536239 /nfs/dbraw/zinc/53/62/39/573536239.db2.gz FGUDAQAALTXRMN-ZJUUUORDSA-N 2 0 186.343 1.866 10 0 ADAERP C[NH2+][C@@H](C)CCC(C)(C)[NH3+] 259492353 573536402 /nfs/dbraw/zinc/53/64/02/573536402.db2.gz RKAGMCKHLSAQRY-ZETCQYMHSA-N 2 0 144.262 1.112 10 0 ADAERP C[NH2+][C@H](c1ccc[nH]1)C1CC([NH3+])C1 259493539 573536489 /nfs/dbraw/zinc/53/64/89/573536489.db2.gz RNVQFLWOBTZUDG-KTOWXAHTSA-N 2 0 179.267 1.013 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@@]2(C)CCCC[NH2+]2)C1 258053943 573536603 /nfs/dbraw/zinc/53/66/03/573536603.db2.gz DGLWJVKWYZVPSK-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@@H+]1CC[C@@H]([C@H](F)CC[NH3+])C1 257829090 573536628 /nfs/dbraw/zinc/53/66/28/573536628.db2.gz ITGAJGIMTCCTBS-RKDXNWHRSA-N 2 0 174.263 1.015 10 0 ADAERP C[NH2+]C[C@](C)(F)C[C@@H]1CC[N@H+](C)C1 257829274 573536663 /nfs/dbraw/zinc/53/66/63/573536663.db2.gz IRVIAWOKFADINM-VHSXEESVSA-N 2 0 188.290 1.276 10 0 ADAERP 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UVGAXDUIACQTOL-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@H]1CCC[N@@H+](CC[C@@H](C)C[NH3+])C1 87989165 572903899 /nfs/dbraw/zinc/90/38/99/572903899.db2.gz CEEMPFGVWQKWMT-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H](C[NH2+]C1CC1)[C@H](C)[NH+](C)C 86311354 572912378 /nfs/dbraw/zinc/91/23/78/572912378.db2.gz PYUVFNMKBXNEBL-IUCAKERBSA-N 2 0 170.300 1.325 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CC(C)C1 86682202 573569776 /nfs/dbraw/zinc/56/97/76/573569776.db2.gz PBXOTVONHFIQIR-VIFPVBQESA-N 2 0 156.273 1.066 10 0 ADAERP CC[N@H+](C(C)C)[C@H](C)[C@@H](C)C[NH3+] 86311525 572913534 /nfs/dbraw/zinc/91/35/34/572913534.db2.gz ZLJDQCMCUCGWAS-VHSXEESVSA-N 2 0 172.316 1.700 10 0 ADAERP C[C@H](C[NH3+])[C@@H](C)[N@H+](C)CC1CC1 86311915 572913544 /nfs/dbraw/zinc/91/35/44/572913544.db2.gz VRAZUTQDYICTCV-RKDXNWHRSA-N 2 0 170.300 1.312 10 0 ADAERP CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C 86311433 572913559 /nfs/dbraw/zinc/91/35/59/572913559.db2.gz KEXVVJWSOKFKDN-DCAQKATOSA-N 2 0 186.343 1.961 10 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KTMMKVDITPTALL-GHMZBOCLSA-N 2 0 180.295 1.376 10 0 ADAERP C[NH2+]CCCC[NH2+]CC(C)(C)C 40494993 573121475 /nfs/dbraw/zinc/12/14/75/573121475.db2.gz QYIBDECBMKJTBR-UHFFFAOYSA-N 2 0 172.316 1.622 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@H+](C2CC2)[C@@H]1C 259329888 573112771 /nfs/dbraw/zinc/11/27/71/573112771.db2.gz RKDBQOVFBCVKRX-BDAKNGLRSA-N 2 0 168.284 1.079 10 0 ADAERP C[NH2+][C@H](C)C(C)(C)C[NH+](C)C 85678346 573115146 /nfs/dbraw/zinc/11/51/46/573115146.db2.gz JDAJUBZPYFSWGV-MRVPVSSYSA-N 2 0 158.289 1.182 10 0 ADAERP C[C@H]([NH3+])C(C)(C)C[NH+]1CCCC1 85678053 573115225 /nfs/dbraw/zinc/11/52/25/573115225.db2.gz KZMNKHGIWBPJMB-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP C[NH2+][C@H](C[C@H]1CCC[NH2+]1)c1ccc[nH]1 259523476 573597940 /nfs/dbraw/zinc/59/79/40/573597940.db2.gz UGTPPIZQLUEOQM-MWLCHTKSSA-N 2 0 193.294 1.417 10 0 ADAERP C[C@@H]([NH3+])C[C@H]([NH3+])c1cccc(F)c1 259334789 573122427 /nfs/dbraw/zinc/12/24/27/573122427.db2.gz LILHAQSAXLLPSA-XCBNKYQSSA-N 2 0 182.242 1.563 10 0 ADAERP 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1.598 10 0 ADAERP C[C@@H]1CCC[C@@]([C@@H](C)N)([NH+](C)C)C1 85753794 573137781 /nfs/dbraw/zinc/13/77/81/573137781.db2.gz DEZVNEVAZDSXNX-GMTAPVOTSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 308504069 573151061 /nfs/dbraw/zinc/15/10/61/573151061.db2.gz CNGRGJFDQJGNQB-UTUOFQBUSA-N 2 0 198.354 1.948 10 0 ADAERP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C2CCCC2)C1 82645511 573146902 /nfs/dbraw/zinc/14/69/02/573146902.db2.gz MWYQJXYVPDQRNH-MNOVXSKESA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C2CCCC2)C1 82645509 573147465 /nfs/dbraw/zinc/14/74/65/573147465.db2.gz MWYQJXYVPDQRNH-GHMZBOCLSA-N 2 0 196.338 1.988 10 0 ADAERP CC(C)[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 308504067 573151084 /nfs/dbraw/zinc/15/10/84/573151084.db2.gz CNGRGJFDQJGNQB-GRYCIOLGSA-N 2 0 198.354 1.948 10 0 ADAERP C[NH2+]CC1([C@H]([NH2+]C)c2cc[nH]c2)CC1 259601835 573150850 /nfs/dbraw/zinc/15/08/50/573150850.db2.gz YCOGXNDUDNJHQZ-SNVBAGLBSA-N 2 0 193.294 1.275 10 0 ADAERP 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198.310 1.054 10 0 ADAERP C[NH2+]CCC[C@@H]([NH2+]C)c1cc[nH]c1 259376206 573212075 /nfs/dbraw/zinc/21/20/75/573212075.db2.gz LRYRPTWNGRXYMU-SNVBAGLBSA-N 2 0 181.283 1.275 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1C[C@H](C)C[C@@H]1C 123845272 573212089 /nfs/dbraw/zinc/21/20/89/573212089.db2.gz CWQFHEZVYBBCNS-UTLUCORTSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]([NH3+])c1csc([C@@H]2CCC[NH2+]2)n1 257971658 573212233 /nfs/dbraw/zinc/21/22/33/573212233.db2.gz HALGPAIDCWQZFZ-BQBZGAKWSA-N 2 0 197.307 1.587 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[NH3+])C1 257760062 573212335 /nfs/dbraw/zinc/21/23/35/573212335.db2.gz UCHAYKHSRSGHQU-TUAOUCFPSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]([NH3+])c1csc([C@H]2CCC[NH2+]2)n1 257971660 573212467 /nfs/dbraw/zinc/21/24/67/573212467.db2.gz HALGPAIDCWQZFZ-NKWVEPMBSA-N 2 0 197.307 1.587 10 0 ADAERP CCC([NH3+])(CC)C[NH2+][C@@H]1CC12CC2 715670169 573215552 /nfs/dbraw/zinc/21/55/52/573215552.db2.gz ZGMYLNGUACLEHD-SECBINFHSA-N 2 0 182.311 1.646 10 0 ADAERP 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1.716 10 0 ADAERP CCC[C@H](C[C@@H]1CCC[NH2+]C1)[NH2+]C 259466492 573481292 /nfs/dbraw/zinc/48/12/92/573481292.db2.gz PWJKAZCQWOVGGT-WDEREUQCSA-N 2 0 184.327 1.764 10 0 ADAERP COCCC[NH2+]CCCC(C)(C)[NH3+] 258675467 573483478 /nfs/dbraw/zinc/48/34/78/573483478.db2.gz HURTWARHVVNJHG-UHFFFAOYSA-N 2 0 188.315 1.130 10 0 ADAERP C[C@@H]([NH3+])C[C@H]([NH3+])c1ccccc1F 259470893 573483515 /nfs/dbraw/zinc/48/35/15/573483515.db2.gz RTOKQPRJGNLZKJ-XCBNKYQSSA-N 2 0 182.242 1.563 10 0 ADAERP C[NH2+][C@@H](CC(C)(C)C[NH3+])C1CCC1 259106892 573483563 /nfs/dbraw/zinc/48/35/63/573483563.db2.gz APWCPXDTIXZFAY-JTQLQIEISA-N 2 0 184.327 1.750 10 0 ADAERP CC1(C)C[C@@H]([C@@H]2CC[NH2+]C2)CC[NH2+]1 258497425 573483640 /nfs/dbraw/zinc/48/36/40/573483640.db2.gz JRAJDIITFFKJAG-VHSXEESVSA-N 2 0 182.311 1.374 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@]2(C)C[C@@H]2[NH3+])C1 259471619 573483690 /nfs/dbraw/zinc/48/36/90/573483690.db2.gz WSOVWLMQEWULHI-LPEHRKFASA-N 2 0 168.284 1.066 10 0 ADAERP Cc1ccc([C@H]([NH3+])C2C[NH2+]C2)cc1C 259470697 573483815 /nfs/dbraw/zinc/48/38/15/573483815.db2.gz RRRQHTFUDUSAMF-LBPRGKRZSA-N 2 0 190.290 1.523 10 0 ADAERP C[C@@H](C[NH3+])CC[N@H+]1C[C@H]2CCC[C@H]2C1 126315796 573483870 /nfs/dbraw/zinc/48/38/70/573483870.db2.gz UFZPVFKYBGCXFZ-UTUOFQBUSA-N 2 0 196.338 1.703 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259106845 573483945 /nfs/dbraw/zinc/48/39/45/573483945.db2.gz AZKHYYRFAGYRDF-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)CC[NH2+]CC1(C[NH3+])CC1 258676028 573484072 /nfs/dbraw/zinc/48/40/72/573484072.db2.gz OWGNTZGZNHPSBP-UHFFFAOYSA-N 2 0 170.300 1.361 10 0 ADAERP CC1(C)C[C@@H]([C@H]2CC[NH2+]C2)CC[NH2+]1 258497422 573484100 /nfs/dbraw/zinc/48/41/00/573484100.db2.gz JRAJDIITFFKJAG-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP C[N@@H+]1CC=C(c2ccc(C[NH3+])cc2)C1 257819490 573484151 /nfs/dbraw/zinc/48/41/51/573484151.db2.gz FLDGAIFNWVIJNB-UHFFFAOYSA-N 2 0 188.274 1.474 10 0 ADAERP CC[C@H](C[NH3+])CC1CC[NH+](C)CC1 259470870 573484203 /nfs/dbraw/zinc/48/42/03/573484203.db2.gz RTIKQQXBUYRNSJ-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)[NH2+]1 238415693 573484237 /nfs/dbraw/zinc/48/42/37/573484237.db2.gz KOXLLAPFFZVVHS-VWYCJHECSA-N 2 0 182.311 1.659 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CC[N@H+](C)C2)CC[NH2+]1 258694502 573496111 /nfs/dbraw/zinc/49/61/11/573496111.db2.gz ZGWNIPLHMSMKCC-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP Cc1ccc(CC[NH2+]C[C@@H](C)C[NH3+])o1 258694327 573495327 /nfs/dbraw/zinc/49/53/27/573495327.db2.gz GFDRZRHJJAMQTP-VIFPVBQESA-N 2 0 196.294 1.315 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC(F)F 308394191 573495365 /nfs/dbraw/zinc/49/53/65/573495365.db2.gz CHFQUKVSYGFVQD-YUMQZZPRSA-N 2 0 192.253 1.359 10 0 ADAERP C[C@@H](CNc1cc[nH+]cc1)C[NH+](C)C 308593691 573495392 /nfs/dbraw/zinc/49/53/92/573495392.db2.gz XCHNLYNMJQGZHN-JTQLQIEISA-N 2 0 193.294 1.691 10 0 ADAERP CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)CC1 83424098 573495410 /nfs/dbraw/zinc/49/54/10/573495410.db2.gz CCSQRZJDVOQBID-NWDGAFQWSA-N 2 0 196.338 1.718 10 0 ADAERP CCC[N@@H+]1CCC/C(=C\C[NH3+])CC1 83424072 573495451 /nfs/dbraw/zinc/49/54/51/573495451.db2.gz BHIFUOJMDVAGBU-VZUCSPMQSA-N 2 0 182.311 1.767 10 0 ADAERP CCCC[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 83426144 573495491 /nfs/dbraw/zinc/49/54/91/573495491.db2.gz FNGAUDKYJXEOIL-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP C[N@@H+]1CCC[C@@H]1CCC1([NH3+])CCC1 258041611 573495546 /nfs/dbraw/zinc/49/55/46/573495546.db2.gz OKPQSFDMHVZDRZ-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H](CC[NH3+])CC1 83423983 573495584 /nfs/dbraw/zinc/49/55/84/573495584.db2.gz QOANXISOZXMUFT-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)(CC[NH3+])C[NH2+]C1CCCC1 258684945 573495627 /nfs/dbraw/zinc/49/56/27/573495627.db2.gz ISFORJMWVNLSNX-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)C[NH3+] 259477640 573495633 /nfs/dbraw/zinc/49/56/33/573495633.db2.gz PNOGHZAUIODARZ-PWSUYJOCSA-N 2 0 192.306 1.850 10 0 ADAERP C[C@H]([NH3+])c1cccn2c[nH+]cc12 107308478 573495673 /nfs/dbraw/zinc/49/56/73/573495673.db2.gz MHEHMTWYENIULA-ZETCQYMHSA-N 2 0 161.208 1.354 10 0 ADAERP C[C@@H]([NH3+])c1cccn2c[nH+]cc12 107308481 573495772 /nfs/dbraw/zinc/49/57/72/573495772.db2.gz MHEHMTWYENIULA-SSDOTTSWSA-N 2 0 161.208 1.354 10 0 ADAERP CC(F)(F)CC[NH2+]CC1(C[NH3+])CC1 393638726 573495796 /nfs/dbraw/zinc/49/57/96/573495796.db2.gz QSFARKCIFBUYCP-UHFFFAOYSA-N 2 0 192.253 1.360 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CCc1cccs1 258690058 573495897 /nfs/dbraw/zinc/49/58/97/573495897.db2.gz FSYNFTMFQWQOMV-MRVPVSSYSA-N 2 0 184.308 1.227 10 0 ADAERP C[C@@H]1C[C@@H]([C@H]2CC[N@H+](C)C2)CC[NH2+]1 258694513 573495943 /nfs/dbraw/zinc/49/59/43/573495943.db2.gz ZGWNIPLHMSMKCC-VWYCJHECSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H](CCCC[NH3+])[N@@H+]1CC[C@@H](F)C1 689812657 573496001 /nfs/dbraw/zinc/49/60/01/573496001.db2.gz BBYABAHTQSMIJP-NXEZZACHSA-N 2 0 188.290 1.548 10 0 ADAERP Cc1c[nH+]c2n1[C@H](C[NH3+])CCC2 107312084 573503633 /nfs/dbraw/zinc/50/36/33/573503633.db2.gz UWXQJJIKTWZVIZ-QMMMGPOBSA-N 2 0 165.240 1.028 10 0 ADAERP C[NH+]1CCC([C@@]2(C)CCCC[NH2+]2)CC1 258049228 573503676 /nfs/dbraw/zinc/50/36/76/573503676.db2.gz DBPQEPSSVZDYHD-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+]CC[C@@H]([NH3+])C1CCCCC1 259110524 573502860 /nfs/dbraw/zinc/50/28/60/573502860.db2.gz BMGXSLAELQEWMI-SNVBAGLBSA-N 2 0 170.300 1.504 10 0 ADAERP CC[N@@H+]1CCC[C@H](CCC2([NH3+])CC2)C1 258049280 573503110 /nfs/dbraw/zinc/50/31/10/573503110.db2.gz OYFFXCXCOPYDGW-LLVKDONJSA-N 2 0 196.338 1.990 10 0 ADAERP C[NH+](C)[C@H](c1cc[nH]c1)C(C)(C)C[NH3+] 259479799 573503210 /nfs/dbraw/zinc/50/32/10/573503210.db2.gz KQJIOSHCSPTXQU-SNVBAGLBSA-N 2 0 195.310 1.602 10 0 ADAERP C[NH2+][C@@H](C(C)(C)C)C1([NH3+])CC1 259109390 573503219 /nfs/dbraw/zinc/50/32/19/573503219.db2.gz FQNMBKBCHXCQED-ZETCQYMHSA-N 2 0 156.273 1.112 10 0 ADAERP CC[NH+](CC)C[C@@H](C[NH2+]C)C(C)C 258711342 573503255 /nfs/dbraw/zinc/50/32/55/573503255.db2.gz SLNJSSIMPPJYJY-LLVKDONJSA-N 2 0 186.343 1.820 10 0 ADAERP CC[C@H](C[NH3+])[C@@H]([NH2+]C)c1ccncc1 259109323 573503310 /nfs/dbraw/zinc/50/33/10/573503310.db2.gz FPVFJRWTMKQRHJ-MWLCHTKSSA-N 2 0 193.294 1.327 10 0 ADAERP C[C@H](CC[NH3+])[C@H]([NH3+])C1CCCCC1 259479607 573503317 /nfs/dbraw/zinc/50/33/17/573503317.db2.gz SHOVMIXCADHNDA-KOLCDFICSA-N 2 0 184.327 1.879 10 0 ADAERP CC(C)[C@@]1([C@@H]2CCC[NH2+]C2)CCC[NH2+]1 258049190 573503321 /nfs/dbraw/zinc/50/33/21/573503321.db2.gz DALBIJQOBYKJCV-VXGBXAGGSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H](/C=C\C[NH3+])C1 258049202 573503372 /nfs/dbraw/zinc/50/33/72/573503372.db2.gz DAXUPYKPVRGECP-MZBZXASESA-N 2 0 182.311 1.622 10 0 ADAERP CC[NH+](CC)C[C@@H](C)n1cc[nH+]c1N 233437376 573503426 /nfs/dbraw/zinc/50/34/26/573503426.db2.gz LHBPYAMUDDZCJP-SECBINFHSA-N 2 0 196.298 1.368 10 0 ADAERP C[NH2+]CC[C@H]([NH3+])C1CCCCC1 259110523 573503455 /nfs/dbraw/zinc/50/34/55/573503455.db2.gz BMGXSLAELQEWMI-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)(C[NH3+])C[NH2+]CCc1ccc[nH]1 258709904 573503526 /nfs/dbraw/zinc/50/35/26/573503526.db2.gz HUGWRXAQKKKQFI-UHFFFAOYSA-N 2 0 195.310 1.132 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])C1CCCCC1 259479610 573503549 /nfs/dbraw/zinc/50/35/49/573503549.db2.gz SHOVMIXCADHNDA-MWLCHTKSSA-N 2 0 184.327 1.879 10 0 ADAERP CC(C)CC[NH2+]CC[C@H]1CC[NH2+]C1 258716152 573503550 /nfs/dbraw/zinc/50/35/50/573503550.db2.gz LLRCVFSZGDXZGG-NSHDSACASA-N 2 0 184.327 1.622 10 0 ADAERP CC[C@@H]([C@H](C[NH2+]C)C(C)C)[NH+](C)C 259479633 573503620 /nfs/dbraw/zinc/50/36/20/573503620.db2.gz KODBOADLQBLUOP-MNOVXSKESA-N 2 0 186.343 1.818 10 0 ADAERP CC(C)[C@H]1CCC[C@]([NH3+])(C[NH3+])CC1 83437695 573504948 /nfs/dbraw/zinc/50/49/48/573504948.db2.gz FDTYQPSHKGECDJ-WDEREUQCSA-N 2 0 184.327 1.879 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 86599089 573505034 /nfs/dbraw/zinc/50/50/34/573505034.db2.gz YCIORUYAZRJYPA-NXEZZACHSA-N 2 0 170.300 1.469 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@@H]1CCC[NH2+]C1 259108874 573505037 /nfs/dbraw/zinc/50/50/37/573505037.db2.gz ASTLOUNJCSUSGS-GHMZBOCLSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)[C@@H]([NH3+])CCC(C)(C)[NH3+] 259481074 573505062 /nfs/dbraw/zinc/50/50/62/573505062.db2.gz SJGCGURVMZUYHR-QMMMGPOBSA-N 2 0 158.289 1.487 10 0 ADAERP CC[NH+](CC)C[C@H](C[NH2+]C)C(C)C 258711345 573505151 /nfs/dbraw/zinc/50/51/51/573505151.db2.gz SLNJSSIMPPJYJY-NSHDSACASA-N 2 0 186.343 1.820 10 0 ADAERP C[NH2+][C@H]1CCC[C@H]([NH+]2CCCC2)C1 86598836 573505438 /nfs/dbraw/zinc/50/54/38/573505438.db2.gz LCIFUSZDPXHTQO-QWRGUYRKSA-N 2 0 182.311 1.613 10 0 ADAERP CC(C)[C@]1([C@@H]2CCC[NH2+]C2)CCC[NH2+]1 258049181 573505463 /nfs/dbraw/zinc/50/54/63/573505463.db2.gz DALBIJQOBYKJCV-NEPJUHHUSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H](/C=C\C[NH3+])C1 258049204 573505480 /nfs/dbraw/zinc/50/54/80/573505480.db2.gz DAXUPYKPVRGECP-USEMIUTHSA-N 2 0 182.311 1.622 10 0 ADAERP C[C@H](C[NH3+])[C@H]([NH3+])c1cccs1 259110475 573505530 /nfs/dbraw/zinc/50/55/30/573505530.db2.gz BLGLDVHHACARPV-SVRRBLITSA-N 2 0 170.281 1.343 10 0 ADAERP C[C@@H]([NH3+])Cc1ccccc1C[NH+](C)C 258050477 573507010 /nfs/dbraw/zinc/50/70/10/573507010.db2.gz KPWCBOYUQBAULH-SNVBAGLBSA-N 2 0 192.306 1.638 10 0 ADAERP CC(C)[C@H]([NH3+])CCC(C)(C)[NH3+] 259481073 573507017 /nfs/dbraw/zinc/50/70/17/573507017.db2.gz SJGCGURVMZUYHR-MRVPVSSYSA-N 2 0 158.289 1.487 10 0 ADAERP CN[C@@H](C[C@@H](C)[NH3+])c1ccccn1 259141118 573606651 /nfs/dbraw/zinc/60/66/51/573606651.db2.gz BDNXCYUOQSAMBK-SCZZXKLOSA-N 2 0 179.267 1.079 10 0 ADAERP C[NH2+]CC1([C@H]2CC[N@H+](C)C2)CCC1 259139897 573606684 /nfs/dbraw/zinc/60/66/84/573606684.db2.gz HKADWDZEMBUAOF-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP C[NH2+]CC1([C@@H]2CC[N@H+](C)C2)CCC1 259139901 573606723 /nfs/dbraw/zinc/60/67/23/573606723.db2.gz HKADWDZEMBUAOF-SNVBAGLBSA-N 2 0 182.311 1.328 10 0 ADAERP CC(C)[C@]1([C@H]2CCC[NH2+]C2)CCC[NH2+]1 258049187 573506662 /nfs/dbraw/zinc/50/66/62/573506662.db2.gz DALBIJQOBYKJCV-RYUDHWBXSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H]1CCC[C@@]([NH3+])(C[NH3+])CC1 83436009 573506687 /nfs/dbraw/zinc/50/66/87/573506687.db2.gz QXQPCIKRZDZXAV-UWVGGRQHSA-N 2 0 170.300 1.633 10 0 ADAERP COc1cccc([C@@H]([NH3+])CCC[NH3+])c1 259479425 573506737 /nfs/dbraw/zinc/50/67/37/573506737.db2.gz SGHNPUPLVFDXJX-NSHDSACASA-N 2 0 194.278 1.434 10 0 ADAERP C[NH2+]C[C@H](C[NH+](C)C)C(C)C 258715643 573506753 /nfs/dbraw/zinc/50/67/53/573506753.db2.gz SWQHLZGDLZWCSG-SECBINFHSA-N 2 0 158.289 1.040 10 0 ADAERP CCC[C@@H]([C@H](C)CC[NH3+])[NH+](C)C 259479595 573506866 /nfs/dbraw/zinc/50/68/66/573506866.db2.gz KNUNJTAMTDFXSV-ZJUUUORDSA-N 2 0 172.316 1.702 10 0 ADAERP CC(C)[C@H]1CCC[C@@]([NH3+])(C[NH3+])CC1 83437697 573506999 /nfs/dbraw/zinc/50/69/99/573506999.db2.gz FDTYQPSHKGECDJ-QWRGUYRKSA-N 2 0 184.327 1.879 10 0 ADAERP C[C@@H](C[NH3+])Cc1[nH+]cc2ccccn12 259482001 573508459 /nfs/dbraw/zinc/50/84/59/573508459.db2.gz MPFFDLTWZWCUIX-SECBINFHSA-N 2 0 189.262 1.472 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]([NH+]2CCCC2)C1 86598837 573507983 /nfs/dbraw/zinc/50/79/83/573507983.db2.gz LCIFUSZDPXHTQO-GHMZBOCLSA-N 2 0 182.311 1.613 10 0 ADAERP C[C@]12CC=CC[C@@]1(C)C[N@H+](CCN)C2 238419532 573508007 /nfs/dbraw/zinc/50/80/07/573508007.db2.gz OVHLDOMYCLXTFW-TXEJJXNPSA-N 2 0 194.322 1.623 10 0 ADAERP CC[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 86599090 573508039 /nfs/dbraw/zinc/50/80/39/573508039.db2.gz YCIORUYAZRJYPA-VHSXEESVSA-N 2 0 170.300 1.469 10 0 ADAERP C[C@@]12CC=CC[C@@]1(C)C[NH+](CCN)C2 238419225 573508193 /nfs/dbraw/zinc/50/81/93/573508193.db2.gz OVHLDOMYCLXTFW-RYUDHWBXSA-N 2 0 194.322 1.623 10 0 ADAERP C[C@H]1CCC[N@H+](CCCC(N)=[NH2+])[C@@H]1C 50565063 573514795 /nfs/dbraw/zinc/51/47/95/573514795.db2.gz GBYHCPGBEIOZKD-VHSXEESVSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+]CCC1CCCC1 258724806 573514827 /nfs/dbraw/zinc/51/48/27/573514827.db2.gz JEZYYYMVQDQCDG-JTQLQIEISA-N 2 0 184.327 1.751 10 0 ADAERP C[NH2+]CCC[NH2+]CCc1ccc(C)o1 258730276 573514854 /nfs/dbraw/zinc/51/48/54/573514854.db2.gz JXXDQCCNCCGCHH-UHFFFAOYSA-N 2 0 196.294 1.330 10 0 ADAERP C[NH2+]C[C@@H](C[NH+]1CCCCC1)C(C)C 258725659 573514251 /nfs/dbraw/zinc/51/42/51/573514251.db2.gz UOOZPCSOHQGBEF-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@H]([NH3+])c1coc([C@@H]2CC[N@H+](C)C2)n1 258051210 573514333 /nfs/dbraw/zinc/51/43/33/573514333.db2.gz KXOUQFRJHXERSZ-JGVFFNPUSA-N 2 0 195.266 1.113 10 0 ADAERP CCc1[nH+]c(CC[C@H](C)[NH3+])[nH]c1C 258726466 573514364 /nfs/dbraw/zinc/51/43/64/573514364.db2.gz OYIUCZUJVXITBG-ZETCQYMHSA-N 2 0 181.283 1.560 10 0 ADAERP CC(C)[NH2+]CC(C)(C)CC[NH3+] 258718832 573514394 /nfs/dbraw/zinc/51/43/94/573514394.db2.gz LMQFZJVDPSLXSC-UHFFFAOYSA-N 2 0 158.289 1.359 10 0 ADAERP C[N@H+](C(C)(C)C)C(C)(C)CC[NH3+] 258728725 573514596 /nfs/dbraw/zinc/51/45/96/573514596.db2.gz DZFRPZGFSYPYDB-UHFFFAOYSA-N 2 0 172.316 1.844 10 0 ADAERP Cc1noc([C@H]2CCC[N@H+]2C)c1C[NH3+] 257821963 573514692 /nfs/dbraw/zinc/51/46/92/573514692.db2.gz GFITYTBQDSEYKT-SECBINFHSA-N 2 0 195.266 1.208 10 0 ADAERP C[NH2+][C@@H]1CC[C@@H]([N@H+](C)C2CC2)C1 86618693 573522067 /nfs/dbraw/zinc/52/20/67/573522067.db2.gz SFWHVSDYLTXIJM-PSASIEDQSA-N 2 0 168.284 1.221 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]1CCC[N@@H+]1CCC1CC1 308613214 573522192 /nfs/dbraw/zinc/52/21/92/573522192.db2.gz ZACDPIHODMEDRJ-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+][C@H]1CC[C@H]([NH+]2CCCCC2)C1 86618445 573521447 /nfs/dbraw/zinc/52/14/47/573521447.db2.gz HCMRQHNQSFPIEH-QWRGUYRKSA-N 2 0 182.311 1.613 10 0 ADAERP CC[NH2+][C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C)C2)C1 86619025 573521628 /nfs/dbraw/zinc/52/16/28/573521628.db2.gz FRNATULABJWNML-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)(C)C[NH2+][C@H]1C[NH2+]C(C)(C)C1 258730684 573521669 /nfs/dbraw/zinc/52/16/69/573521669.db2.gz HFSLFYOXAUAZFJ-SECBINFHSA-N 2 0 184.327 1.763 10 0 ADAERP [NH3+]CCc1cnc([C@@H]2CCC[NH2+]2)s1 258057647 573521768 /nfs/dbraw/zinc/52/17/68/573521768.db2.gz LFFWIOSQAFHNNS-QMMMGPOBSA-N 2 0 197.307 1.069 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C[C@@H](C)C[NH3+])C1 259486732 573521774 /nfs/dbraw/zinc/52/17/74/573521774.db2.gz PAMLUOLJLPUJEV-GHMZBOCLSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C[C@H](C)C[NH3+])C1 259486744 573521890 /nfs/dbraw/zinc/52/18/90/573521890.db2.gz PAMLUOLJLPUJEV-WDEREUQCSA-N 2 0 184.327 1.702 10 0 ADAERP CC[NH2+][C@@H]1CC[C@H]([N@@H+]2CC[C@H](C)C2)C1 86619023 573521938 /nfs/dbraw/zinc/52/19/38/573521938.db2.gz FRNATULABJWNML-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]([NH+](C)C)C(C)(C)C[NH3+] 259489472 573522017 /nfs/dbraw/zinc/52/20/17/573522017.db2.gz LCEOZWZGVKBOCG-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP C[NH2+][C@@H]([C@H]1CCCC[NH2+]1)C(C)(C)C 259486625 573522412 /nfs/dbraw/zinc/52/24/12/573522412.db2.gz QZYUAAMWYFKPKB-ZJUUUORDSA-N 2 0 184.327 1.763 10 0 ADAERP C[NH2+][C@@H]1CC[C@H]([NH+]2CCC(C)CC2)C1 86618280 573522452 /nfs/dbraw/zinc/52/24/52/573522452.db2.gz NAHBUYDTCKLSAI-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP Cc1ccc([C@H]([NH3+])C[C@H]2CC[NH2+]C2)o1 259486938 573522472 /nfs/dbraw/zinc/52/24/72/573522472.db2.gz SQLBNRJMLRAKOJ-NXEZZACHSA-N 2 0 194.278 1.587 10 0 ADAERP [NH3+]Cc1ccc(CC[NH+]2CCC2)cc1 257826810 573522614 /nfs/dbraw/zinc/52/26/14/573522614.db2.gz HRDRCWIZHFNHQP-UHFFFAOYSA-N 2 0 190.290 1.394 10 0 ADAERP C[NH2+][C@H]([C@H]1CCCC[NH2+]1)C(C)(C)C 259486617 573522707 /nfs/dbraw/zinc/52/27/07/573522707.db2.gz QZYUAAMWYFKPKB-NXEZZACHSA-N 2 0 184.327 1.763 10 0 ADAERP C[NH2+][C@@H]1CC[C@H]([NH+]2CCCC2)C1 86618291 573522797 /nfs/dbraw/zinc/52/27/97/573522797.db2.gz JKFCOSMNVSIJSB-ZJUUUORDSA-N 2 0 168.284 1.223 10 0 ADAERP [NH3+]CCc1cnc([C@H]2CCC[NH2+]2)s1 258057643 573522826 /nfs/dbraw/zinc/52/28/26/573522826.db2.gz LFFWIOSQAFHNNS-MRVPVSSYSA-N 2 0 197.307 1.069 10 0 ADAERP C[NH2+][C@H]1CC[C@H]([NH+]2CCC(C)CC2)C1 86618278 573522844 /nfs/dbraw/zinc/52/28/44/573522844.db2.gz NAHBUYDTCKLSAI-RYUDHWBXSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@H](c1ccncc1)C(C)(C)C[NH3+] 259489668 573522919 /nfs/dbraw/zinc/52/29/19/573522919.db2.gz RGFBAMPENJWZGN-SNVBAGLBSA-N 2 0 193.294 1.327 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])c1ccccc1C 259489636 573523030 /nfs/dbraw/zinc/52/30/30/573523030.db2.gz RFXLTTJTDWWKKA-LBPRGKRZSA-N 2 0 192.306 1.994 10 0 ADAERP C[NH2+]CCC[C@@H](c1ccc[nH]1)[NH+](C)C 259487552 573523609 /nfs/dbraw/zinc/52/36/09/573523609.db2.gz KZJIMCUDHPHGIO-NSHDSACASA-N 2 0 195.310 1.617 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](C[C@@H](C)C[NH3+])C1 259486736 573523645 /nfs/dbraw/zinc/52/36/45/573523645.db2.gz PAMLUOLJLPUJEV-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)(C[NH3+])[C@@H]([NH3+])C1CCC1 259485340 573523660 /nfs/dbraw/zinc/52/36/60/573523660.db2.gz SPLDWMVTELWAHW-QMMMGPOBSA-N 2 0 156.273 1.099 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C[C@H]2CC[NH2+]C2)o1 259486950 573523805 /nfs/dbraw/zinc/52/38/05/573523805.db2.gz SQLBNRJMLRAKOJ-ZJUUUORDSA-N 2 0 194.278 1.587 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C[C@@H]2CC[NH2+]C2)o1 259486943 573523952 /nfs/dbraw/zinc/52/39/52/573523952.db2.gz SQLBNRJMLRAKOJ-UWVGGRQHSA-N 2 0 194.278 1.587 10 0 ADAERP C[C@H]([NH3+])c1ccc(C[NH3+])c(F)c1 238425766 573524026 /nfs/dbraw/zinc/52/40/26/573524026.db2.gz PTLKIDBBUKQCNI-LURJTMIESA-N 2 0 168.215 1.304 10 0 ADAERP C[C@H](CC[NH+]1CCCC1)[NH2+]CC1CC1 308605921 573524049 /nfs/dbraw/zinc/52/40/49/573524049.db2.gz BTRVHDNIRRIVFO-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@H](C)CC[NH3+] 259111166 573524062 /nfs/dbraw/zinc/52/40/62/573524062.db2.gz AWAFVPRYEKIUBL-MWLCHTKSSA-N 2 0 184.327 1.750 10 0 ADAERP C[NH2+][C@@H](c1ccncc1)C(C)(C)C[NH3+] 259489665 573524155 /nfs/dbraw/zinc/52/41/55/573524155.db2.gz RGFBAMPENJWZGN-JTQLQIEISA-N 2 0 193.294 1.327 10 0 ADAERP C[C@H]([NH3+])c1ccc(CC[NH3+])cc1 238425703 573524245 /nfs/dbraw/zinc/52/42/45/573524245.db2.gz LCVOVPPBYWDSOI-QMMMGPOBSA-N 2 0 164.252 1.208 10 0 ADAERP C[C@@H]([NH3+])[C@@](C)(F)C1CC[NH2+]CC1 257827477 573527319 /nfs/dbraw/zinc/52/73/19/573527319.db2.gz HWYGBGNRTRZMEA-VXNVDRBHSA-N 2 0 174.263 1.061 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@@H](C)[NH3+] 259490480 573527334 /nfs/dbraw/zinc/52/73/34/573527334.db2.gz QEUKALPBUUAOHA-VXNVDRBHSA-N 2 0 156.273 1.112 10 0 ADAERP C[NH2+][C@H](c1ccccc1)[C@H]1CC[NH2+]C1 257827155 573527336 /nfs/dbraw/zinc/52/73/36/573527336.db2.gz HVNWQAVIPHYNFT-NWDGAFQWSA-N 2 0 190.290 1.557 10 0 ADAERP Cc1[nH]c(CCC(C)(C)[NH3+])[nH+]c1C 258750011 573526599 /nfs/dbraw/zinc/52/65/99/573526599.db2.gz RADHEJHGCGIZDD-UHFFFAOYSA-N 2 0 181.283 1.696 10 0 ADAERP CC[C@@H](C)[NH2+]CC(C)(C)CC[NH3+] 258744028 573526654 /nfs/dbraw/zinc/52/66/54/573526654.db2.gz NRZVBOKOTCUQGR-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CC(C)(C)CC[NH2+]1 238425414 573527124 /nfs/dbraw/zinc/52/71/24/573527124.db2.gz AZXKUQOVHAEHSA-IUCAKERBSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]1CC(C)(C)CC[NH2+]1 238425809 573527147 /nfs/dbraw/zinc/52/71/47/573527147.db2.gz AZXKUQOVHAEHSA-RKDXNWHRSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)(C[NH3+])C[C@H]([NH3+])C1CCC1 259491520 573527209 /nfs/dbraw/zinc/52/72/09/573527209.db2.gz TUWDHAKTPYCXLC-VIFPVBQESA-N 2 0 170.300 1.489 10 0 ADAERP CCC[N@H+](C)C(C)(C)CC[NH3+] 258748028 573527269 /nfs/dbraw/zinc/52/72/69/573527269.db2.gz GGYBOQPYWXWQME-UHFFFAOYSA-N 2 0 158.289 1.456 10 0 ADAERP C[NH2+][C@H](C1CCC1)[C@H]1CCC[NH2+]1 259499325 573542653 /nfs/dbraw/zinc/54/26/53/573542653.db2.gz RXWLUKQCNZLNJZ-NXEZZACHSA-N 2 0 168.284 1.127 10 0 ADAERP C[C@@H]([NH3+])Cc1ncc2cccc(F)n12 107356556 573542739 /nfs/dbraw/zinc/54/27/39/573542739.db2.gz KHPYWGLSKCMESU-SSDOTTSWSA-N 2 0 193.225 1.363 10 0 ADAERP C[C@]12CCCC[C@@]1(C)C[N@H+](CCN)C2 238434487 573542761 /nfs/dbraw/zinc/54/27/61/573542761.db2.gz BSACSQJSCRYXNF-TXEJJXNPSA-N 2 0 196.338 1.847 10 0 ADAERP CC(C)C[C@H]([NH3+])C[C@@H]1CCCC[NH2+]1 259500742 573541879 /nfs/dbraw/zinc/54/18/79/573541879.db2.gz ULQICBCLRNKCBN-QWRGUYRKSA-N 2 0 184.327 1.892 10 0 ADAERP C[NH2+][C@@H](C1CCC1)[C@@H]1CCC[NH2+]1 259499329 573541967 /nfs/dbraw/zinc/54/19/67/573541967.db2.gz RXWLUKQCNZLNJZ-UWVGGRQHSA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+]CCCc1cnc2ccc(F)cn12 107356527 573541988 /nfs/dbraw/zinc/54/19/88/573541988.db2.gz SSTIGXDBPCEQLV-UHFFFAOYSA-N 2 0 193.225 1.365 10 0 ADAERP [NH3+]CCCc1cncn1C(F)(F)F 107356077 573542020 /nfs/dbraw/zinc/54/20/20/573542020.db2.gz JLUSAAUHCUYATR-UHFFFAOYSA-N 2 0 193.172 1.251 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[C@@H]1CCCC[NH2+]1 259500740 573542160 /nfs/dbraw/zinc/54/21/60/573542160.db2.gz ULQICBCLRNKCBN-MNOVXSKESA-N 2 0 184.327 1.892 10 0 ADAERP c1ncn2c1[C@H]([C@H]1CC[NH2+]C1)CCC2 107353593 573542165 /nfs/dbraw/zinc/54/21/65/573542165.db2.gz DHGJMABMSZOLME-UWVGGRQHSA-N 2 0 191.278 1.370 10 0 ADAERP C[C@@H]1CC[C@@H](C(C)(C)[NH3+])[C@@H]([NH3+])C1 238435143 573542180 /nfs/dbraw/zinc/54/21/80/573542180.db2.gz VVDBUDXVGIHIRD-HLTSFMKQSA-N 2 0 170.300 1.487 10 0 ADAERP c1ncn2c1[C@@H]([C@@H]1CC[NH2+]C1)CCC2 107353589 573542352 /nfs/dbraw/zinc/54/23/52/573542352.db2.gz DHGJMABMSZOLME-NXEZZACHSA-N 2 0 191.278 1.370 10 0 ADAERP C[C@@H]1[C@@H]([NH3+])c2ccccc2C[C@@]1(C)[NH3+] 238434987 573542372 /nfs/dbraw/zinc/54/23/72/573542372.db2.gz YZENEILPLCVJNO-GGZOMVNGSA-N 2 0 190.290 1.596 10 0 ADAERP C[C@H]([NH3+])Cc1cnc2ccc(F)cn12 107356531 573542427 /nfs/dbraw/zinc/54/24/27/573542427.db2.gz LJEXFAUXDHFHQP-ZETCQYMHSA-N 2 0 193.225 1.363 10 0 ADAERP CCC[NH2+]CCC(C)(C)C[NH3+] 258764139 573542549 /nfs/dbraw/zinc/54/25/49/573542549.db2.gz PFMJVZFSLZIMRD-UHFFFAOYSA-N 2 0 158.289 1.361 10 0 ADAERP C[C@H]([NH+]1CCCC1)C(C)(C)[NH3+] 259500976 573544873 /nfs/dbraw/zinc/54/48/73/573544873.db2.gz YSNCXEHSAQNCCS-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@@H]([NH+]1CCCC1)C(C)(C)[NH3+] 259500974 573544306 /nfs/dbraw/zinc/54/43/06/573544306.db2.gz YSNCXEHSAQNCCS-MRVPVSSYSA-N 2 0 156.273 1.208 10 0 ADAERP Cc1cccc([C@H]([NH3+])C(C)(C)C[NH3+])c1 259500824 573544973 /nfs/dbraw/zinc/54/49/73/573544973.db2.gz UMFGBAXJPNSUJN-NSHDSACASA-N 2 0 192.306 1.980 10 0 ADAERP CC1(C)C[C@H]([NH2+]C2CCCC2)C[NH2+]1 258770063 573544494 /nfs/dbraw/zinc/54/44/94/573544494.db2.gz PTNBDNUFVYOURX-JTQLQIEISA-N 2 0 182.311 1.659 10 0 ADAERP CSCC[C@@H]([NH3+])[C@H]1CC[N@H+](C)C1 259111964 573555678 /nfs/dbraw/zinc/55/56/78/573555678.db2.gz KPHSJEVGNJJARN-DTWKUNHWSA-N 2 0 188.340 1.019 10 0 ADAERP [NH3+]Cc1cnccc1C[NH+]1CCCC1 257830240 573555737 /nfs/dbraw/zinc/55/57/37/573555737.db2.gz IYXQQIVNYYTNLA-UHFFFAOYSA-N 2 0 191.278 1.136 10 0 ADAERP CCCCC[NH2+]CC1CC([NH3+])C1 258775569 573555756 /nfs/dbraw/zinc/55/57/56/573555756.db2.gz QDSBJNBFWMZRLS-UHFFFAOYSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]([C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 86663283 573555784 /nfs/dbraw/zinc/55/57/84/573555784.db2.gz BWZARMZAICLBNR-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CCC1C[NH+]([C@H](C)[C@@H]2CCC[NH2+]C2)C1 86663290 573555839 /nfs/dbraw/zinc/55/58/39/573555839.db2.gz DKEQYRWKKLROSL-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP CC1C[NH+]([C@H](C)[C@@H]2CCC[NH2+]C2)C1 86663294 573555866 /nfs/dbraw/zinc/55/58/66/573555866.db2.gz VOXROWDEBZHVSX-GHMZBOCLSA-N 2 0 182.311 1.326 10 0 ADAERP C[N@@H+]1CCC[C@H](/C=C\CC[NH3+])C1 258061292 573555898 /nfs/dbraw/zinc/55/58/98/573555898.db2.gz DVBOHWIQUWWGKK-ODTOEKCJSA-N 2 0 168.284 1.233 10 0 ADAERP COc1ccc([C@@H]([NH3+])C[C@H](C)[NH3+])cc1 259505728 573555910 /nfs/dbraw/zinc/55/59/10/573555910.db2.gz UTGROECPGSKIIC-KWQFWETISA-N 2 0 194.278 1.432 10 0 ADAERP CCC1C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C1 86663142 573555938 /nfs/dbraw/zinc/55/59/38/573555938.db2.gz KDHIJVMPIJAERP-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP CC1C[NH+](C2CCC([NH3+])CC2)C1 86663457 573555961 /nfs/dbraw/zinc/55/59/61/573555961.db2.gz GGKIRMKSZGFFCZ-UHFFFAOYSA-N 2 0 168.284 1.208 10 0 ADAERP COc1ccc([C@@H]([NH3+])C[C@@H](C)[NH3+])cc1 259505727 573555982 /nfs/dbraw/zinc/55/59/82/573555982.db2.gz UTGROECPGSKIIC-KCJUWKMLSA-N 2 0 194.278 1.432 10 0 ADAERP C1CC2(C1)C[NH+](C1CC[NH2+]CC1)C2 86662942 573555986 /nfs/dbraw/zinc/55/59/86/573555986.db2.gz BLHPZNPCCIJECJ-UHFFFAOYSA-N 2 0 180.295 1.224 10 0 ADAERP C1CCC2(C1)C[NH+](C1CC[NH2+]CC1)C2 86662939 573555997 /nfs/dbraw/zinc/55/59/97/573555997.db2.gz MFGPSSYKRCDQKN-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP [NH3+]CCC[NH+]1CC2(CCCCCC2)C1 86663375 573556013 /nfs/dbraw/zinc/55/60/13/573556013.db2.gz WPAYEQPLIZAAGL-UHFFFAOYSA-N 2 0 196.338 1.991 10 0 ADAERP [NH3+]C1CCC([NH+]2CC3(CCC3)C2)CC1 86663464 573556116 /nfs/dbraw/zinc/55/61/16/573556116.db2.gz ZIOUJGSZKVVUIX-UHFFFAOYSA-N 2 0 194.322 1.742 10 0 ADAERP C[NH2+][C@H](C1CCCC1)C1CC([NH3+])C1 259506560 573556150 /nfs/dbraw/zinc/55/61/50/573556150.db2.gz SLBLAKUMZVYROM-VQXHTEKXSA-N 2 0 182.311 1.502 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]C[C@](C)([NH3+])C1CC1 308620221 573556289 /nfs/dbraw/zinc/55/62/89/573556289.db2.gz SUXBCIKMQGVCGG-PWSUYJOCSA-N 2 0 196.338 1.892 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+]C[C@@](C)([NH3+])C1CC1 308620219 573556313 /nfs/dbraw/zinc/55/63/13/573556313.db2.gz SUXBCIKMQGVCGG-CMPLNLGQSA-N 2 0 196.338 1.892 10 0 ADAERP C[NH2+][C@H](CC[C@H](C)[NH3+])c1ccncc1 259507761 573556347 /nfs/dbraw/zinc/55/63/47/573556347.db2.gz SLEOBOOYJOKHOQ-GXSJLCMTSA-N 2 0 193.294 1.470 10 0 ADAERP C[C@H](CC[NH3+])[NH+]1CC2(CCC2)C1 86681961 573567607 /nfs/dbraw/zinc/56/76/07/573567607.db2.gz PVSKBBNCVWABBK-SECBINFHSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@H](CC[NH3+])[NH+]1CC(C)(C)C1 86681910 573567717 /nfs/dbraw/zinc/56/77/17/573567717.db2.gz KVUDUDWILBYXOQ-MRVPVSSYSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+]C1CCC([N@@H+]2CC[C@H]2C)CC1 86680521 573567747 /nfs/dbraw/zinc/56/77/47/573567747.db2.gz IPGPNMDVMASQNL-KPPDAEKUSA-N 2 0 182.311 1.611 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1coc2ccccc12 259511444 573567153 /nfs/dbraw/zinc/56/71/53/573567153.db2.gz VDIJZJYQMKEDPE-SNVBAGLBSA-N 2 0 190.246 1.781 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[C@@]2(C)[NH2+]CCO2)C1 258781098 573567155 /nfs/dbraw/zinc/56/71/55/573567155.db2.gz XEGRCQPMNXFYRJ-QWRGUYRKSA-N 2 0 198.310 1.054 10 0 ADAERP CC[C@@H](C1CC1)[NH+]1CCC([NH2+]C)CC1 308624409 573567178 /nfs/dbraw/zinc/56/71/78/573567178.db2.gz ZIOBMUUTEZOIID-LBPRGKRZSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] 86679949 573567228 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168.284 1.210 10 0 ADAERP Cc1[nH]c(C[C@@H](C)C[NH3+])[nH+]c1C 258786547 573575260 /nfs/dbraw/zinc/57/52/60/573575260.db2.gz VJPFWKRTSLGZLV-ZCFIWIBFSA-N 2 0 167.256 1.164 10 0 ADAERP C[C@H]([NH3+])[C@H]1CC[N@@H+]2CCCC[C@H]12 107404479 573575305 /nfs/dbraw/zinc/57/53/05/573575305.db2.gz CTQOYBWNWBBGLX-IVZWLZJFSA-N 2 0 168.284 1.208 10 0 ADAERP CCCc1[nH+]c(CC[C@H](C)[NH3+])[nH]c1C 258786515 573575368 /nfs/dbraw/zinc/57/53/68/573575368.db2.gz VIYAVUCJSLZNBF-QMMMGPOBSA-N 2 0 195.310 1.950 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](C)CC12CCC2 107404552 573575423 /nfs/dbraw/zinc/57/54/23/573575423.db2.gz PQWIDTMKIDHMIZ-VIFPVBQESA-N 2 0 168.284 1.080 10 0 ADAERP C[C@H](C[NH3+])[C@@H]1CC[N@@H+]2CCC[C@H]12 107404450 573575474 /nfs/dbraw/zinc/57/54/74/573575474.db2.gz NTVMDKXBNWAUPA-KXUCPTDWSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@H]([NH3+])CCC[C@H](C)C[NH3+] 83684000 573589312 /nfs/dbraw/zinc/58/93/12/573589312.db2.gz QRUPFRPVZVXDNZ-YUMQZZPRSA-N 2 0 144.262 1.099 10 0 ADAERP CC1(C)CO[C@@](C)([C@H]2CCC[NH2+]C2)[NH2+]1 258813533 573589327 /nfs/dbraw/zinc/58/93/27/573589327.db2.gz YLPSLIJNNVCRKB-ONGXEEELSA-N 2 0 198.310 1.101 10 0 ADAERP C[C@@H]([NH3+])CCC[C@H]1CCC[N@H+](C)C1 259116928 573588832 /nfs/dbraw/zinc/58/88/32/573588832.db2.gz LGIKZHNEKRXRHP-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](C)[NH2+]CC[C@@H]1CCCC[NH2+]1 258810720 573588937 /nfs/dbraw/zinc/58/89/37/573588937.db2.gz UIWFKQZBWPEEPW-QWRGUYRKSA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)C[C@@H]([NH3+])[C@@H]1CCCC[NH2+]1 259521685 573588942 /nfs/dbraw/zinc/58/89/42/573588942.db2.gz VVBVGIAPTDQXOE-ZJUUUORDSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@H]1CCCC[NH2+]1 258810712 573589137 /nfs/dbraw/zinc/58/91/37/573589137.db2.gz UIWFKQZBWPEEPW-GHMZBOCLSA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)C[C@H]([NH3+])[C@@H]1CCCC[NH2+]1 259521682 573589194 /nfs/dbraw/zinc/58/91/94/573589194.db2.gz VVBVGIAPTDQXOE-UWVGGRQHSA-N 2 0 170.300 1.502 10 0 ADAERP CCc1ccc([C@@H](CC[NH3+])[NH2+]C)cc1 259117380 573589199 /nfs/dbraw/zinc/58/91/99/573589199.db2.gz AHFRCIVPPBRZMY-GFCCVEGCSA-N 2 0 192.306 1.858 10 0 ADAERP CCC(CC)C[NH2+]C[C@H](CC)C[NH3+] 130463277 573589201 /nfs/dbraw/zinc/58/92/01/573589201.db2.gz POSVPMPAPIDQEM-LLVKDONJSA-N 2 0 186.343 1.997 10 0 ADAERP CC[C@@H]1CC[NH2+][C@@H]([C@H](F)CC[NH3+])C1 130486961 573593500 /nfs/dbraw/zinc/59/35/00/573593500.db2.gz RHKQTQLINLADKX-OPRDCNLKSA-N 2 0 188.290 1.452 10 0 ADAERP CCC[C@H](CC(C)(C)[NH3+])[NH2+]C 259520308 573593572 /nfs/dbraw/zinc/59/35/72/573593572.db2.gz UCBCHZIZQZGQII-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP CCC[C@@H](C[C@H](C)C[NH3+])[NH+](C)C 259520593 573592840 /nfs/dbraw/zinc/59/28/40/573592840.db2.gz MTKCWTYDAXJILI-UWVGGRQHSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@@H]1C[N@H+](C)C[C@@H]2CCCC[C@@H]2[NH2+]1 82394836 573592941 /nfs/dbraw/zinc/59/29/41/573592941.db2.gz WFDHDDXEXFYNDK-VWYCJHECSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+]C(C)C 78724430 573592978 /nfs/dbraw/zinc/59/29/78/573592978.db2.gz APFJLGSHVRYWGE-QMMMGPOBSA-N 2 0 144.262 1.112 10 0 ADAERP CC1(C)CCC[N@H+](CCC(N)=[NH2+])CC1 83680617 573593048 /nfs/dbraw/zinc/59/30/48/573593048.db2.gz FCCTXFZURJNNDV-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP CC(C)C[C@@H]([NH3+])[C@H]1CCCC[NH2+]1 259521679 573593054 /nfs/dbraw/zinc/59/30/54/573593054.db2.gz VVBVGIAPTDQXOE-NXEZZACHSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)([NH3+])C[C@@H]([NH3+])C1CCCC1 259135695 573593124 /nfs/dbraw/zinc/59/31/24/573593124.db2.gz CNZSRBLYNHKAGH-SECBINFHSA-N 2 0 170.300 1.631 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@@H]1CCCC[NH2+]1 258810715 573593188 /nfs/dbraw/zinc/59/31/88/573593188.db2.gz UIWFKQZBWPEEPW-MNOVXSKESA-N 2 0 184.327 1.907 10 0 ADAERP C[N@@H+]1CC[C@H](C[C@@H]2[NH2+]CC(C)(C)O2)C1 258808912 573593215 /nfs/dbraw/zinc/59/32/15/573593215.db2.gz YGXMYTGIKMBMEY-NXEZZACHSA-N 2 0 198.310 1.053 10 0 ADAERP C[C@H](C[NH3+])CCC[C@@H](C)[NH3+] 83683998 573593355 /nfs/dbraw/zinc/59/33/55/573593355.db2.gz QRUPFRPVZVXDNZ-JGVFFNPUSA-N 2 0 144.262 1.099 10 0 ADAERP CCC[C@H]([NH2+]C)C1(C[NH2+]C)CCC1 259136557 573593459 /nfs/dbraw/zinc/59/34/59/573593459.db2.gz BVQMMFAGTGLROK-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)C[NH3+] 259524442 573597538 /nfs/dbraw/zinc/59/75/38/573597538.db2.gz SJDRJFWRMBRPNB-GXSJLCMTSA-N 2 0 178.279 1.542 10 0 ADAERP [NH3+]CCC[C@H]([NH3+])c1cccc(F)c1 259138440 573597031 /nfs/dbraw/zinc/59/70/31/573597031.db2.gz CQZSQSWLOAOYAO-JTQLQIEISA-N 2 0 182.242 1.564 10 0 ADAERP C[C@@H](C[NH3+])C[C@H]([NH3+])c1ccccn1 259138542 573597119 /nfs/dbraw/zinc/59/71/19/573597119.db2.gz CROSLSVFJLCAJK-BDAKNGLRSA-N 2 0 179.267 1.066 10 0 ADAERP C[NH2+][C@@H](C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 259523477 573597159 /nfs/dbraw/zinc/59/71/59/573597159.db2.gz UGTPPIZQLUEOQM-ONGXEEELSA-N 2 0 193.294 1.417 10 0 ADAERP CC[C@@]1(C[NH2+]CC(C)C)CCC[NH2+]1 215396668 573597177 /nfs/dbraw/zinc/59/71/77/573597177.db2.gz XSFNUYFDLTUZPS-NSHDSACASA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)[C@@]1([C@H]2CCC[NH2+]2)CCCC[NH2+]1 258070950 573597187 /nfs/dbraw/zinc/59/71/87/573597187.db2.gz FIOYWJOCSVBSHJ-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@]1(C[NH2+]C(C)C)CCC[NH2+]1 215391391 573597203 /nfs/dbraw/zinc/59/72/03/573597203.db2.gz PLXJJMVKPSOTLW-JTQLQIEISA-N 2 0 170.300 1.517 10 0 ADAERP C[NH2+]C[C@H](C)[N@@H+]1CCC[C@H]2CCC[C@@H]21 83702444 573597209 /nfs/dbraw/zinc/59/72/09/573597209.db2.gz PJMABVMIVDLBHC-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP CCC(CC)C[NH2+]C[C@H](C)[NH3+] 130470243 573597216 /nfs/dbraw/zinc/59/72/16/573597216.db2.gz BLQNEDQUDJUSBL-QMMMGPOBSA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@]1(CN(C)CC2CC2)CCC[NH2+]1 215379936 573597255 /nfs/dbraw/zinc/59/72/55/573597255.db2.gz SYMAPBWCFDDCRK-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@H](C[C@H](C)[NH3+])c1ccccc1C 259524371 573597262 /nfs/dbraw/zinc/59/72/62/573597262.db2.gz SISKTYDFMNWOAO-CMPLNLGQSA-N 2 0 192.306 1.993 10 0 ADAERP C[C@]([NH3+])(C[NH2+]CCCCF)C1CC1 393539407 573597285 /nfs/dbraw/zinc/59/72/85/573597285.db2.gz RVCGYGXOIFIMKO-JTQLQIEISA-N 2 0 188.290 1.453 10 0 ADAERP CC[C@H](C)[NH2+]C[C@]1(CC)CCC[NH2+]1 215393727 573599792 /nfs/dbraw/zinc/59/97/92/573599792.db2.gz ADVDHIWGKFAEIA-QWRGUYRKSA-N 2 0 184.327 1.907 10 0 ADAERP C[NH2+][C@H](c1ccccc1)[C@H](C)C[NH3+] 259524446 573599796 /nfs/dbraw/zinc/59/97/96/573599796.db2.gz SJDRJFWRMBRPNB-KOLCDFICSA-N 2 0 178.279 1.542 10 0 ADAERP CC[C@@H]1C[N@@H+]([C@@H]2CC23CC3)CCC[NH2+]1 715319001 573611041 /nfs/dbraw/zinc/61/10/41/573611041.db2.gz JDMHCBQGEJRELT-GHMZBOCLSA-N 2 0 194.322 1.613 10 0 ADAERP C[C@H](CC[NH+](C)C)Nc1[nH+]ccn1C 50606504 573611077 /nfs/dbraw/zinc/61/10/77/573611077.db2.gz MIVMFSWAQJFRBA-SECBINFHSA-N 2 0 196.298 1.172 10 0 ADAERP C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C2(CCC2)C1 107428494 573599162 /nfs/dbraw/zinc/59/91/62/573599162.db2.gz QRUXUQZMEYIYAM-QWRGUYRKSA-N 2 0 194.322 1.470 10 0 ADAERP Cn1ccnc1CC[C@H]1CCC[NH2+]C1 86753177 573599164 /nfs/dbraw/zinc/59/91/64/573599164.db2.gz PUJJQPNNYULXKV-SNVBAGLBSA-N 2 0 193.294 1.352 10 0 ADAERP 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573599435 /nfs/dbraw/zinc/59/94/35/573599435.db2.gz KSIBNKFGTVVVTO-SNVBAGLBSA-N 2 0 188.290 1.404 10 0 ADAERP CC(C)[C@H]([NH+](C)C)C(C)(C)CC[NH3+] 259522639 573599444 /nfs/dbraw/zinc/59/94/44/573599444.db2.gz MUIIMBBJLVEPSZ-JTQLQIEISA-N 2 0 186.343 1.948 10 0 ADAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[NH3+] 259524454 573599450 /nfs/dbraw/zinc/59/94/50/573599450.db2.gz SJDRJFWRMBRPNB-ONGXEEELSA-N 2 0 178.279 1.542 10 0 ADAERP C[NH2+][C@@H](C[C@H]1CCC[NH2+]1)c1ccc[nH]1 259523474 573599569 /nfs/dbraw/zinc/59/95/69/573599569.db2.gz UGTPPIZQLUEOQM-KOLCDFICSA-N 2 0 193.294 1.417 10 0 ADAERP C[NH2+]CCC[C@H]([NH3+])c1cccc(F)c1 259138769 573599605 /nfs/dbraw/zinc/59/96/05/573599605.db2.gz CSOVWDUGHWMUEB-NSHDSACASA-N 2 0 196.269 1.825 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@@H]([C@H](F)C[NH3+])C1 257835926 573599710 /nfs/dbraw/zinc/59/97/10/573599710.db2.gz KQRKFNMVFVAZAO-RKDXNWHRSA-N 2 0 188.290 1.404 10 0 ADAERP C[NH2+][C@H](c1cc[nH]c1)[C@@H](C)CC[NH3+] 259138402 573599729 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UNMSJFQJNYRXMD-KOLCDFICSA-N 2 0 193.294 1.327 10 0 ADAERP C[NH2+][C@H](c1ccccn1)[C@@H](C)CC[NH3+] 259528127 573613213 /nfs/dbraw/zinc/61/32/13/573613213.db2.gz UNMSJFQJNYRXMD-ONGXEEELSA-N 2 0 193.294 1.327 10 0 ADAERP [NH3+]C/C=C/C[NH2+]C1[C@H]2CCCC[C@@H]12 308406132 573613239 /nfs/dbraw/zinc/61/32/39/573613239.db2.gz LZLMYMVCXCTQRZ-SSJKROIJSA-N 2 0 180.295 1.280 10 0 ADAERP Cc1ccsc1[C@@H]([NH3+])C1(C[NH3+])CC1 259530738 573613716 /nfs/dbraw/zinc/61/37/16/573613716.db2.gz STOVNNADVTUELC-SECBINFHSA-N 2 0 196.319 1.795 10 0 ADAERP [NH3+]C/C=C\C[NH2+]C1[C@H]2CCCC[C@@H]12 308406129 573613444 /nfs/dbraw/zinc/61/34/44/573613444.db2.gz LZLMYMVCXCTQRZ-ACNMEMRISA-N 2 0 180.295 1.280 10 0 ADAERP C[N@@H+]1CCC[C@H](CC(C)(C)[NH3+])C1 75560588 573613456 /nfs/dbraw/zinc/61/34/56/573613456.db2.gz FIMBYMOELZRBNS-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CCCC[N@H+](C)C[C@H]1C[NH2+]CC12CC2 716004207 573613926 /nfs/dbraw/zinc/61/39/26/573613926.db2.gz XCICLTFLFHWRAS-LLVKDONJSA-N 2 0 196.338 1.718 10 0 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CCc1ccc([C@@H]([NH3+])C[C@@H](C)[NH3+])cc1 259144258 573631837 /nfs/dbraw/zinc/63/18/37/573631837.db2.gz CWNVKWUUAPYTSI-SKDRFNHKSA-N 2 0 192.306 1.986 10 0 ADAERP CC[N@H+](C)C[C@@](C)([NH3+])CC 86808974 573631892 /nfs/dbraw/zinc/63/18/92/573631892.db2.gz PCFPZRCTJVYXFM-QMMMGPOBSA-N 2 0 144.262 1.066 10 0 ADAERP CC[N@H+](C)C[C@](C)([NH3+])CC 86808976 573631915 /nfs/dbraw/zinc/63/19/15/573631915.db2.gz PCFPZRCTJVYXFM-MRVPVSSYSA-N 2 0 144.262 1.066 10 0 ADAERP C[C@@H]1CCC[C@@H]1[N@H+](C)C[C@H]1C[C@H]1C[NH3+] 715165421 573632004 /nfs/dbraw/zinc/63/20/04/573632004.db2.gz IVIVQPRVDSBTTG-KXNHARMFSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@@](C)([NH3+])C[NH2+]C1CCC1 86810164 573634504 /nfs/dbraw/zinc/63/45/04/573634504.db2.gz VXWHFXHBDHFSGU-SECBINFHSA-N 2 0 156.273 1.256 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+][C@H]1C[C@@H]1C 86810174 573634560 /nfs/dbraw/zinc/63/45/60/573634560.db2.gz UHVRLFPBGXININ-CIUDSAMLSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@@](C)([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86810718 573634660 /nfs/dbraw/zinc/63/46/60/573634660.db2.gz NSVNRHBLOVIOFK-OUAUKWLOSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@@]1(C2CC[NH2+]CC2)CCC[NH2+]1 258073551 573635085 /nfs/dbraw/zinc/63/50/85/573635085.db2.gz FKNXYIYMWNWZGN-GFCCVEGCSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+]CCCn1ccc2c[nH+]ccc21 258073689 573635093 /nfs/dbraw/zinc/63/50/93/573635093.db2.gz HRZRDDRIRSFPDQ-UHFFFAOYSA-N 2 0 175.235 1.385 10 0 ADAERP Cc1cc([C@H]([NH3+])CCC[NH3+])ccc1F 259536118 573636558 /nfs/dbraw/zinc/63/65/58/573636558.db2.gz WSGCTVVTEUHXTE-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cc[nH]c1 258826428 573636567 /nfs/dbraw/zinc/63/65/67/573636567.db2.gz DCBBRYRQUJBRFS-QWRGUYRKSA-N 2 0 193.294 1.027 10 0 ADAERP C[C@H](CC[NH3+])[C@H]1CCC[N@H+](C)CC1 96864712 573636641 /nfs/dbraw/zinc/63/66/41/573636641.db2.gz WBNHPRGLMUBRJQ-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H](c1c[nH]c(C[NH3+])c1)[NH+]1CCCC1 257835066 573635867 /nfs/dbraw/zinc/63/58/67/573635867.db2.gz KNTOBNINEZVKGP-VIFPVBQESA-N 2 0 193.294 1.630 10 0 ADAERP C[NH+]1CCC(C[NH3+])(C(C)(C)C)CC1 96864699 573635936 /nfs/dbraw/zinc/63/59/36/573635936.db2.gz OAOJJNWRCVWDAF-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cc[nH]c1 258826429 573635952 /nfs/dbraw/zinc/63/59/52/573635952.db2.gz DCBBRYRQUJBRFS-WDEREUQCSA-N 2 0 193.294 1.027 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cc[nH]c1 258826425 573636094 /nfs/dbraw/zinc/63/60/94/573636094.db2.gz DCBBRYRQUJBRFS-GHMZBOCLSA-N 2 0 193.294 1.027 10 0 ADAERP C[C@@H]1C[C@@H](C[C@H]2CCC[NH2+]2)C[NH2+]1 258073752 573636142 /nfs/dbraw/zinc/63/61/42/573636142.db2.gz FNCMJKZIAIXLMO-KXUCPTDWSA-N 2 0 168.284 1.127 10 0 ADAERP C[N@@H+]1CC[C@H](CC2CCC([NH3+])CC2)C1 259148211 573636156 /nfs/dbraw/zinc/63/61/56/573636156.db2.gz NTKSKGUSSKFFBY-MOENNCHZSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H](CC[NH3+])C1CC[NH+](C)CC1 96864714 573636249 /nfs/dbraw/zinc/63/62/49/573636249.db2.gz ACGZKJAGEIBVEA-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@@H](C)[NH+](C)C 259536105 573636403 /nfs/dbraw/zinc/63/64/03/573636403.db2.gz NMEHJSQSOLDPBF-ZJUUUORDSA-N 2 0 172.316 1.428 10 0 ADAERP C[NH2+][C@@H](C1CCCCC1)C1([NH3+])CC1 259146712 573636516 /nfs/dbraw/zinc/63/65/16/573636516.db2.gz HWVRKVOEBSXFBD-JTQLQIEISA-N 2 0 182.311 1.646 10 0 ADAERP C[C@@H](CCC(F)(F)F)[NH2+]CCC[NH3+] 308652607 573637911 /nfs/dbraw/zinc/63/79/11/573637911.db2.gz LRTSVNQSKJJPFK-ZETCQYMHSA-N 2 0 198.232 1.656 10 0 ADAERP C[NH2+]CC[C@H](CC(C)C)[NH2+]C 259145929 573637276 /nfs/dbraw/zinc/63/72/76/573637276.db2.gz BIGBKXWVMGMTES-SECBINFHSA-N 2 0 158.289 1.230 10 0 ADAERP C[C@H](CCC(F)(F)F)[NH2+]CCC[NH3+] 308652605 573637342 /nfs/dbraw/zinc/63/73/42/573637342.db2.gz LRTSVNQSKJJPFK-SSDOTTSWSA-N 2 0 198.232 1.656 10 0 ADAERP CC(C)(C[NH3+])C[C@H]([NH3+])C(C)(C)C 259536113 573637408 /nfs/dbraw/zinc/63/74/08/573637408.db2.gz WSFSWKAMFSPTJM-QMMMGPOBSA-N 2 0 172.316 1.735 10 0 ADAERP C[NH2+][C@H](C1CCCC1)C(C)(C)C[NH3+] 259536213 573637510 /nfs/dbraw/zinc/63/75/10/573637510.db2.gz UWUZAPGRYNDVOJ-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP C[N@@H+]1CC[C@@H](CC2CCC([NH3+])CC2)C1 259148206 573637666 /nfs/dbraw/zinc/63/76/66/573637666.db2.gz NTKSKGUSSKFFBY-CXQJBGSLSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+][C@@H](C[C@H](C)C[NH3+])c1cccnc1 259148190 573637761 /nfs/dbraw/zinc/63/77/61/573637761.db2.gz CIMITLXPUKDQDE-ONGXEEELSA-N 2 0 193.294 1.327 10 0 ADAERP C[N@@H+]1CC[C@@H](C2CCCCC2)[C@@H]1CN 257845728 573637811 /nfs/dbraw/zinc/63/78/11/573637811.db2.gz NMOOOQPGUKECRZ-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP C1CCC(CC[NH2+]CC2C[NH2+]C2)CC1 258828264 573637836 /nfs/dbraw/zinc/63/78/36/573637836.db2.gz FYQIVBDPWMDOBE-UHFFFAOYSA-N 2 0 196.338 1.766 10 0 ADAERP C[NH2+][C@@H](CC(C)C)C(C)(C)[NH2+]C 259148417 573640260 /nfs/dbraw/zinc/64/02/60/573640260.db2.gz CJWMIOHYJSZZFZ-VIFPVBQESA-N 2 0 172.316 1.619 10 0 ADAERP CC1(C)[C@H](CC[NH3+])CC[N@@H+]1C1CC1 259536786 573640265 /nfs/dbraw/zinc/64/02/65/573640265.db2.gz WJEUUIWDGKLGST-SECBINFHSA-N 2 0 182.311 1.598 10 0 ADAERP CCCC[N@@H+]1CC[C@H]([NH2+]C)C1(C)C 259536418 573640363 /nfs/dbraw/zinc/64/03/63/573640363.db2.gz WHNMCRNBVUPWQW-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP [NH3+]C[C@]1(F)CC[N@@H+](C2CCCC2)C1 259538718 573640429 /nfs/dbraw/zinc/64/04/29/573640429.db2.gz BQNGPRMYDSLRGE-SNVBAGLBSA-N 2 0 186.274 1.302 10 0 ADAERP CC(=O)CC[NH2+]CCC[NH+]1CCCC1 308652600 573640443 /nfs/dbraw/zinc/64/04/43/573640443.db2.gz LRLWLPRHUXACDA-UHFFFAOYSA-N 2 0 198.310 1.041 10 0 ADAERP [NH3+]C[C@@]1(F)CC[N@@H+](C2CCCC2)C1 259538709 573640536 /nfs/dbraw/zinc/64/05/36/573640536.db2.gz BQNGPRMYDSLRGE-JTQLQIEISA-N 2 0 186.274 1.302 10 0 ADAERP CC(C)([NH3+])CC[C@H]([NH3+])c1cc[nH]c1 259536387 573640727 /nfs/dbraw/zinc/64/07/27/573640727.db2.gz WSYNOQAKKVFREN-VIFPVBQESA-N 2 0 181.283 1.532 10 0 ADAERP [NH3+]C1CC(Nc2ccncc2Cl)C1 86839699 573643032 /nfs/dbraw/zinc/64/30/32/573643032.db2.gz RAELSPIXKVAYBZ-UHFFFAOYSA-N 2 0 197.669 1.637 10 0 ADAERP CC[NH+]1CCC([C@@H](F)CC[NH3+])CC1 257839329 573643042 /nfs/dbraw/zinc/64/30/42/573643042.db2.gz LPFWOLNYMDICAZ-JTQLQIEISA-N 2 0 188.290 1.405 10 0 ADAERP [NH3+][C@H]1C[C@@H]1Nc1ccncc1Cl 86839679 573643160 /nfs/dbraw/zinc/64/31/60/573643160.db2.gz XHFCHYUTWVMKGM-XPUUQOCRSA-N 2 0 183.642 1.247 10 0 ADAERP CC(C)([NH3+])CC[C@@H]([NH3+])c1ccccn1 259541626 573643165 /nfs/dbraw/zinc/64/31/65/573643165.db2.gz XAHCDDGBIRKVOI-SECBINFHSA-N 2 0 193.294 1.599 10 0 ADAERP [NH3+]Cc1ccc([C@]2(F)CC[NH2+]C2)cc1 257838740 573643195 /nfs/dbraw/zinc/64/31/95/573643195.db2.gz LMTJGAOHGVZDGS-NSHDSACASA-N 2 0 194.253 1.303 10 0 ADAERP C[NH2+][C@@H](C[C@@H]1CCC[NH2+]C1)C1CCC1 259150149 573643208 /nfs/dbraw/zinc/64/32/08/573643208.db2.gz CLMJDFDRGIRXMS-JQWIXIFHSA-N 2 0 196.338 1.764 10 0 ADAERP CC[N@@H+]1CCC[C@@H](C(F)(F)CN)C1 257839117 573643211 /nfs/dbraw/zinc/64/32/11/573643211.db2.gz LNDYGJQNVUPSRN-MRVPVSSYSA-N 2 0 192.253 1.312 10 0 ADAERP C[C@@H]1Cc2cc(C[NH3+])ccc2C[NH2+]1 107759935 573643245 /nfs/dbraw/zinc/64/32/45/573643245.db2.gz CJSDTSIVBXZMKU-MRVPVSSYSA-N 2 0 176.263 1.180 10 0 ADAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1)C1C[NH2+]C1 686247673 573643375 /nfs/dbraw/zinc/64/33/75/573643375.db2.gz ADZDSNHLCYYSFR-CHWFTXMASA-N 2 0 194.322 1.230 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2CCC[N@H+](C)C2)[NH2+]1 259149902 573643437 /nfs/dbraw/zinc/64/34/37/573643437.db2.gz KHDMGYNTDLNCEL-KXUCPTDWSA-N 2 0 168.284 1.079 10 0 ADAERP [NH3+][C@H]1C[C@H]1Nc1ccncc1Cl 86839676 573643449 /nfs/dbraw/zinc/64/34/49/573643449.db2.gz XHFCHYUTWVMKGM-POYBYMJQSA-N 2 0 183.642 1.247 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259539494 573647120 /nfs/dbraw/zinc/64/71/20/573647120.db2.gz VCWVKCKZWIMCCN-VHSXEESVSA-N 2 0 184.327 1.763 10 0 ADAERP Cc1cc(C[NH2+][C@H](C)CCC[NH3+])no1 308654251 573647171 /nfs/dbraw/zinc/64/71/71/573647171.db2.gz MLOWKVWWMIHPLS-MRVPVSSYSA-N 2 0 197.282 1.200 10 0 ADAERP C[C@@H]1CCC[C@H]1C[NH2+]CC(C)(C)C[NH3+] 308654712 573647234 /nfs/dbraw/zinc/64/72/34/573647234.db2.gz MSXQNMNVOLNPRS-MNOVXSKESA-N 2 0 198.354 1.997 10 0 ADAERP C[N@@H+]1C[C@H](C[NH3+])[C@H](CC(C)(F)F)C1 259541118 573647290 /nfs/dbraw/zinc/64/72/90/573647290.db2.gz BTUDHQGRHWHNTC-SFYZADRCSA-N 2 0 192.253 1.168 10 0 ADAERP C[C@H]1CCC[C@H]1C[NH2+]CC(C)(C)C[NH3+] 308654713 573647343 /nfs/dbraw/zinc/64/73/43/573647343.db2.gz MSXQNMNVOLNPRS-QWRGUYRKSA-N 2 0 198.354 1.997 10 0 ADAERP COC(C)(C)C[NH2+][C@@H](C)CCC[NH3+] 393546075 573647445 /nfs/dbraw/zinc/64/74/45/573647445.db2.gz GIDZBWSLUMECFN-VIFPVBQESA-N 2 0 188.315 1.128 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H]([NH3+])c1ccncc1 259539070 573647489 /nfs/dbraw/zinc/64/74/89/573647489.db2.gz TZJDJTXWKTZSJD-WCBMZHEXSA-N 2 0 179.267 1.066 10 0 ADAERP CC[C@H](C[NH3+])[C@H]([NH3+])c1ccncc1 259539068 573647502 /nfs/dbraw/zinc/64/75/02/573647502.db2.gz TZJDJTXWKTZSJD-SCZZXKLOSA-N 2 0 179.267 1.066 10 0 ADAERP CN(CCc1ccc[nH]1)CC(C)(C)[NH3+] 258834769 573647596 /nfs/dbraw/zinc/64/75/96/573647596.db2.gz MMYHRLSSKCPQLJ-UHFFFAOYSA-N 2 0 195.310 1.226 10 0 ADAERP CC(C)C[N@H+](C)C(C)(C)CC[NH3+] 258828602 573647792 /nfs/dbraw/zinc/64/77/92/573647792.db2.gz MCGQRCGFWWMJKR-UHFFFAOYSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@H]1Cc2cc(C[NH3+])ccc2C[NH2+]1 107759939 573647876 /nfs/dbraw/zinc/64/78/76/573647876.db2.gz CJSDTSIVBXZMKU-QMMMGPOBSA-N 2 0 176.263 1.180 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCC[N@H+](C)C2)[NH2+]1 259149904 573647903 /nfs/dbraw/zinc/64/79/03/573647903.db2.gz KHDMGYNTDLNCEL-OPRDCNLKSA-N 2 0 168.284 1.079 10 0 ADAERP CCC(C)(C)CC[NH2+]CCC[NH3+] 393546154 573647908 /nfs/dbraw/zinc/64/79/08/573647908.db2.gz GSHZHYQEESCSKJ-UHFFFAOYSA-N 2 0 172.316 1.751 10 0 ADAERP C[NH2+][C@@H](c1cccc(C)c1)C1C[NH2+]C1 259541229 573647918 /nfs/dbraw/zinc/64/79/18/573647918.db2.gz VHFWTCYOIDJMCH-LBPRGKRZSA-N 2 0 190.290 1.475 10 0 ADAERP C[C@@H]1C[C@@H]1[C@H]([NH3+])Cc1c[nH+]ccc1N 83808354 573647928 /nfs/dbraw/zinc/64/79/28/573647928.db2.gz QLOVERMZWISSIL-POZPLHJXSA-N 2 0 191.278 1.190 10 0 ADAERP C[NH2+]CC1(C[NH2+]C2CCC2)CC1 258828988 573648641 /nfs/dbraw/zinc/64/86/41/573648641.db2.gz CYIPZVNILFRBCQ-UHFFFAOYSA-N 2 0 168.284 1.128 10 0 ADAERP C[C@H](c1cc(C[NH3+])ccc1F)[NH+](C)C 257839835 573648766 /nfs/dbraw/zinc/64/87/66/573648766.db2.gz LTUOGXFGCPTPHI-MRVPVSSYSA-N 2 0 196.269 1.907 10 0 ADAERP [NH3+]C1CC(C[NH2+]Cc2ccccc2)C1 258832318 573648841 /nfs/dbraw/zinc/64/88/41/573648841.db2.gz WCIBPWCNHMQDNQ-UHFFFAOYSA-N 2 0 190.290 1.514 10 0 ADAERP C1C[NH2+]C[C@H]([C@@H]2C[C@@]23CCC[NH2+]C3)C1 257840734 573649006 /nfs/dbraw/zinc/64/90/06/573649006.db2.gz BQPMJRTURBXQIR-GRYCIOLGSA-N 2 0 194.322 1.376 10 0 ADAERP C[C@@H](CCC[NH3+])[NH2+]CC1(C2CC2)CC1 308658044 573649120 /nfs/dbraw/zinc/64/91/20/573649120.db2.gz OHVBGGZUHMAUNS-JTQLQIEISA-N 2 0 196.338 1.894 10 0 ADAERP CCc1c[nH]c(CC(C)(C)[NH3+])n1 259152447 573649130 /nfs/dbraw/zinc/64/91/30/573649130.db2.gz SUZCQDJFXODWNI-UHFFFAOYSA-N 2 0 167.256 1.252 10 0 ADAERP CCN(C)[C@H](c1ccco1)[C@@H](C)[NH3+] 43334693 573649150 /nfs/dbraw/zinc/64/91/50/573649150.db2.gz BZADBMIMWNSBCF-SCZZXKLOSA-N 2 0 182.267 1.620 10 0 ADAERP Cc1cc(N)[nH+]cc1[C@@H]1CC[C@H]([NH3+])C1 238457821 573649176 /nfs/dbraw/zinc/64/91/76/573649176.db2.gz SADAKBKWJQRLQK-BDAKNGLRSA-N 2 0 191.278 1.567 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]Cc1ccncc1 258832281 573649231 /nfs/dbraw/zinc/64/92/31/573649231.db2.gz WBKGODIYIIUANM-JTQLQIEISA-N 2 0 193.294 1.299 10 0 ADAERP C[C@@H]1C[NH2+][C@@H](CC2CC[NH+](C)CC2)O1 258833708 573649241 /nfs/dbraw/zinc/64/92/41/573649241.db2.gz ZGESFMGMQAWENI-MWLCHTKSSA-N 2 0 198.310 1.053 10 0 ADAERP C[C@@H]1C[C@@H]([C@H]2CCC[N@H+](C)C2)[NH2+]1 259149907 573649256 /nfs/dbraw/zinc/64/92/56/573649256.db2.gz KHDMGYNTDLNCEL-UTLUCORTSA-N 2 0 168.284 1.079 10 0 ADAERP Cc1ccc([C@@H]([NH3+])[C@H](C)CC[NH3+])o1 259539744 573649257 /nfs/dbraw/zinc/64/92/57/573649257.db2.gz WYYNUGIVFMBBOP-XCBNKYQSSA-N 2 0 182.267 1.573 10 0 ADAERP C[C@@H]1C[NH2+][C@H](CC2CC[NH+](C)CC2)O1 258833694 573649291 /nfs/dbraw/zinc/64/92/91/573649291.db2.gz ZGESFMGMQAWENI-KOLCDFICSA-N 2 0 198.310 1.053 10 0 ADAERP C[NH2+][C@@H]1[C@H](C[NH+](C)C)CCCC1(C)C 86850888 573649303 /nfs/dbraw/zinc/64/93/03/573649303.db2.gz VTPCMOLDZZBYQA-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]Cc1cc[nH]c1 258835989 573651553 /nfs/dbraw/zinc/65/15/53/573651553.db2.gz GOGLXYXKYYKAQM-SECBINFHSA-N 2 0 181.283 1.232 10 0 ADAERP C[NH2+][C@@H]1[C@@H](C[NH+](C)C)CCCC1(C)C 86850886 573651563 /nfs/dbraw/zinc/65/15/63/573651563.db2.gz VTPCMOLDZZBYQA-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]CCc1cc[nH]c1 258835827 573651952 /nfs/dbraw/zinc/65/19/52/573651952.db2.gz GJSKAMNWHVJTJW-SNVBAGLBSA-N 2 0 195.310 1.132 10 0 ADAERP C[C@H]([NH+](C)C)C1(C[NH3+])CCC1 259543512 573652104 /nfs/dbraw/zinc/65/21/04/573652104.db2.gz NXUCMHNEGHJXEC-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP CC[N@@H+]1CC[C@H](CC[NH3+])CC1(C)C 259543759 573653550 /nfs/dbraw/zinc/65/35/50/573653550.db2.gz WWWLKYYUSJLGGO-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1CCC[N@H+](CCC2([NH3+])CCC2)C1 86853802 573652907 /nfs/dbraw/zinc/65/29/07/573652907.db2.gz DJECRDUVZJLGTR-NSHDSACASA-N 2 0 196.338 1.990 10 0 ADAERP CC[N@H+](C)CCC1([NH3+])CCC1 86853831 573652965 /nfs/dbraw/zinc/65/29/65/573652965.db2.gz FOXJVWRDESEXIN-UHFFFAOYSA-N 2 0 156.273 1.210 10 0 ADAERP C[NH2+][C@@H]1[C@@H]([NH+]2CCCC2)CCC1(C)C 86855880 573653056 /nfs/dbraw/zinc/65/30/56/573653056.db2.gz YTYXFLUFFHTGOG-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP CC1(C)CC[C@@H]([NH+]2CCCC2)[C@@H]1[NH3+] 86855865 573653117 /nfs/dbraw/zinc/65/31/17/573653117.db2.gz HSRPLFQVGMQRIT-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP Cc1c[nH+]c2n1C[C@@H]([NH3+])C[C@@H]2C 107816127 573653133 /nfs/dbraw/zinc/65/31/33/573653133.db2.gz YSNAPGZRIRDOBP-XPUUQOCRSA-N 2 0 165.240 1.026 10 0 ADAERP Cc1cc(N)ncc1[C@H]1CCC[C@@H]1[NH3+] 238458288 573653141 /nfs/dbraw/zinc/65/31/41/573653141.db2.gz CYDVOVYBWUWPSW-SCZZXKLOSA-N 2 0 191.278 1.567 10 0 ADAERP 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182.311 1.494 10 0 ADAERP CC(C)[N@H+]1CC=C([C@H](C)[NH3+])CC1 258082002 573657683 /nfs/dbraw/zinc/65/76/83/573657683.db2.gz MYELOJUUAGBDEW-VIFPVBQESA-N 2 0 168.284 1.374 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)CCc1cc[nH]c1 258846172 573657707 /nfs/dbraw/zinc/65/77/07/573657707.db2.gz WUGPFVHPWOKQNE-SNVBAGLBSA-N 2 0 195.310 1.226 10 0 ADAERP Cc1[nH+]c2n(c1C)[C@@H](C)[C@@H]([NH3+])CC2 107824966 573657722 /nfs/dbraw/zinc/65/77/22/573657722.db2.gz UFSQZCIWSMVQKQ-IUCAKERBSA-N 2 0 179.267 1.334 10 0 ADAERP CC[NH+]1CCC(C/C=C\C[NH2+]C)CC1 258080793 573657863 /nfs/dbraw/zinc/65/78/63/573657863.db2.gz FTHWCVZBFMIICG-PLNGDYQASA-N 2 0 196.338 1.884 10 0 ADAERP C[NH2+]CC/C=C\C[C@H]1CCC[N@H+](C)C1 258080961 573658860 /nfs/dbraw/zinc/65/88/60/573658860.db2.gz FWFYLWSAYKREAZ-MVZIDQBPSA-N 2 0 196.338 1.884 10 0 ADAERP C[N@H+](CC1(C[NH3+])CCC1)C(C)(C)C 258851148 573658865 /nfs/dbraw/zinc/65/88/65/573658865.db2.gz FZJLBHARGXSLDJ-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)(C)C(C)(C)C[NH2+]CC1C[NH2+]C1 258850174 573658125 /nfs/dbraw/zinc/65/81/25/573658125.db2.gz HRMAOHYATXWBRJ-UHFFFAOYSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]Cc1ccc[nH]1 258852033 573658172 /nfs/dbraw/zinc/65/81/72/573658172.db2.gz HXAVBJXHPLXKSY-VIFPVBQESA-N 2 0 181.283 1.232 10 0 ADAERP C[NH2+]CC[C@H](F)[C@H]1CCC[N@H+](C)C1 257842803 573658180 /nfs/dbraw/zinc/65/81/80/573658180.db2.gz MSNHJOWEFRZLCW-UWVGGRQHSA-N 2 0 188.290 1.276 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]Cc1ccc[nH]1 258852030 573658252 /nfs/dbraw/zinc/65/82/52/573658252.db2.gz HXAVBJXHPLXKSY-SECBINFHSA-N 2 0 181.283 1.232 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)CCc1cc[nH]c1 258846167 573658258 /nfs/dbraw/zinc/65/82/58/573658258.db2.gz WUGPFVHPWOKQNE-JTQLQIEISA-N 2 0 195.310 1.226 10 0 ADAERP CC1(C)CCC[C@@H]1[NH+]1CCC([NH3+])CC1 86866643 573658349 /nfs/dbraw/zinc/65/83/49/573658349.db2.gz QDTZKXWWPMDPQD-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H](CC[NH3+])C[N@H+](C)Cc1cc[nH]c1 258850286 573658385 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YYIMKXQDALUSKA-VIFPVBQESA-N 2 0 196.269 1.305 10 0 ADAERP C[NH2+][C@H](C)C[C@H]1CCCC[NH2+]1 83823581 573668407 /nfs/dbraw/zinc/66/84/07/573668407.db2.gz FTCNBVIZGWKZFF-RKDXNWHRSA-N 2 0 156.273 1.127 10 0 ADAERP C[C@H]([NH2+][C@H](C)CC(F)F)C1C[NH2+]C1 686248447 573668485 /nfs/dbraw/zinc/66/84/85/573668485.db2.gz OEIFMORRIMQARC-RQJHMYQMSA-N 2 0 192.253 1.228 10 0 ADAERP C[NH+](C)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871186 573668522 /nfs/dbraw/zinc/66/85/22/573668522.db2.gz MVNCKRQLBXDEQQ-RKDXNWHRSA-N 2 0 170.300 1.312 10 0 ADAERP C[NH2+]C(C)(C)CN(C)c1cc[nH+]cc1 258870688 573675564 /nfs/dbraw/zinc/67/55/64/573675564.db2.gz KYZVPJIJRBSONZ-UHFFFAOYSA-N 2 0 193.294 1.516 10 0 ADAERP CC(C)[C@@H]([NH3+])CC1CC[NH+](C)CC1 107955774 573675577 /nfs/dbraw/zinc/67/55/77/573675577.db2.gz LYLBPNDATNWDRV-NSHDSACASA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)Cc1ccc[nH]1 258869433 573675735 /nfs/dbraw/zinc/67/57/35/573675735.db2.gz BEKPIVXOZLQTLD-SNVBAGLBSA-N 2 0 195.310 1.431 10 0 ADAERP 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XJUBKRBRDUMJEH-QMMMGPOBSA-N 2 0 184.308 1.748 10 0 ADAERP CC[NH+](CC)[C@@H](C)c1ccc(C[NH3+])[nH]1 257847265 573681371 /nfs/dbraw/zinc/68/13/71/573681371.db2.gz NYUFCIPCUNLPKC-VIFPVBQESA-N 2 0 195.310 1.876 10 0 ADAERP C1CC(C[NH2+][C@H]2CCN3CCC[C@H]23)C1 83838547 573681470 /nfs/dbraw/zinc/68/14/70/573681470.db2.gz VNCZKISZCFBZAL-NWDGAFQWSA-N 2 0 194.322 1.613 10 0 ADAERP CCN(C)CC[NH2+]CC1CCC1 83838696 573681511 /nfs/dbraw/zinc/68/15/11/573681511.db2.gz VVLMTIWWZCWJQQ-UHFFFAOYSA-N 2 0 170.300 1.328 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+]CCC(C)(C)C 258874964 573681516 /nfs/dbraw/zinc/68/15/16/573681516.db2.gz JUNFEQAPIZIQRK-SNVBAGLBSA-N 2 0 186.343 1.997 10 0 ADAERP [NH3+]C[C@H](C[NH2+]CC1CC1)CC1CC1 404828578 573681581 /nfs/dbraw/zinc/68/15/81/573681581.db2.gz GZPJPTUCXNQGHN-LLVKDONJSA-N 2 0 182.311 1.361 10 0 ADAERP CNCC[NH2+]CC(C)(C)C(C)(C)C 258865813 573681585 /nfs/dbraw/zinc/68/15/85/573681585.db2.gz ZAYLQKUHNQFVQE-UHFFFAOYSA-N 2 0 186.343 1.868 10 0 ADAERP 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186.343 1.962 10 0 ADAERP CCC[NH2+][C@@H](C)CN(C)CC1CC1 43906519 573872705 /nfs/dbraw/zinc/87/27/05/573872705.db2.gz UMIQXMCQPCOMQV-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H](c1ccoc1)[N@@H+]1CC[C@H](C[NH3+])C1 87290696 573872707 /nfs/dbraw/zinc/87/27/07/573872707.db2.gz HZCSKLRWZFHZRW-VHSXEESVSA-N 2 0 194.278 1.621 10 0 ADAERP C[C@@H](c1ccoc1)N1CCC([NH3+])CC1 87290676 573872727 /nfs/dbraw/zinc/87/27/27/573872727.db2.gz POAYYBBAZPCGSJ-VIFPVBQESA-N 2 0 194.278 1.764 10 0 ADAERP Cc1cccc([C@@]2([NH3+])CCN(C)C2)c1 84350508 573872734 /nfs/dbraw/zinc/87/27/34/573872734.db2.gz CCQPRXLBOJGXBH-GFCCVEGCSA-N 2 0 190.290 1.485 10 0 ADAERP CN1CC[C@]([NH3+])(Cc2ccccc2)C1 84350492 573872770 /nfs/dbraw/zinc/87/27/70/573872770.db2.gz JMKIYQCXAWCWIP-LBPRGKRZSA-N 2 0 190.290 1.262 10 0 ADAERP CC[NH2+][C@H](C)CN(C)CC1CC1 43905947 573872999 /nfs/dbraw/zinc/87/29/99/573872999.db2.gz LOAOMMSMACXKIW-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H](C)CN(C)CC1CC1 43905944 573873017 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573881053 /nfs/dbraw/zinc/88/10/53/573881053.db2.gz KEDIFLNBNGIFED-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP Cc1cccc(C[NH2+]CC2C[NH2+]C2)c1 258986776 573883890 /nfs/dbraw/zinc/88/38/90/573883890.db2.gz VMZGOVZRORXRBW-UHFFFAOYSA-N 2 0 190.290 1.304 10 0 ADAERP C[C@@H](CC[NH3+])c1[nH+]cc2ccccn12 259579082 573883269 /nfs/dbraw/zinc/88/32/69/573883269.db2.gz UFLZKLFZJFMXRX-VIFPVBQESA-N 2 0 189.262 1.787 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)C[NH+]1CC2(CC2)C1 716332319 573883356 /nfs/dbraw/zinc/88/33/56/573883356.db2.gz VHEBGWOMWYDZQF-UWVGGRQHSA-N 2 0 182.311 1.456 10 0 ADAERP C/C=C\C[N@H+](C)CC1CC[NH2+]CC1 211754391 573883572 /nfs/dbraw/zinc/88/35/72/573883572.db2.gz SPKPRNWFLGDGQK-ARJAWSKDSA-N 2 0 182.311 1.494 10 0 ADAERP CC[C@](C)([NH3+])C[N@H+](C)C1CCC1 127503399 573883626 /nfs/dbraw/zinc/88/36/26/573883626.db2.gz DWUQPQUIRLTLKH-JTQLQIEISA-N 2 0 170.300 1.598 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[NH2+]C)CC1(C)C 259219850 573883674 /nfs/dbraw/zinc/88/36/74/573883674.db2.gz CYEJXJALAVWDLR-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CCC(=[NH2+])N1CCC[C@H]([NH+](C)C)C1 84421119 573883720 /nfs/dbraw/zinc/88/37/20/573883720.db2.gz UNEOWERFFHFUDM-VIFPVBQESA-N 2 0 183.299 1.400 10 0 ADAERP CC(=[NH2+])N1CCC[C@@H]([NH+](C)C)C1 84421132 573883825 /nfs/dbraw/zinc/88/38/25/573883825.db2.gz YZWHYYDBUWMSMS-SECBINFHSA-N 2 0 169.272 1.010 10 0 ADAERP CC(C)(C)[C@H]([NH3+])C[C@@H]1CCC[NH2+]C1 259579329 573883836 /nfs/dbraw/zinc/88/38/36/573883836.db2.gz ZDBKUZGBZVXADG-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@](C)([NH3+])C[N@H+](C)C1CCC1 127503630 573885219 /nfs/dbraw/zinc/88/52/19/573885219.db2.gz DWUQPQUIRLTLKH-SNVBAGLBSA-N 2 0 170.300 1.598 10 0 ADAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1cccs1 238560513 573885229 /nfs/dbraw/zinc/88/52/29/573885229.db2.gz DHUYPRDDZQVKBI-WCBMZHEXSA-N 2 0 196.319 1.748 10 0 ADAERP CCC(=[NH2+])N1CCC[C@@H]([NH+](C)C)C1 84421123 573885308 /nfs/dbraw/zinc/88/53/08/573885308.db2.gz UNEOWERFFHFUDM-SECBINFHSA-N 2 0 183.299 1.400 10 0 ADAERP 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C[C@@H]([N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1)C1(C)CC1 87365045 573893506 /nfs/dbraw/zinc/89/35/06/573893506.db2.gz JHLNAQPHRXEOKS-MXWKQRLJSA-N 2 0 194.322 1.326 10 0 ADAERP C[NH+]1CCC2(CC1)C[C@@H](F)CC[NH2+]2 258987895 573893670 /nfs/dbraw/zinc/89/36/70/573893670.db2.gz VWXUMEVPUIFENU-VIFPVBQESA-N 2 0 186.274 1.172 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1C(C)(C)C[NH3+] 259578396 573894999 /nfs/dbraw/zinc/89/49/99/573894999.db2.gz YLENCRFGPJPGQN-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C1=C(C[NH2+]C2CCC2)C[NH2+]CC1 257902216 573895020 /nfs/dbraw/zinc/89/50/20/573895020.db2.gz HWJPLHLPMGVUHU-UHFFFAOYSA-N 2 0 166.268 1.048 10 0 ADAERP Cc1ccc([C@H]([NH3+])C(C)(C)CC[NH3+])o1 259224790 573895038 /nfs/dbraw/zinc/89/50/38/573895038.db2.gz HBFGRESVIWPNTK-JTQLQIEISA-N 2 0 196.294 1.963 10 0 ADAERP CC[C@H](C[NH3+])CC[N@H+](C)C1CCC1 127527816 573895768 /nfs/dbraw/zinc/89/57/68/573895768.db2.gz RQPNWUGDBKVKOG-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)[N@H+](C)CC(C)(C)CC[NH3+] 258989279 573895112 /nfs/dbraw/zinc/89/51/12/573895112.db2.gz VTWGKXNGYZAXSP-UHFFFAOYSA-N 2 0 172.316 1.702 10 0 ADAERP CCC([NH3+])(CC)C[N@H+](C)C1CCC1 127526415 573895160 /nfs/dbraw/zinc/89/51/60/573895160.db2.gz OXUHWDQWJLFXJL-UHFFFAOYSA-N 2 0 184.327 1.988 10 0 ADAERP C[N@@H+]1CC[C@@H]([C@]2(C[NH3+])CC2(C)C)C1 258993043 573895171 /nfs/dbraw/zinc/89/51/71/573895171.db2.gz LMSKAZDXWRAOLL-MWLCHTKSSA-N 2 0 182.311 1.313 10 0 ADAERP [NH3+]C1(C[C@H]2CCCC[NH2+]2)CCC1 257902374 573895212 /nfs/dbraw/zinc/89/52/12/573895212.db2.gz DOWUPFASHPIQLF-SECBINFHSA-N 2 0 168.284 1.400 10 0 ADAERP C[C@H]([N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1)C1(C)CC1 87365043 573895311 /nfs/dbraw/zinc/89/53/11/573895311.db2.gz JHLNAQPHRXEOKS-GARJFASQSA-N 2 0 194.322 1.326 10 0 ADAERP C[N@@H+]1CC[C@H]([C@@]2(C[NH3+])CC2(C)C)C1 258993045 573895357 /nfs/dbraw/zinc/89/53/57/573895357.db2.gz LMSKAZDXWRAOLL-ONGXEEELSA-N 2 0 182.311 1.313 10 0 ADAERP [NH3+]C1CC(CNc2cc[nH+]cc2)C1 84447935 573895598 /nfs/dbraw/zinc/89/55/98/573895598.db2.gz XINDKXISZFEZDO-UHFFFAOYSA-N 2 0 177.251 1.231 10 0 ADAERP CCn1cc[nH+]c1NCC1CC([NH3+])C1 84447784 573895651 /nfs/dbraw/zinc/89/56/51/573895651.db2.gz DHDDVMOPJOGSPP-UHFFFAOYSA-N 2 0 194.282 1.052 10 0 ADAERP CCC[C@@H]([NH3+])CC[N@H+](C)C1CCC1 127528500 573896735 /nfs/dbraw/zinc/89/67/35/573896735.db2.gz OKNKAWAWLKMVNM-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC(C)(C[NH3+])C[C@@H]([NH3+])C1CCCC1 259224736 573896744 /nfs/dbraw/zinc/89/67/44/573896744.db2.gz HAZTWJMNOAYKGE-SNVBAGLBSA-N 2 0 184.327 1.879 10 0 ADAERP C[C@H]([NH+]1CCC(C[NH3+])CC1)C1(C)CC1 87364829 573895839 /nfs/dbraw/zinc/89/58/39/573895839.db2.gz MHRBYYACBMSACN-JTQLQIEISA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]CCCC[N@H+](C)Cc1cc[nH]c1 258993622 573895942 /nfs/dbraw/zinc/89/59/42/573895942.db2.gz WDHKNDMSBAWYNA-UHFFFAOYSA-N 2 0 195.310 1.446 10 0 ADAERP C[N@H+](CC1(C[NH3+])CCCC1)C1CCC1 127527563 573895991 /nfs/dbraw/zinc/89/59/91/573895991.db2.gz YCRRFGCYZVKDMX-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP 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SVFGZBLKCIBILK-GXSJLCMTSA-N 2 0 182.311 1.456 10 0 ADAERP Cc1ccc([C@@H]([NH3+])[C@H]2CC[NH2+]C2)cc1 257906329 573938464 /nfs/dbraw/zinc/93/84/64/573938464.db2.gz ZOPMPPXFKPLBCZ-NWDGAFQWSA-N 2 0 190.290 1.604 10 0 ADAERP CCCC[N@@H+]1CCC[C@@H]1CC[NH3+] 259245700 573938467 /nfs/dbraw/zinc/93/84/67/573938467.db2.gz LZOONEVSCUKCRD-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CCCC[N@@H+]1CCC[C@H]1CC[NH3+] 259245697 573938526 /nfs/dbraw/zinc/93/85/26/573938526.db2.gz LZOONEVSCUKCRD-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP [NH3+]CC1C[NH+](CC2CCCC2)C1 84987623 573938568 /nfs/dbraw/zinc/93/85/68/573938568.db2.gz YLHAVIMRXOVMRW-UHFFFAOYSA-N 2 0 168.284 1.067 10 0 ADAERP CC(C)(CCCC[NH+]1CCC1)C(N)=[NH2+] 308468916 573938591 /nfs/dbraw/zinc/93/85/91/573938591.db2.gz AWGQKRDZOONPNY-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP C[C@@H]([NH3+])CCC(=O)[C@@H]1CCC[N@H+](C)C1 259245042 573938714 /nfs/dbraw/zinc/93/87/14/573938714.db2.gz RPQPVSCERWATOY-NXEZZACHSA-N 2 0 198.310 1.025 10 0 ADAERP 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573944599 /nfs/dbraw/zinc/94/45/99/573944599.db2.gz YRRXSJXMBHFOKI-QWRGUYRKSA-N 2 0 194.322 1.457 10 0 ADAERP C[NH+]1CCC([C@@](C)(F)CC[NH3+])CC1 257907562 573944601 /nfs/dbraw/zinc/94/46/01/573944601.db2.gz ZPUPVWSQDGGHAS-JTQLQIEISA-N 2 0 188.290 1.405 10 0 ADAERP Cc1ccc([C@H]([NH3+])C[C@H](C)C[NH3+])cc1 259587027 573944626 /nfs/dbraw/zinc/94/46/26/573944626.db2.gz ZOEFFHLVEGXYOS-CMPLNLGQSA-N 2 0 192.306 1.980 10 0 ADAERP C[C@@H]1C[N@H+](C[C@H]2C[C@H]2C[NH3+])C(C)(C)C1 715079084 573944662 /nfs/dbraw/zinc/94/46/62/573944662.db2.gz VBUJLQQSKNRUSP-GARJFASQSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1C[C@H]1C[NH3+] 715079850 573944680 /nfs/dbraw/zinc/94/46/80/573944680.db2.gz ZPSUESCBMIAZBE-GUBZILKMSA-N 2 0 170.300 1.217 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C[C@H](C)C[NH3+])cc1 259587031 573944762 /nfs/dbraw/zinc/94/47/62/573944762.db2.gz ZOEFFHLVEGXYOS-JQWIXIFHSA-N 2 0 192.306 1.980 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)CC(C)(C)C 45068628 573944818 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ILAUYMJSIYKTMH-NSHDSACASA-N 2 0 198.310 1.026 10 0 ADAERP Cc1ccc([C@H]([NH3+])C[C@@H](C)C[NH3+])cc1 259587035 573945520 /nfs/dbraw/zinc/94/55/20/573945520.db2.gz ZOEFFHLVEGXYOS-ZYHUDNBSSA-N 2 0 192.306 1.980 10 0 ADAERP Cc1cccc([C@@H]([NH3+])C2CC([NH3+])C2)c1 259587050 573945527 /nfs/dbraw/zinc/94/55/27/573945527.db2.gz ZOTGPRDRNYOHOS-HTAVTVPLSA-N 2 0 190.290 1.732 10 0 ADAERP CC[N@@H+]1CCCC[NH2+][C@@H](C)C1 259246181 573945529 /nfs/dbraw/zinc/94/55/29/573945529.db2.gz FBVFISQCYZSLFU-VIFPVBQESA-N 2 0 156.273 1.080 10 0 ADAERP [NH3+]C1CC(C[NH2+]Cc2cccs2)C1 259024802 573945561 /nfs/dbraw/zinc/94/55/61/573945561.db2.gz OHPFADDHMOGFPQ-UHFFFAOYSA-N 2 0 196.319 1.575 10 0 ADAERP C[NH+]1CCC([C@](C)(F)CC[NH3+])CC1 257907566 573945582 /nfs/dbraw/zinc/94/55/82/573945582.db2.gz ZPUPVWSQDGGHAS-SNVBAGLBSA-N 2 0 188.290 1.405 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[N@@H+]1CCC2(CCC2)C1 715079691 573945639 /nfs/dbraw/zinc/94/56/39/573945639.db2.gz YRRXSJXMBHFOKI-WDEREUQCSA-N 2 0 194.322 1.457 10 0 ADAERP CCCC[N@H+](C)C[C@@H]1C[C@@H]1C[NH3+] 715077706 573945689 /nfs/dbraw/zinc/94/56/89/573945689.db2.gz OKBLQNNNGNTSJM-ZJUUUORDSA-N 2 0 170.300 1.313 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+]CCc1ccc[nH]1 259025152 573945750 /nfs/dbraw/zinc/94/57/50/573945750.db2.gz ZEZFQGUPDQWNHO-JTQLQIEISA-N 2 0 195.310 1.132 10 0 ADAERP CC[C@@]1(CC2CC[NH2+]CC2)CCC[NH2+]1 258185227 573945765 /nfs/dbraw/zinc/94/57/65/573945765.db2.gz MGSWGXVSACIMRE-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP CC[N@@H+]1CCC[C@H]1/C=C\CC[NH2+]C 258187185 573945856 /nfs/dbraw/zinc/94/58/56/573945856.db2.gz MKCCBOMGEXVZKY-MEQVVJDKSA-N 2 0 182.311 1.636 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]CCc1ccc[nH]1 259025154 573946008 /nfs/dbraw/zinc/94/60/08/573946008.db2.gz ZEZFQGUPDQWNHO-SNVBAGLBSA-N 2 0 195.310 1.132 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1/C=C\CC[NH2+]C 258187181 573946019 /nfs/dbraw/zinc/94/60/19/573946019.db2.gz MKCCBOMGEXVZKY-IBHLPDHGSA-N 2 0 182.311 1.636 10 0 ADAERP C[N@H+](CCCC[NH3+])CC(C)(C)C 45068580 573946840 /nfs/dbraw/zinc/94/68/40/573946840.db2.gz RYJXASPSEIYNJO-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP CC(C)[C@@H]([NH3+])c1ccc(C[NH3+])cc1 259246725 573946909 /nfs/dbraw/zinc/94/69/09/573946909.db2.gz HZOFNHHZYSBJHW-LLVKDONJSA-N 2 0 178.279 1.801 10 0 ADAERP CC1(C)[C@@H](C[NH3+])CC[C@]1(C)[NH3+] 238206328 573946932 /nfs/dbraw/zinc/94/69/32/573946932.db2.gz GKKOUOQDGHZNFO-APPZFPTMSA-N 2 0 156.273 1.099 10 0 ADAERP C[NH+](C)[C@@H](C1CCC1)C1CC[NH2+]CC1 259246407 573947193 /nfs/dbraw/zinc/94/71/93/573947193.db2.gz BIIPETUJIUZXMW-LBPRGKRZSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H](CC[C@@H](C)[NH3+])[NH2+]C 259245970 573947271 /nfs/dbraw/zinc/94/72/71/573947271.db2.gz GZVSXBOQNRBFJG-HTQZYQBOSA-N 2 0 144.262 1.112 10 0 ADAERP CC1(C)[C@@H](C[NH3+])CC[C@@]1(C)C[NH3+] 238206263 573947324 /nfs/dbraw/zinc/94/73/24/573947324.db2.gz ZMPDTIGDYORCRH-SCZZXKLOSA-N 2 0 170.300 1.346 10 0 ADAERP CC[N@H+](CCC1CC1)C[C@@H]1C[C@H]1C[NH3+] 715079622 573947334 /nfs/dbraw/zinc/94/73/34/573947334.db2.gz XPNNPUFOEPNODK-RYUDHWBXSA-N 2 0 196.338 1.703 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCCC2)C1 85014919 573951743 /nfs/dbraw/zinc/95/17/43/573951743.db2.gz MMGAUMXQKXAWDI-VHSXEESVSA-N 2 0 182.311 1.646 10 0 ADAERP CCC1CC[NH+](CCCC(N)=[NH2+])CC1 42446877 573951752 /nfs/dbraw/zinc/95/17/52/573951752.db2.gz RJJNWSMSLWUQIG-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCCCC2)C1 85014393 573951799 /nfs/dbraw/zinc/95/17/99/573951799.db2.gz LOPQLPUZRIDBIN-QWRGUYRKSA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCCC2)C1 85014229 573951034 /nfs/dbraw/zinc/95/10/34/573951034.db2.gz OUJZBTHFNGMICG-UWVGGRQHSA-N 2 0 168.284 1.210 10 0 ADAERP CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014494 573951058 /nfs/dbraw/zinc/95/10/58/573951058.db2.gz IOCFKRACWASORC-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[N@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CCCC1 85014526 573951085 /nfs/dbraw/zinc/95/10/85/573951085.db2.gz FBDBBLQCQAJMMW-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP 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257915607 573951591 /nfs/dbraw/zinc/95/15/91/573951591.db2.gz QSNIJLBFEFOTDH-YIZRAAEISA-N 2 0 174.263 1.014 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH2+]C2CCC2)C1 85015686 573951624 /nfs/dbraw/zinc/95/16/24/573951624.db2.gz WXFIPZNKLIUGCP-IUCAKERBSA-N 2 0 168.284 1.256 10 0 ADAERP CC1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 85014223 573951671 /nfs/dbraw/zinc/95/16/71/573951671.db2.gz XEOLQWMHMQYGPC-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP [NH3+]Cc1c[nH]c2c(C[NH3+])cccc12 257909617 573953277 /nfs/dbraw/zinc/95/32/77/573953277.db2.gz PMSJFKBWPZLBEO-UHFFFAOYSA-N 2 0 175.235 1.085 10 0 ADAERP C[NH2+]CCC[N@@H+]1CCCSCC1 42444528 573953289 /nfs/dbraw/zinc/95/32/89/573953289.db2.gz DBLVDKFFDVMKBR-UHFFFAOYSA-N 2 0 188.340 1.035 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](C)Cc1ccoc1 42447827 573953312 /nfs/dbraw/zinc/95/33/12/573953312.db2.gz RYUWAZDBLKEIHE-NSHDSACASA-N 2 0 196.294 1.839 10 0 ADAERP CC(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 85014855 573953322 /nfs/dbraw/zinc/95/33/22/573953322.db2.gz SQOOAJVSVIKHOX-DTWKUNHWSA-N 2 0 156.273 1.112 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH2+]CC2CC2)C1 85014946 573953345 /nfs/dbraw/zinc/95/33/45/573953345.db2.gz XSYCTZHBUWTKAQ-ZJUUUORDSA-N 2 0 168.284 1.113 10 0 ADAERP CC[N@@H+](Cc1ccco1)C[C@H](C)C[NH3+] 42445394 573953387 /nfs/dbraw/zinc/95/33/87/573953387.db2.gz ZVGWQMYLHRUGER-SNVBAGLBSA-N 2 0 196.294 1.696 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014358 573953499 /nfs/dbraw/zinc/95/34/99/573953499.db2.gz JASJEHMCIQTTJH-UWVGGRQHSA-N 2 0 170.300 1.454 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CCC[NH+]1CCCC1 45118942 573953515 /nfs/dbraw/zinc/95/35/15/573953515.db2.gz BNZLCOMRJJANPE-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH+]2CCCCCC2)C1 85014303 573953591 /nfs/dbraw/zinc/95/35/91/573953591.db2.gz OZQNHXNMEAZIAV-VXGBXAGGSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@H]([NH3+])C[C@H]([NH+](C)C)C(C)(C)C 259249196 573953596 /nfs/dbraw/zinc/95/35/96/573953596.db2.gz BJHZZIMPLCKBCV-IUCAKERBSA-N 2 0 172.316 1.700 10 0 ADAERP [NH3+]CC1(C[NH2+]CC2CCC2)CCC1 259027443 573953608 /nfs/dbraw/zinc/95/36/08/573953608.db2.gz ZCJHBANGAKOHCM-UHFFFAOYSA-N 2 0 182.311 1.505 10 0 ADAERP CCC[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014829 573953618 /nfs/dbraw/zinc/95/36/18/573953618.db2.gz CRFPYJCMJIIIGK-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP CCC1CC[NH+](CC[C@H](C)[NH3+])CC1 42446620 573953637 /nfs/dbraw/zinc/95/36/37/573953637.db2.gz XJJAYTURZKCHIZ-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCCCCC2)C1 85014300 573953681 /nfs/dbraw/zinc/95/36/81/573953681.db2.gz OZQNHXNMEAZIAV-RYUDHWBXSA-N 2 0 196.338 1.990 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85015522 573953696 /nfs/dbraw/zinc/95/36/96/573953696.db2.gz HWTPYPGQIQTKCC-UTLUCORTSA-N 2 0 182.311 1.502 10 0 ADAERP CCC1CC[NH+](C[C@@H](C)C(N)=[NH2+])CC1 42446881 573953703 /nfs/dbraw/zinc/95/37/03/573953703.db2.gz WXRAOJZWJTXSFV-SECBINFHSA-N 2 0 197.326 1.680 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85015695 573953717 /nfs/dbraw/zinc/95/37/17/573953717.db2.gz YDOISLAJGPOHQV-IMSYWVGJSA-N 2 0 168.284 1.112 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 85014853 573953721 /nfs/dbraw/zinc/95/37/21/573953721.db2.gz SQOOAJVSVIKHOX-RKDXNWHRSA-N 2 0 156.273 1.112 10 0 ADAERP CCN(C[C@H](C)C[NH3+])c1cc[nH+]cc1 42442135 573953748 /nfs/dbraw/zinc/95/37/48/573953748.db2.gz BULMLFDBAUIDIU-SNVBAGLBSA-N 2 0 193.294 1.503 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH+]2CCCC2)C1 85014227 573953768 /nfs/dbraw/zinc/95/37/68/573953768.db2.gz OUJZBTHFNGMICG-ZJUUUORDSA-N 2 0 168.284 1.210 10 0 ADAERP CCN(C[C@@H](C)C[NH3+])c1cc[nH+]cc1 42442133 573953951 /nfs/dbraw/zinc/95/39/51/573953951.db2.gz BULMLFDBAUIDIU-JTQLQIEISA-N 2 0 193.294 1.503 10 0 ADAERP CC[N@H+](CCC(C)C)C[C@@H](C)C[NH3+] 42442915 573953979 /nfs/dbraw/zinc/95/39/79/573953979.db2.gz OHBFIMUXYCTJIK-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP C[C@H]([NH3+])[C@@](C)(F)[C@@H]1CC[N@H+](C)C1 257915601 573954002 /nfs/dbraw/zinc/95/40/02/573954002.db2.gz QSNIJLBFEFOTDH-DJLDLDEBSA-N 2 0 174.263 1.014 10 0 ADAERP CCC1CC[NH+](C[C@@H]([NH3+])CC)CC1 42447465 573954010 /nfs/dbraw/zinc/95/40/10/573954010.db2.gz RQIIJSPFYGTCDZ-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC1(C)c2cccc(C[NH3+])c2C[C@@H]1[NH3+] 238208654 573954472 /nfs/dbraw/zinc/95/44/72/573954472.db2.gz NRMYZCMPFKGIMU-NSHDSACASA-N 2 0 190.290 1.306 10 0 ADAERP C[C@H](C[NH2+]C1CC1)C[N@H+](C)C1CCC1 127708951 573954516 /nfs/dbraw/zinc/95/45/16/573954516.db2.gz JCSGKOGOBGISMW-SNVBAGLBSA-N 2 0 196.338 1.859 10 0 ADAERP CCC1CC[NH+]([C@H](C)CC[NH3+])CC1 42446294 573954532 /nfs/dbraw/zinc/95/45/32/573954532.db2.gz FZHFAVFZRDAOEP-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@](C)([NH3+])C1CC1 45137665 573954551 /nfs/dbraw/zinc/95/45/51/573954551.db2.gz IRPLGPGPKICNHJ-GXSJLCMTSA-N 2 0 182.311 1.502 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])C[NH2+][C@@H]1CC1(C)C 45137689 573954622 /nfs/dbraw/zinc/95/46/22/573954622.db2.gz OSNOBINQEBQFSR-LPEHRKFASA-N 2 0 184.327 1.748 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 45137777 573954656 /nfs/dbraw/zinc/95/46/56/573954656.db2.gz PMKGHUQWYYHYLG-NSHDSACASA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)C[C@H](C[C@@H]2CC[NH2+]C2)C[NH2+]1 258189065 573954657 /nfs/dbraw/zinc/95/46/57/573954657.db2.gz MMAMROSNAJNSQJ-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)C[C@@H](C[C@H]2CC[NH2+]C2)C[NH2+]1 258189061 573954676 /nfs/dbraw/zinc/95/46/76/573954676.db2.gz MMAMROSNAJNSQJ-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP CC[N@@H+](Cc1ccco1)C[C@@H](C)C[NH3+] 42445392 573954874 /nfs/dbraw/zinc/95/48/74/573954874.db2.gz ZVGWQMYLHRUGER-JTQLQIEISA-N 2 0 196.294 1.696 10 0 ADAERP C[NH2+]CCCC[N@H+](C)Cc1ccoc1 42448941 573954912 /nfs/dbraw/zinc/95/49/12/573954912.db2.gz KEKWIUWHUQTDBG-UHFFFAOYSA-N 2 0 196.294 1.711 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@](C)([NH3+])C1CC1 45137663 573954964 /nfs/dbraw/zinc/95/49/64/573954964.db2.gz IRPLGPGPKICNHJ-KOLCDFICSA-N 2 0 182.311 1.502 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]1 45137806 573955052 /nfs/dbraw/zinc/95/50/52/573955052.db2.gz KOKUSBCBCUMWJJ-VHSXEESVSA-N 2 0 182.311 1.517 10 0 ADAERP CCC1CC[NH+]([C@@H](C)CC(N)=[NH2+])CC1 42446889 573955103 /nfs/dbraw/zinc/95/51/03/573955103.db2.gz ODJCFUXDHBEJNU-VIFPVBQESA-N 2 0 197.326 1.823 10 0 ADAERP CCCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 42427329 573955139 /nfs/dbraw/zinc/95/51/39/573955139.db2.gz NTDRMBKTRZBEPI-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCC1CC[NH+](CCC(N)=[NH2+])CC1 42446875 573955207 /nfs/dbraw/zinc/95/52/07/573955207.db2.gz KXGSPQNUNSDBFQ-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP C[C@@H](C[NH2+]C1CC1)C[N@H+](C)C1CCC1 127708704 573955208 /nfs/dbraw/zinc/95/52/08/573955208.db2.gz JCSGKOGOBGISMW-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP CC1(C)c2cc(C[NH3+])ccc2C[C@@H]1[NH3+] 238208982 573955216 /nfs/dbraw/zinc/95/52/16/573955216.db2.gz FENPTAPXYMULOK-NSHDSACASA-N 2 0 190.290 1.306 10 0 ADAERP CC1C[C@@H]2C[N@@H+](C)C[C@H](C1)C2CC[NH3+] 258188625 573957149 /nfs/dbraw/zinc/95/71/49/573957149.db2.gz 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715090615 573962669 /nfs/dbraw/zinc/96/26/69/573962669.db2.gz LSPKEGQQTZGGIE-OUAUKWLOSA-N 2 0 184.327 1.463 10 0 ADAERP C[NH2+]Cc1ccc(F)c(C[NH3+])c1 257912999 573962670 /nfs/dbraw/zinc/96/26/70/573962670.db2.gz ARDWGKBBTJRSNK-UHFFFAOYSA-N 2 0 168.215 1.004 10 0 ADAERP CC(C)C[NH2+]CCc1nccn1C 40638606 573962734 /nfs/dbraw/zinc/96/27/34/573962734.db2.gz SFBZQLQGJBGUPF-UHFFFAOYSA-N 2 0 181.283 1.208 10 0 ADAERP CC[N@H+](C[C@@H]1C[C@@H]1C[NH3+])C1CCC1 715092889 573962818 /nfs/dbraw/zinc/96/28/18/573962818.db2.gz GARFFYABSGLSMY-ZJUUUORDSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@H+](Cc1cc(C[NH3+])no1)C1CCC1 127900232 573962872 /nfs/dbraw/zinc/96/28/72/573962872.db2.gz WFLHJFXVVRMQNR-UHFFFAOYSA-N 2 0 195.266 1.118 10 0 ADAERP CC[C@@H]([NH3+])CC[NH2+]Cc1ccsc1 127891983 573962907 /nfs/dbraw/zinc/96/29/07/573962907.db2.gz PGZVLUOBMZCRRP-SNVBAGLBSA-N 2 0 198.335 1.965 10 0 ADAERP C[C@H]1C[N@H+](C/C=C/C[NH3+])CC(C)(C)O1 85054972 573962946 /nfs/dbraw/zinc/96/29/46/573962946.db2.gz XWTTZASLMWGBCQ-YEZKRMTDSA-N 2 0 198.310 1.001 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C1CCC1 127896944 573962983 /nfs/dbraw/zinc/96/29/83/573962983.db2.gz MSJFZEPOVGMNKZ-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH+]1CCC([C@@]2(C)CC[NH2+]C2)CC1 257912873 573963182 /nfs/dbraw/zinc/96/31/82/573963182.db2.gz QNAVBRXTSGECNP-NSHDSACASA-N 2 0 182.311 1.328 10 0 ADAERP CCC(CC)([C@H](C)[NH3+])[C@H](C)[NH3+] 238219019 573967303 /nfs/dbraw/zinc/96/73/03/573967303.db2.gz CNIRMALFIXKILN-YUMQZZPRSA-N 2 0 158.289 1.487 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259253264 573968184 /nfs/dbraw/zinc/96/81/84/573968184.db2.gz MOQBBODNFHZJNC-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CC[N@H+](C[C@@H]1C[C@@H]1C[NH3+])[C@@H](C)C1CC1 715090939 573967326 /nfs/dbraw/zinc/96/73/26/573967326.db2.gz NKYBOEKXYPZLPF-WCQGTBRESA-N 2 0 196.338 1.702 10 0 ADAERP CCC1([NH2+]C[C@H]2C[C@H]2C[NH3+])CCC1 715093983 573967346 /nfs/dbraw/zinc/96/73/46/573967346.db2.gz KIWJBBHQSIRIKV-VHSXEESVSA-N 2 0 182.311 1.504 10 0 ADAERP CCC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238219237 573967764 /nfs/dbraw/zinc/96/77/64/573967764.db2.gz DUGGQPCATXVBPH-DCAQKATOSA-N 2 0 184.327 1.715 10 0 ADAERP CC[C@](C)(C[NH3+])[N@H+](C)[C@@H](C)COC 42517722 573968078 /nfs/dbraw/zinc/96/80/78/573968078.db2.gz UBPPFTDWIJQOPI-VHSXEESVSA-N 2 0 188.315 1.081 10 0 ADAERP CCC(CC)([C@H](C)[NH3+])[C@@H](C)[NH3+] 238218764 573968115 /nfs/dbraw/zinc/96/81/15/573968115.db2.gz CNIRMALFIXKILN-OCAPTIKFSA-N 2 0 158.289 1.487 10 0 ADAERP [NH3+]C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC12CC2 715093590 573968144 /nfs/dbraw/zinc/96/81/44/573968144.db2.gz IMJKNBYMOZKKQF-DCAQKATOSA-N 2 0 194.322 1.504 10 0 ADAERP CC(C)[N@H+](CCC(N)=[NH2+])CC1CC1 42529777 573968167 /nfs/dbraw/zinc/96/81/67/573968167.db2.gz GVEUILBOFDTUOZ-UHFFFAOYSA-N 2 0 183.299 1.433 10 0 ADAERP CC(C)C[N@H+](C[C@@H](C)C(N)=[NH2+])C1CC1 42557510 573969219 /nfs/dbraw/zinc/96/92/19/573969219.db2.gz KROMYOCNCUYUKV-SECBINFHSA-N 2 0 197.326 1.679 10 0 ADAERP CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C[NH3+])C1 715095767 573970113 /nfs/dbraw/zinc/97/01/13/573970113.db2.gz SSKJTSJLZMBUJL-VWYCJHECSA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)C[N@H+](CC[C@@H](C)[NH3+])C1CC1 42556410 573970118 /nfs/dbraw/zinc/97/01/18/573970118.db2.gz JBDXVJUUSMGHGO-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC12CC2 715093583 573969303 /nfs/dbraw/zinc/96/93/03/573969303.db2.gz IMJKNBYMOZKKQF-AXFHLTTASA-N 2 0 194.322 1.504 10 0 ADAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 42556653 573969446 /nfs/dbraw/zinc/96/94/46/573969446.db2.gz ZTHFEVYTHBIBOZ-GARJFASQSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H]([NH3+])CCNCc1ccco1 127802622 573969497 /nfs/dbraw/zinc/96/94/97/573969497.db2.gz MOVZSXAIIRXXCZ-SECBINFHSA-N 2 0 182.267 1.497 10 0 ADAERP CC[C@H]([NH3+])CC[N@@H+]1CC[C@H](C)C1 127809261 573969859 /nfs/dbraw/zinc/96/98/59/573969859.db2.gz ZSPMJIKJVUHOJP-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C[NH3+])C1 715095765 573969907 /nfs/dbraw/zinc/96/99/07/573969907.db2.gz SSKJTSJLZMBUJL-MXWKQRLJSA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259253261 573970096 /nfs/dbraw/zinc/97/00/96/573970096.db2.gz MOQBBODNFHZJNC-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP C/C(=C\[NH+](C)C)C[C@@H](C)[NH3+] 104397211 573972117 /nfs/dbraw/zinc/97/21/17/573972117.db2.gz OLTQCAHGIPIDKY-HYDMIIDASA-N 2 0 142.246 1.189 10 0 ADAERP CCCCC[NH2+][C@H]1CCN(C)C1 42545208 573972144 /nfs/dbraw/zinc/97/21/44/573972144.db2.gz QDMGHVSRSFXPMJ-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CSCCC[NH2+][C@@H]1CCN(C)C1 42545058 573972343 /nfs/dbraw/zinc/97/23/43/573972343.db2.gz XIZGCBPUDBVNLR-SECBINFHSA-N 2 0 188.340 1.033 10 0 ADAERP CC1=CC[N@H+](C[C@H]2C[C@H]2C[NH3+])CC1 715094903 573972365 /nfs/dbraw/zinc/97/23/65/573972365.db2.gz PVDGDKCHKLQHCQ-WDEREUQCSA-N 2 0 180.295 1.233 10 0 ADAERP CCC[N@H+](C[C@H]1C[C@@H]1C[NH3+])C1CC1 715095309 573972492 /nfs/dbraw/zinc/97/24/92/573972492.db2.gz QVXFYEFBZYVGKZ-NXEZZACHSA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)C[C@H]([NH3+])CCC(C)(C)[NH3+] 259590440 573972493 /nfs/dbraw/zinc/97/24/93/573972493.db2.gz ZSJCGVAHGPHYGM-SECBINFHSA-N 2 0 172.316 1.877 10 0 ADAERP C/C(=C\[NH+](C)C)C[C@H](C)[NH3+] 104397208 573972496 /nfs/dbraw/zinc/97/24/96/573972496.db2.gz OLTQCAHGIPIDKY-CZEYKFRCSA-N 2 0 142.246 1.189 10 0 ADAERP CCCCCC[NH2+][C@H]1CCN(C)C1 42545292 573972540 /nfs/dbraw/zinc/97/25/40/573972540.db2.gz CJWKFLFRIVLCLV-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CC1=CC[N@H+](C[C@H]2C[C@@H]2C[NH3+])CC1 715094893 573972678 /nfs/dbraw/zinc/97/26/78/573972678.db2.gz PVDGDKCHKLQHCQ-GHMZBOCLSA-N 2 0 180.295 1.233 10 0 ADAERP CC(C)C[C@@H]([NH3+])CCC(C)(C)[NH3+] 259590445 573972721 /nfs/dbraw/zinc/97/27/21/573972721.db2.gz ZSJCGVAHGPHYGM-VIFPVBQESA-N 2 0 172.316 1.877 10 0 ADAERP CCC[N@H+](C[C@@H]1C[C@H]1C[NH3+])C1CC1 715095314 573972879 /nfs/dbraw/zinc/97/28/79/573972879.db2.gz QVXFYEFBZYVGKZ-UWVGGRQHSA-N 2 0 182.311 1.456 10 0 ADAERP CCC[N@H+](C[C@H]1C[C@H]1C[NH3+])C1CC1 715095318 573974806 /nfs/dbraw/zinc/97/48/06/573974806.db2.gz QVXFYEFBZYVGKZ-VHSXEESVSA-N 2 0 182.311 1.456 10 0 ADAERP CC1=CC[N@H+](C[C@@H]2C[C@H]2C[NH3+])CC1 715094900 573975081 /nfs/dbraw/zinc/97/50/81/573975081.db2.gz PVDGDKCHKLQHCQ-QWRGUYRKSA-N 2 0 180.295 1.233 10 0 ADAERP CCCCCC[NH2+][C@@H]1CCN(C)C1 42545290 573975220 /nfs/dbraw/zinc/97/52/20/573975220.db2.gz CJWKFLFRIVLCLV-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC1=CC[N@H+](C[C@@H]2C[C@@H]2C[NH3+])CC1 715094898 573975270 /nfs/dbraw/zinc/97/52/70/573975270.db2.gz PVDGDKCHKLQHCQ-MNOVXSKESA-N 2 0 180.295 1.233 10 0 ADAERP CC(C)C[N@H+](C[C@@H](C)C(N)=[NH2+])C(C)C 42584199 573976201 /nfs/dbraw/zinc/97/62/01/573976201.db2.gz ORSLMPXMYNGOMY-SNVBAGLBSA-N 2 0 199.342 1.925 10 0 ADAERP CC(C)C[C@@H](C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 42584079 573976216 /nfs/dbraw/zinc/97/62/16/573976216.db2.gz BNUFDJKKFDFJCK-NXEZZACHSA-N 2 0 199.342 1.925 10 0 ADAERP CC(C)[N@H+](CC1CC1)[C@@H](C)CC(N)=[NH2+] 42584241 573976249 /nfs/dbraw/zinc/97/62/49/573976249.db2.gz DYSOCBHZSBHNDQ-VIFPVBQESA-N 2 0 197.326 1.821 10 0 ADAERP NC(=[NH2+])CC[N@@H+](C1CCCC1)C1CC1 42547868 573978711 /nfs/dbraw/zinc/97/87/11/573978711.db2.gz VPIROGQURKXVAP-UHFFFAOYSA-N 2 0 195.310 1.719 10 0 ADAERP CC(C)[N@H+](CCC(N)=[NH2+])C1CC1 42547904 573977857 /nfs/dbraw/zinc/97/78/57/573977857.db2.gz FTOCLKSVSIPHTD-UHFFFAOYSA-N 2 0 169.272 1.185 10 0 ADAERP CC(C)C[N@H+](CCCC[NH3+])C1CC1 42554546 573977905 /nfs/dbraw/zinc/97/79/05/573977905.db2.gz USSHVBKGKJANQW-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC1(C)CCC[N@@H+]1C[C@@H]1C[C@@H]1C[NH3+] 715096263 573978283 /nfs/dbraw/zinc/97/82/83/573978283.db2.gz VJINUAGPVUUELV-ZJUUUORDSA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)CC[N@H+](CCC(N)=[NH2+])C1CC1 42547862 573978401 /nfs/dbraw/zinc/97/84/01/573978401.db2.gz IRTQLXXSEUNCAQ-UHFFFAOYSA-N 2 0 197.326 1.823 10 0 ADAERP C[NH2+]C[C@H]1C[N@H+](C)CCC1(C)C 259255672 573978481 /nfs/dbraw/zinc/97/84/81/573978481.db2.gz MRKUJBNSRIRFBI-VIFPVBQESA-N 2 0 170.300 1.184 10 0 ADAERP CC(C)[C@@H]1[C@H](C)[C@H]([NH3+])[C@H](C)[C@@H](C)[C@H]1[NH3+] 256081258 573978510 /nfs/dbraw/zinc/97/85/10/573978510.db2.gz HBMMSKPAUGPKSV-KCUSNBPKSA-N 2 0 198.354 1.835 10 0 ADAERP CCCC1([NH2+]C[C@@H]2C[C@H]2C[NH3+])CC1 715096906 573978586 /nfs/dbraw/zinc/97/85/86/573978586.db2.gz XZPYSVADNJRGSQ-UWVGGRQHSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)[N@@H+](CC1CC1)C[C@@H](C)C(N)=[NH2+] 42584232 573978619 /nfs/dbraw/zinc/97/86/19/573978619.db2.gz LLQPWZDOZAHDMI-SECBINFHSA-N 2 0 197.326 1.679 10 0 ADAERP CC(C)C[C@H](C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 42584081 573978657 /nfs/dbraw/zinc/97/86/57/573978657.db2.gz BNUFDJKKFDFJCK-ZJUUUORDSA-N 2 0 199.342 1.925 10 0 ADAERP CC[C@@H]([NH3+])CC[N@H+](CC)CCOC 127828262 573980374 /nfs/dbraw/zinc/98/03/74/573980374.db2.gz NJYOEEYHXNRRQI-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP c1cc(C[NH2+]CC2CC[NH2+]CC2)c[nH]1 259030438 573979488 /nfs/dbraw/zinc/97/94/88/573979488.db2.gz ORWLJCUHWOJUCR-UHFFFAOYSA-N 2 0 193.294 1.104 10 0 ADAERP CC[C@H]([NH3+])C/C=C/[NH+](C)C 104401844 573979578 /nfs/dbraw/zinc/97/95/78/573979578.db2.gz UNBMOFNGWFXEGV-IVGLGHLBSA-N 2 0 142.246 1.189 10 0 ADAERP [NH3+]C[C@@H](C[NH2+]C1CCC1)C1CC1 258193956 573979892 /nfs/dbraw/zinc/97/98/92/573979892.db2.gz JAFAGGXLYBUGPC-VIFPVBQESA-N 2 0 168.284 1.113 10 0 ADAERP CCCC1([NH2+]C[C@@H]2C[C@@H]2C[NH3+])CC1 715096914 573980009 /nfs/dbraw/zinc/98/00/09/573980009.db2.gz XZPYSVADNJRGSQ-ZJUUUORDSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)(CC[NH3+])[C@@H]([NH3+])c1cccnc1 259257127 573980113 /nfs/dbraw/zinc/98/01/13/573980113.db2.gz IJGQLYNKMOTGPC-JTQLQIEISA-N 2 0 193.294 1.456 10 0 ADAERP CCCC1([NH2+]C[C@H]2C[C@@H]2C[NH3+])CC1 715096901 573980166 /nfs/dbraw/zinc/98/01/66/573980166.db2.gz XZPYSVADNJRGSQ-NXEZZACHSA-N 2 0 182.311 1.504 10 0 ADAERP CC[C@H](C)[N@H+](CCC(N)=[NH2+])C1CC1 42548033 573980280 /nfs/dbraw/zinc/98/02/80/573980280.db2.gz QABONSNMYANVAM-QMMMGPOBSA-N 2 0 183.299 1.575 10 0 ADAERP C[C@H]([NH3+])C[C@@H]([NH3+])C1CCCCC1 259257476 573983925 /nfs/dbraw/zinc/98/39/25/573983925.db2.gz ILCAQHFYEOPDHH-WCBMZHEXSA-N 2 0 170.300 1.631 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]([NH3+])C1CCCCC1 259257467 573983340 /nfs/dbraw/zinc/98/33/40/573983340.db2.gz ILCAQHFYEOPDHH-PSASIEDQSA-N 2 0 170.300 1.631 10 0 ADAERP C[C@H](C[NH3+])C[C@@H]([NH3+])c1cccc(F)c1 259257393 573983366 /nfs/dbraw/zinc/98/33/66/573983366.db2.gz IKQUHLKBPIOJPN-GZMMTYOYSA-N 2 0 196.269 1.810 10 0 ADAERP CC(C)[N@H+](CC[C@@H](C)[NH3+])CC1CC1 42581848 573983470 /nfs/dbraw/zinc/98/34/70/573983470.db2.gz LMKYZYZIYMJWOX-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+][C@H](C)CCC[N@@H+]1CCC[C@@H]1C 45600817 573986533 /nfs/dbraw/zinc/98/65/33/573986533.db2.gz VOJZYMRFANQNGF-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CC[N@H+](CCC[C@H](C)[NH3+])C1CC1 45599329 573986557 /nfs/dbraw/zinc/98/65/57/573986557.db2.gz NRMREOZETCSOJW-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CCCC[N@H+](C)CCC[C@H](C)[NH3+] 45598977 573986566 /nfs/dbraw/zinc/98/65/66/573986566.db2.gz QXYSVGYUEGIXDP-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP C[C@@H]([NH3+])CCCC[N@H+](C)CC1CC1 45600879 573986579 /nfs/dbraw/zinc/98/65/79/573986579.db2.gz NKKUJFBGMWZHLI-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H]1CCC[N@@H+]1CCC[C@@H](C)[NH3+] 45600840 573986608 /nfs/dbraw/zinc/98/66/08/573986608.db2.gz XIMKOPIGAZIQQN-MNOVXSKESA-N 2 0 184.327 1.988 10 0 ADAERP CC[N@H+](CCCC[C@@H](C)[NH3+])C1CC1 45599323 573986618 /nfs/dbraw/zinc/98/66/18/573986618.db2.gz QQWVJJDQNJBJMR-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]([NH3+])CCC[NH+]1CCCCC1 45598774 573986628 /nfs/dbraw/zinc/98/66/28/573986628.db2.gz GAXJMDBIVCGLTI-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H](C2([NH3+])CCC2)C1 258194863 573986092 /nfs/dbraw/zinc/98/60/92/573986092.db2.gz YVNANHXHCZSCGW-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP CC1(C)C[C@@H](C[NH+]2CCCC2)C[NH2+]1 258195398 573986331 /nfs/dbraw/zinc/98/63/31/573986331.db2.gz MZKPPMNOSAQKTQ-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]([NH3+])CCCC[N@H+](C)C1CC1 45599354 573986354 /nfs/dbraw/zinc/98/63/54/573986354.db2.gz FVWLKCRAEWRWCW-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C)C(C)(C)C1 259259925 573986468 /nfs/dbraw/zinc/98/64/68/573986468.db2.gz NBBKNEOHSHDJBZ-NSHDSACASA-N 2 0 198.354 1.964 10 0 ADAERP C[C@@H]([NH3+])CCC[N@H+](C)C1CCCC1 45599453 573986477 /nfs/dbraw/zinc/98/64/77/573986477.db2.gz JPCIJTVHXJLBDL-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[N@H+](CCC[C@@H](C)[NH3+])C1CC1 45599535 573987049 /nfs/dbraw/zinc/98/70/49/573987049.db2.gz LCAFWKZZPDGGFD-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC[N@H+](C)CCC[C@@H](C)[NH2+]C 45599313 573987076 /nfs/dbraw/zinc/98/70/76/573987076.db2.gz AIASJNORWUCXQM-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CC[C@H](C[NH3+])[C@H]([NH3+])c1ccccc1 259259616 573987088 /nfs/dbraw/zinc/98/70/88/573987088.db2.gz GSOOJMPNUFKBQH-KOLCDFICSA-N 2 0 178.279 1.671 10 0 ADAERP C[NH2+][C@@H](C)CCC[N@H+](C)CC(C)C 45599608 573987147 /nfs/dbraw/zinc/98/71/47/573987147.db2.gz DBOGTTNSHFZDBB-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC[N@H+](C)CCCC[C@H](C)[NH2+]C 45599303 573987190 /nfs/dbraw/zinc/98/71/90/573987190.db2.gz PMYYBCLTUCURNM-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP C[C@H]([NH3+])CCC[NH+]1CCCCCC1 45598726 573987220 /nfs/dbraw/zinc/98/72/20/573987220.db2.gz USAXLSVAJMYSPE-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP CCC[N@H+](C)CCCC[C@@H](C)[NH3+] 45599558 573987234 /nfs/dbraw/zinc/98/72/34/573987234.db2.gz GEVREUKRGHCJGW-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CC[C@H](C)[N@H+](C)CCC[C@@H](C)[NH3+] 45599624 573987258 /nfs/dbraw/zinc/98/72/58/573987258.db2.gz ADXUCJBPSHWGLP-ZJUUUORDSA-N 2 0 172.316 1.844 10 0 ADAERP CCCc1ccc([C@H]([NH3+])CC[NH3+])cc1 259260330 573987287 /nfs/dbraw/zinc/98/72/87/573987287.db2.gz INIGGAPPCLEOJZ-GFCCVEGCSA-N 2 0 192.306 1.988 10 0 ADAERP CC[N@H+](CCC[C@H](C)[NH3+])C(C)C 45599392 573987314 /nfs/dbraw/zinc/98/73/14/573987314.db2.gz SUIPVBBZEIZUDB-JTQLQIEISA-N 2 0 172.316 1.844 10 0 ADAERP CC[N@H+](C)CCCC[C@@H](C)[NH3+] 45599295 573987432 /nfs/dbraw/zinc/98/74/32/573987432.db2.gz SANRDWDGDKKMJM-SECBINFHSA-N 2 0 158.289 1.456 10 0 ADAERP CCC[NH2+][C@@H](C)CCC[NH+](C)C 45598926 573987485 /nfs/dbraw/zinc/98/74/85/573987485.db2.gz NLFWLRGYRZQMRJ-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP C[NH+](C)Cc1ccc([C@@H]2CC[NH2+]2)cc1 104458866 573987520 /nfs/dbraw/zinc/98/75/20/573987520.db2.gz FOLVOXULAYMJLN-LBPRGKRZSA-N 2 0 190.290 1.783 10 0 ADAERP CC[N@H+](C)CCC[C@H](C)[NH2+]C 45599314 573987585 /nfs/dbraw/zinc/98/75/85/573987585.db2.gz AIASJNORWUCXQM-VIFPVBQESA-N 2 0 158.289 1.326 10 0 ADAERP CCCC[NH2+]C[C@@H]1[C@H](C[NH3+])C1(F)F 715112104 573989538 /nfs/dbraw/zinc/98/95/38/573989538.db2.gz ZEBBBLRNTMYMCS-JGVFFNPUSA-N 2 0 192.253 1.216 10 0 ADAERP C[C@@H]([NH3+])CCCC[N@@H+]1CC[C@@H](C)C1 45601034 573989549 /nfs/dbraw/zinc/98/95/49/573989549.db2.gz VFNGRYPEPCWCKF-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](CCC[C@H](C)[NH2+]C)C1CC1 45599344 573989572 /nfs/dbraw/zinc/98/95/72/573989572.db2.gz SUOQHMHDRQKNPL-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H](C1CC1)[N@@H+](C)CCC[C@@H](C)[NH3+] 45600121 573989580 /nfs/dbraw/zinc/98/95/80/573989580.db2.gz FEEVCCRSSWFGJG-ZJUUUORDSA-N 2 0 184.327 1.844 10 0 ADAERP CC[NH2+][C@@H](C)CCC[N@H+](C)C1CC1 45599378 573989645 /nfs/dbraw/zinc/98/96/45/573989645.db2.gz VGGVCOUDYSHRPC-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@H](C)CCCC[N@H+](C)C1CC1 45599364 573989658 /nfs/dbraw/zinc/98/96/58/573989658.db2.gz RWWLWXMPNUDDLG-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@H]1C[N@H+](CC(C)C)CCC1(C)C 259259815 573989664 /nfs/dbraw/zinc/98/96/64/573989664.db2.gz MYSBTMZXVJFERI-NSHDSACASA-N 2 0 198.354 1.962 10 0 ADAERP CCC[N@H+](CC)CCC[C@H](C)[NH3+] 45599481 573989675 /nfs/dbraw/zinc/98/96/75/573989675.db2.gz UAQXRXJAAZJBKW-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP C[C@@H]([NH3+])CCCC[N@H+](C)C1CC1 45599356 573989697 /nfs/dbraw/zinc/98/96/97/573989697.db2.gz FVWLKCRAEWRWCW-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]1CCC[N@H+]1CCC[C@@H](C)[NH3+] 45600796 573989703 /nfs/dbraw/zinc/98/97/03/573989703.db2.gz RINBVAJGPCUVNM-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]([NH3+])CCCC[NH+]1CCCC1 45598592 573989053 /nfs/dbraw/zinc/98/90/53/573989053.db2.gz JJLBRTMIVRFDFM-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CC(C)C[N@H+](C)CCC[C@H](C)[NH3+] 45599593 573989175 /nfs/dbraw/zinc/98/91/75/573989175.db2.gz OLCHGQRGHBFAQW-JTQLQIEISA-N 2 0 172.316 1.702 10 0 ADAERP C[NH2+][C@H](C)CCC[N@@H+]1CC[C@@H](C)C1 45601060 573989192 /nfs/dbraw/zinc/98/91/92/573989192.db2.gz NRGHSDBSTDBTDT-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@H+](CCC[C@@H](C)[NH2+]C)C1CC1 45599342 573989265 /nfs/dbraw/zinc/98/92/65/573989265.db2.gz SUOQHMHDRQKNPL-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](C)[C@@H](C)C1CC1 45600118 573989296 /nfs/dbraw/zinc/98/92/96/573989296.db2.gz FEEVCCRSSWFGJG-UWVGGRQHSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](C)C1CCCC1 45599451 573989349 /nfs/dbraw/zinc/98/93/49/573989349.db2.gz JPCIJTVHXJLBDL-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC[NH2+][C@@H](C)CCC[N@H+](C)CC 45599315 573989451 /nfs/dbraw/zinc/98/94/51/573989451.db2.gz MCWPRVUDJZDCRW-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP C[C@H]([NH3+])CCCC[N@H+](C)CC1CC1 45600876 573989497 /nfs/dbraw/zinc/98/94/97/573989497.db2.gz NKKUJFBGMWZHLI-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@H+](C)C[C@@H]1[C@H](C[NH3+])C1(F)F 715106723 573990181 /nfs/dbraw/zinc/99/01/81/573990181.db2.gz JRCNWDODINSMJC-JGVFFNPUSA-N 2 0 192.253 1.168 10 0 ADAERP CC(C)[N@@H+](C)CCCC[C@@H](C)[NH3+] 45598756 573990183 /nfs/dbraw/zinc/99/01/83/573990183.db2.gz WTXWBXCKWOSXPS-SNVBAGLBSA-N 2 0 172.316 1.844 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](C)C1CC1 45599358 573990196 /nfs/dbraw/zinc/99/01/96/573990196.db2.gz YJOURPKZFRCIHA-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H]([NH3+])c1ccccc1 259259614 573990234 /nfs/dbraw/zinc/99/02/34/573990234.db2.gz GSOOJMPNUFKBQH-GXSJLCMTSA-N 2 0 178.279 1.671 10 0 ADAERP C[NH2+][C@H](C)CCC[N@H+](C)CC(C)C 45599606 573990249 /nfs/dbraw/zinc/99/02/49/573990249.db2.gz DBOGTTNSHFZDBB-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP C[NH2+][C@H](C)CCC[N@H+](C)C1CC1 45599376 573990257 /nfs/dbraw/zinc/99/02/57/573990257.db2.gz KVXPBNGPZPWRHR-SECBINFHSA-N 2 0 170.300 1.469 10 0 ADAERP CCCCC[C@](C)([NH3+])C[NH3+] 87648303 573990261 /nfs/dbraw/zinc/99/02/61/573990261.db2.gz AEUIDVKRNGKFDY-QMMMGPOBSA-N 2 0 144.262 1.243 10 0 ADAERP C1=CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 87647544 573990271 /nfs/dbraw/zinc/99/02/71/573990271.db2.gz ZDWQMCXBFVUKKR-NEPJUHHUSA-N 2 0 194.322 1.684 10 0 ADAERP C[NH2+][C@H](C)CCC[N@H+](C)CC1CC1 45600904 573990280 /nfs/dbraw/zinc/99/02/80/573990280.db2.gz XWWHVCMIZDQPQA-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)C[N@H+](C)CCC[C@@H](C)[NH3+] 45599591 573990298 /nfs/dbraw/zinc/99/02/98/573990298.db2.gz OLCHGQRGHBFAQW-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CC(C)[N@@H+](C)CCC[C@H](C)[NH3+] 45598759 573990305 /nfs/dbraw/zinc/99/03/05/573990305.db2.gz ZTMIAYZQJNDNNC-VIFPVBQESA-N 2 0 158.289 1.454 10 0 ADAERP CC1CC[NH+](CCC[C@H](C)[NH3+])CC1 45598579 573990312 /nfs/dbraw/zinc/99/03/12/573990312.db2.gz FFPYBDGDZALGCK-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP COCC[N@H+](C)CCCC[C@H](C)[NH3+] 45601630 573990368 /nfs/dbraw/zinc/99/03/68/573990368.db2.gz CCRMZCLASODFHI-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP C[NH2+][C@@H]1C[N@H+](CC(C)C)CCC1(C)C 259259813 573990374 /nfs/dbraw/zinc/99/03/74/573990374.db2.gz MYSBTMZXVJFERI-LLVKDONJSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[N@H+](C)CCC[C@@H](C)[NH3+] 45599561 573990388 /nfs/dbraw/zinc/99/03/88/573990388.db2.gz TXZJJWJTXPOSSD-SECBINFHSA-N 2 0 158.289 1.456 10 0 ADAERP C[NH2+][C@@H](C)CCCC[N@H+](C)C1CC1 45599362 573990405 /nfs/dbraw/zinc/99/04/05/573990405.db2.gz RWWLWXMPNUDDLG-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP Cn1cnc2cccc(/C=C/C[NH3+])c21 258196458 573990438 /nfs/dbraw/zinc/99/04/38/573990438.db2.gz XXCIXSMVGYONAC-HWKANZROSA-N 2 0 187.246 1.545 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[NH2+]C)C(C)(C)C1 259259923 573990443 /nfs/dbraw/zinc/99/04/43/573990443.db2.gz NBBKNEOHSHDJBZ-LLVKDONJSA-N 2 0 198.354 1.964 10 0 ADAERP CC[N@H+](CCCC[C@H](C)[NH3+])C1CC1 45599325 573990473 /nfs/dbraw/zinc/99/04/73/573990473.db2.gz QQWVJJDQNJBJMR-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H](C[NH3+])[C@@H]([NH3+])c1ccccc1 259259617 573990480 /nfs/dbraw/zinc/99/04/80/573990480.db2.gz GSOOJMPNUFKBQH-MWLCHTKSSA-N 2 0 178.279 1.671 10 0 ADAERP C[C@@H]([NH3+])CCC[N@@H+]1CC[C@@H](C)C1 45601040 573990495 /nfs/dbraw/zinc/99/04/95/573990495.db2.gz IPMIKBKHIRXLGB-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[NH2+][C@H](C)CCC[NH+](C)C 45598927 573990507 /nfs/dbraw/zinc/99/05/07/573990507.db2.gz NLFWLRGYRZQMRJ-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CC[N@H+](C)CCCC[C@H](C)[NH3+] 45599297 573990541 /nfs/dbraw/zinc/99/05/41/573990541.db2.gz SANRDWDGDKKMJM-VIFPVBQESA-N 2 0 158.289 1.456 10 0 ADAERP C1=CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 87647548 573990582 /nfs/dbraw/zinc/99/05/82/573990582.db2.gz ZDWQMCXBFVUKKR-VXGBXAGGSA-N 2 0 194.322 1.684 10 0 ADAERP CCC[N@H+](C)CCC[C@H](C)[NH3+] 45599563 573990601 /nfs/dbraw/zinc/99/06/01/573990601.db2.gz TXZJJWJTXPOSSD-VIFPVBQESA-N 2 0 158.289 1.456 10 0 ADAERP CC[N@@H+]1CCC[C@@](C)(C(N)=[NH2+])C1 238233199 573990683 /nfs/dbraw/zinc/99/06/83/573990683.db2.gz WOWWKTWUFALCQN-SECBINFHSA-N 2 0 169.272 1.044 10 0 ADAERP [NH3+][C@@H](c1ccncc1)[C@H]1CCC[NH2+]C1 259590742 573990770 /nfs/dbraw/zinc/99/07/70/573990770.db2.gz ZVBWWLMPGBKJQG-QWRGUYRKSA-N 2 0 191.278 1.081 10 0 ADAERP CC(C)C[C@@H](C)[N@H+](C)CCC(N)=[NH2+] 42584067 573990794 /nfs/dbraw/zinc/99/07/94/573990794.db2.gz MDAILIFMPDYKAM-SECBINFHSA-N 2 0 185.315 1.679 10 0 ADAERP [NH3+][C@H](c1ccncc1)[C@@H]1CCC[NH2+]C1 259590737 573992503 /nfs/dbraw/zinc/99/25/03/573992503.db2.gz ZVBWWLMPGBKJQG-GHMZBOCLSA-N 2 0 191.278 1.081 10 0 ADAERP C[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CCC1 686252137 573992552 /nfs/dbraw/zinc/99/25/52/573992552.db2.gz DVHFZXVWFOTGMI-NXEZZACHSA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)C[C@H](C)[N@H+](C)CCC(N)=[NH2+] 42584070 573992563 /nfs/dbraw/zinc/99/25/63/573992563.db2.gz MDAILIFMPDYKAM-VIFPVBQESA-N 2 0 185.315 1.679 10 0 ADAERP [NH3+][C@@H](c1ccncc1)[C@@H]1CCC[NH2+]C1 259590739 573992571 /nfs/dbraw/zinc/99/25/71/573992571.db2.gz ZVBWWLMPGBKJQG-MNOVXSKESA-N 2 0 191.278 1.081 10 0 ADAERP CC[N@@H+]1CCC[C@@](C)(CC[NH3+])C1 238233352 573992624 /nfs/dbraw/zinc/99/26/24/573992624.db2.gz YIWPKAQHNXDCKI-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP C1=CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC1 87647542 573992725 /nfs/dbraw/zinc/99/27/25/573992725.db2.gz ZDWQMCXBFVUKKR-RYUDHWBXSA-N 2 0 194.322 1.684 10 0 ADAERP C[C@H]([NH2+]C[C@H](C)C1CCC1)C1C[NH2+]C1 686252139 573992823 /nfs/dbraw/zinc/99/28/23/573992823.db2.gz DVHFZXVWFOTGMI-UWVGGRQHSA-N 2 0 196.338 1.620 10 0 ADAERP CC[NH2+]CC1CC[NH+](C2CCC2)CC1 87645373 573992902 /nfs/dbraw/zinc/99/29/02/573992902.db2.gz ZHAWIYSKIGOCTP-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)CC[N@H+](C)C[C@@H](C)CC[NH3+] 87637293 573992985 /nfs/dbraw/zinc/99/29/85/573992985.db2.gz VJQWRNKRMNZOQB-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CCC[C@@H](C)[NH2+]C1CC([NH3+])C1 87651057 573993943 /nfs/dbraw/zinc/99/39/43/573993943.db2.gz UXYULRAREBZLAK-AFPNSQJFSA-N 2 0 156.273 1.254 10 0 ADAERP CC1(C)C([NH2+]C2CC([NH3+])C2)C1(C)C 87652147 573993962 /nfs/dbraw/zinc/99/39/62/573993962.db2.gz YZQWEJLHVMJAJO-UHFFFAOYSA-N 2 0 182.311 1.500 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+][C@]12CCC[C@H]1C2 715112699 573993976 /nfs/dbraw/zinc/99/39/76/573993976.db2.gz AFXAGKUTMNFDNW-UTLUCORTSA-N 2 0 168.284 1.256 10 0 ADAERP C[C@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)C1 87651324 573994039 /nfs/dbraw/zinc/99/40/39/573994039.db2.gz OUZXIFGVJNIIGP-XEAZBWPWSA-N 2 0 182.311 1.644 10 0 ADAERP C[C@@H]1C[C@@H](CC2CC[NH2+]CC2)C[NH2+]1 258197625 573997523 /nfs/dbraw/zinc/99/75/23/573997523.db2.gz NBDODQUPVSDBNS-KOLCDFICSA-N 2 0 182.311 1.374 10 0 ADAERP [NH3+]C1CC([NH2+]CC2CCCC2)C1 87651327 573993398 /nfs/dbraw/zinc/99/33/98/573993398.db2.gz PASKLMXUVMKNFR-UHFFFAOYSA-N 2 0 168.284 1.256 10 0 ADAERP C[NH2+][C@@H](CCC(C)(C)[NH3+])C(C)C 259260967 573993479 /nfs/dbraw/zinc/99/34/79/573993479.db2.gz HQFNHUIYHJNWHH-VIFPVBQESA-N 2 0 172.316 1.748 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C1CCC1 127911003 573993660 /nfs/dbraw/zinc/99/36/60/573993660.db2.gz GGPKOAXTWLNYTF-KOLCDFICSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1CCC[C@@H]1[NH2+]C1CC([NH3+])C1 87651933 573993740 /nfs/dbraw/zinc/99/37/40/573993740.db2.gz QDILKDNDBMGHFM-NFTFJBJSSA-N 2 0 168.284 1.254 10 0 ADAERP CC[C@@H]([NH3+])CC[N@H+](CC1CC1)C1CC1 127911361 573993760 /nfs/dbraw/zinc/99/37/60/573993760.db2.gz YJHIPXRBGWPBAZ-LLVKDONJSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+]CCCCC[N@H+](C)C1CCC1 127903044 573993775 /nfs/dbraw/zinc/99/37/75/573993775.db2.gz MVWSKIUYSYIEFJ-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP 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574004349 /nfs/dbraw/zinc/00/43/49/574004349.db2.gz HTDUNWRZJFTKSL-VIFPVBQESA-N 2 0 177.251 1.103 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@@H]1CC[NH2+]C1 259270527 574004792 /nfs/dbraw/zinc/00/47/92/574004792.db2.gz HYWVLRYPCUMDIY-MNOVXSKESA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)(C)C1C[NH+](C[C@@H]2CC[NH2+]C2)C1 87655429 574005101 /nfs/dbraw/zinc/00/51/01/574005101.db2.gz ZUIYVJJMZQNZFT-SNVBAGLBSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C[NH3+])C[C@@H]1C 715115605 574005289 /nfs/dbraw/zinc/00/52/89/574005289.db2.gz QDJGPDBKIBXLPF-RHYQMDGZSA-N 2 0 196.338 1.559 10 0 ADAERP CCC[N@@H+]1CCC[NH2+]CCC1(C)C 259272264 574007557 /nfs/dbraw/zinc/00/75/57/574007557.db2.gz GDIMPPDDKPIWFD-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CC[N@H+]1CC=C(C[C@H](C)[NH3+])CC1 258199884 574006825 /nfs/dbraw/zinc/00/68/25/574006825.db2.gz UNKMYDZNOGFQTD-VIFPVBQESA-N 2 0 168.284 1.376 10 0 ADAERP CCC[C@H](C[NH2+]C(C)C)[NH2+]C 259270741 574006955 /nfs/dbraw/zinc/00/69/55/574006955.db2.gz 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ADAERP CC[N@H+]1CC=C(CC[NH+](C)C)CC1 258202276 574009426 /nfs/dbraw/zinc/00/94/26/574009426.db2.gz UROFNHLMEMYFRV-UHFFFAOYSA-N 2 0 182.311 1.590 10 0 ADAERP C[NH+](C)Cc1cccc(C2([NH3+])CC2)c1 104493294 574009495 /nfs/dbraw/zinc/00/94/95/574009495.db2.gz QLQNFSNFXGBXFI-UHFFFAOYSA-N 2 0 190.290 1.696 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](CC2([NH3+])CCC2)C1 258204592 574009851 /nfs/dbraw/zinc/00/98/51/574009851.db2.gz ZLBSVLBIHJVZMG-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP CCC[N@@H+]1CCC(C)(C)[C@@H](C[NH2+]C)C1 259272149 574009864 /nfs/dbraw/zinc/00/98/64/574009864.db2.gz NSTLTAQTNXUGRW-NSHDSACASA-N 2 0 198.354 1.964 10 0 ADAERP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238247341 574009876 /nfs/dbraw/zinc/00/98/76/574009876.db2.gz ZRINLIIHOPHAPQ-GUBZILKMSA-N 2 0 170.300 1.325 10 0 ADAERP [NH3+]C[C@@H](C[NH+]1CCCC1)C1CCCC1 258465973 574009889 /nfs/dbraw/zinc/00/98/89/574009889.db2.gz YCLPVAKRWZVKAH-LBPRGKRZSA-N 2 0 196.338 1.847 10 0 ADAERP C[NH2+]C(C)(C)[C@H]([NH3+])C1CCCCC1 259271469 574010747 /nfs/dbraw/zinc/01/07/47/574010747.db2.gz IXTJLLAUTJPEED-SNVBAGLBSA-N 2 0 184.327 1.892 10 0 ADAERP CC[N@@H+]1C[C@H](C[NH2+]C)CCC1(C)C 259272139 574011722 /nfs/dbraw/zinc/01/17/22/574011722.db2.gz GCKKOZOAAQLPSC-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CCc1cccc(Cl)c1[C@H](N)C[NH3+] 104495231 574011939 /nfs/dbraw/zinc/01/19/39/574011939.db2.gz RAMZKRCANOCABI-SECBINFHSA-N 2 0 198.697 1.861 10 0 ADAERP CC(C)[N@@H+]1C[C@H]2C[NH+](C3CC3)C[C@H]2C1 585382037 574012012 /nfs/dbraw/zinc/01/20/12/574012012.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 2 0 194.322 1.421 10 0 ADAERP CCC[N@@H+]1C[C@H]2C[NH+](C3CC3)C[C@H]2C1 585382258 574012045 /nfs/dbraw/zinc/01/20/45/574012045.db2.gz KWYHYKBEBJYERC-PHIMTYICSA-N 2 0 194.322 1.422 10 0 ADAERP CC(C)CC[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 585382404 574012196 /nfs/dbraw/zinc/01/21/96/574012196.db2.gz MZJBLYCFVBZDJG-RYUDHWBXSA-N 2 0 196.338 1.526 10 0 ADAERP CC(C)[NH+]1C[C@H]2C[NH+](C3CC3)C[C@@H]2C1 585382038 574012229 /nfs/dbraw/zinc/01/22/29/574012229.db2.gz GRWSDHQXPHYPQO-QWRGUYRKSA-N 2 0 194.322 1.421 10 0 ADAERP C[N@@H+]1C[C@H]2C[NH+](C3CCCC3)C[C@H]2C1 585382923 574012874 /nfs/dbraw/zinc/01/28/74/574012874.db2.gz WBYTWQKHSMIHSF-PHIMTYICSA-N 2 0 194.322 1.422 10 0 ADAERP CC(C)CC[NH+]1C[C@H]2C[NH+](C)C[C@@H]2C1 585382409 574013139 /nfs/dbraw/zinc/01/31/39/574013139.db2.gz MZJBLYCFVBZDJG-VXGBXAGGSA-N 2 0 196.338 1.526 10 0 ADAERP [NH3+]CC/C=C1/CC[N@@H+]2CCC[C@@H]12 123398896 574013325 /nfs/dbraw/zinc/01/33/25/574013325.db2.gz YCIPTKFBKFAJGY-BNFOFFDWSA-N 2 0 166.268 1.130 10 0 ADAERP C[NH+]1C[C@@H]2C[NH+](C3CCCC3)C[C@H]2C1 585382922 574013369 /nfs/dbraw/zinc/01/33/69/574013369.db2.gz WBYTWQKHSMIHSF-GHMZBOCLSA-N 2 0 194.322 1.422 10 0 ADAERP CCc1c(Cl)cccc1[C@H](N)C[NH3+] 104495226 574014703 /nfs/dbraw/zinc/01/47/03/574014703.db2.gz SLCQJQDFCXGUGV-SNVBAGLBSA-N 2 0 198.697 1.861 10 0 ADAERP Cc1c(F)cc(F)cc1[C@H](N)C[NH3+] 104496812 574014970 /nfs/dbraw/zinc/01/49/70/574014970.db2.gz CSLNDOSYTAFGCQ-SECBINFHSA-N 2 0 186.205 1.232 10 0 ADAERP CCc1ccc(Cl)cc1[C@H](N)C[NH3+] 104495221 574015010 /nfs/dbraw/zinc/01/50/10/574015010.db2.gz VVDSKMKXNWHWBG-SNVBAGLBSA-N 2 0 198.697 1.861 10 0 ADAERP C[N@@H+]1CC[NH2+]CC2(CCCC2)C1 259272961 574015021 /nfs/dbraw/zinc/01/50/21/574015021.db2.gz PELPUNGVPCANRT-UHFFFAOYSA-N 2 0 168.284 1.082 10 0 ADAERP C[C@H]([NH3+])CC[C@@H](c1ccc[nH]1)[NH+](C)C 259274134 574016308 /nfs/dbraw/zinc/01/63/08/574016308.db2.gz CCAJNZMBDORKAF-ONGXEEELSA-N 2 0 195.310 1.745 10 0 ADAERP C[NH+](C)Cc1ccc([C@H]2CC[NH2+]2)cc1 104499557 574016400 /nfs/dbraw/zinc/01/64/00/574016400.db2.gz FOLVOXULAYMJLN-GFCCVEGCSA-N 2 0 190.290 1.783 10 0 ADAERP CC[N@@H+]1C[C@H](C[NH3+])CCC1(C)C 259275042 574016704 /nfs/dbraw/zinc/01/67/04/574016704.db2.gz GHDUUUFOMUSTBC-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H]([NH3+])CC[C@H](c1ccc[nH]1)[NH+](C)C 259274133 574016782 /nfs/dbraw/zinc/01/67/82/574016782.db2.gz CCAJNZMBDORKAF-MWLCHTKSSA-N 2 0 195.310 1.745 10 0 ADAERP C[C@H]([NH3+])CC[C@H](c1ccc[nH]1)[NH+](C)C 259274129 574018109 /nfs/dbraw/zinc/01/81/09/574018109.db2.gz CCAJNZMBDORKAF-GXSJLCMTSA-N 2 0 195.310 1.745 10 0 ADAERP Nc1ccnc([C@@H]2CCC[NH2+]2)c1 104507317 574018382 /nfs/dbraw/zinc/01/83/82/574018382.db2.gz UIMCKJVXKRHNAG-QMMMGPOBSA-N 2 0 163.224 1.088 10 0 ADAERP [NH3+][C@@H](C[C@H]1CCC[NH2+]C1)c1ccc[nH]1 259276352 574019909 /nfs/dbraw/zinc/01/99/09/574019909.db2.gz JBJLPJBDDIPZKY-ZJUUUORDSA-N 2 0 193.294 1.404 10 0 ADAERP [NH3+][C@H](C[C@H]1CCC[NH2+]C1)c1ccc[nH]1 259276340 574020155 /nfs/dbraw/zinc/02/01/55/574020155.db2.gz JBJLPJBDDIPZKY-NXEZZACHSA-N 2 0 193.294 1.404 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+]CCc1cc[nH]c1 259033056 574021523 /nfs/dbraw/zinc/02/15/23/574021523.db2.gz ZWGGZCLKMYMPME-SNVBAGLBSA-N 2 0 195.310 1.132 10 0 ADAERP C[C@H](CC[NH3+])[C@H]([NH3+])c1ccccc1F 259279197 574021600 /nfs/dbraw/zinc/02/16/00/574021600.db2.gz JDSDQPPFAALCGS-KCJUWKMLSA-N 2 0 196.269 1.810 10 0 ADAERP C[NH2+][C@H](c1ccc(F)cc1)[C@@H](C)C[NH3+] 259277128 574021643 /nfs/dbraw/zinc/02/16/43/574021643.db2.gz HHTDBGUASQSIJP-KWQFWETISA-N 2 0 196.269 1.681 10 0 ADAERP C[N@@H+]1CC[C@H](CC[C@H]2CC[NH2+]C2)C1 259277442 574021669 /nfs/dbraw/zinc/02/16/69/574021669.db2.gz YQLFRAFEMXVZEQ-QWRGUYRKSA-N 2 0 182.311 1.328 10 0 ADAERP CCC[C@@]1([NH2+]CC2([NH3+])CC2)CCOC1 393501976 574021708 /nfs/dbraw/zinc/02/17/08/574021708.db2.gz SVKPKYIUBMBRAK-LLVKDONJSA-N 2 0 198.310 1.027 10 0 ADAERP C[N@@H+]1CC[C@@H](CCCC[NH3+])C1 259277717 574021718 /nfs/dbraw/zinc/02/17/18/574021718.db2.gz YVTWVUBQXQLGHS-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP CCC[C@H]([NH3+])C(C)(C)[NH2+]C 259279230 574021802 /nfs/dbraw/zinc/02/18/02/574021802.db2.gz JDURLJBQKXWTLR-ZETCQYMHSA-N 2 0 144.262 1.112 10 0 ADAERP CC[C@H](C[NH3+])[C@H](CC(C)C)[NH2+]C 259278555 574022045 /nfs/dbraw/zinc/02/20/45/574022045.db2.gz PEZDSVOFGDVDLD-ZJUUUORDSA-N 2 0 172.316 1.605 10 0 ADAERP CCC[C@]1([NH2+]CC2([NH3+])CC2)CCOC1 393501978 574022128 /nfs/dbraw/zinc/02/21/28/574022128.db2.gz SVKPKYIUBMBRAK-NSHDSACASA-N 2 0 198.310 1.027 10 0 ADAERP CC[C@@H](C[NH2+]C)C[C@@H]1CC[N@H+](C)C1 259279207 574022257 /nfs/dbraw/zinc/02/22/57/574022257.db2.gz JDSPSPHPHYWLGP-MNOVXSKESA-N 2 0 184.327 1.574 10 0 ADAERP C[N@@H+]1CC[C@H](CC[C@@H]2CC[NH2+]C2)C1 259277440 574022369 /nfs/dbraw/zinc/02/23/69/574022369.db2.gz YQLFRAFEMXVZEQ-MNOVXSKESA-N 2 0 182.311 1.328 10 0 ADAERP C[NH2+][C@H](c1ccccc1)C1(C[NH3+])CC1 259279067 574022488 /nfs/dbraw/zinc/02/24/88/574022488.db2.gz IGQOSPMTIHZSFY-LLVKDONJSA-N 2 0 190.290 1.686 10 0 ADAERP C[NH2+][C@@H](c1ccccc1)C1(C[NH3+])CC1 259279071 574022537 /nfs/dbraw/zinc/02/25/37/574022537.db2.gz IGQOSPMTIHZSFY-NSHDSACASA-N 2 0 190.290 1.686 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]CCc1cc[nH]c1 259033055 574022667 /nfs/dbraw/zinc/02/26/67/574022667.db2.gz ZWGGZCLKMYMPME-JTQLQIEISA-N 2 0 195.310 1.132 10 0 ADAERP C[C@H]([NH3+])CC[C@@H]([NH3+])c1cc[nH]c1 259279349 574024953 /nfs/dbraw/zinc/02/49/53/574024953.db2.gz JFIUEZZNWIITSO-IONNQARKSA-N 2 0 167.256 1.142 10 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C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCC1CC1 85286104 574027719 /nfs/dbraw/zinc/02/77/19/574027719.db2.gz QLVCZFSENJVYNA-YUSALJHKSA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@@H](C(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282059 574027727 /nfs/dbraw/zinc/02/77/27/574027727.db2.gz KGYNHSZCCWDXRE-TUAOUCFPSA-N 2 0 196.338 1.572 10 0 ADAERP CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC 85286749 574027742 /nfs/dbraw/zinc/02/77/42/574027742.db2.gz RZAWKARMOFKUKC-DCAQKATOSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282079 574027792 /nfs/dbraw/zinc/02/77/92/574027792.db2.gz YXJUJTGZHGIIFB-WISYIIOYSA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C(C)C 85286643 574027844 /nfs/dbraw/zinc/02/78/44/574027844.db2.gz RRXYXWYABMTPTN-GMTAPVOTSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCCC1 85283887 574027920 /nfs/dbraw/zinc/02/79/20/574027920.db2.gz HTDSBNJHESZIBL-CKYFFXLPSA-N 2 0 194.322 1.469 10 0 ADAERP CCC(CC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282192 574027950 /nfs/dbraw/zinc/02/79/50/574027950.db2.gz IARRNPRDLWKGGB-AOOOYVTPSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCC1 85286458 574027957 /nfs/dbraw/zinc/02/79/57/574027957.db2.gz RQAKLYGTPNSBQN-ADEWGFFLSA-N 2 0 194.322 1.469 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCC1 85286454 574028033 /nfs/dbraw/zinc/02/80/33/574028033.db2.gz RQAKLYGTPNSBQN-YUSALJHKSA-N 2 0 194.322 1.469 10 0 ADAERP CC[C@H](C(C)C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282062 574028046 /nfs/dbraw/zinc/02/80/46/574028046.db2.gz KGYNHSZCCWDXRE-IJLUTSLNSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCCC1 85283882 574028064 /nfs/dbraw/zinc/02/80/64/574028064.db2.gz HTDSBNJHESZIBL-FOGDFJRCSA-N 2 0 194.322 1.469 10 0 ADAERP CCC(CC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284122 574028235 /nfs/dbraw/zinc/02/82/35/574028235.db2.gz LRJDCGQDRLEEHL-JBLDHEPKSA-N 2 0 196.338 1.715 10 0 ADAERP CC1(C)CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1 87772860 574028285 /nfs/dbraw/zinc/02/82/85/574028285.db2.gz OHUGAZPJKRMVPO-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP CCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284087 574028293 /nfs/dbraw/zinc/02/82/93/574028293.db2.gz OKVADJNEGRBIQH-GARJFASQSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@H](C1CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282303 574028297 /nfs/dbraw/zinc/02/82/97/574028297.db2.gz REYPCTPRYXYIOH-GRYCIOLGSA-N 2 0 194.322 1.326 10 0 ADAERP CC1(C)CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1 87772861 574028307 /nfs/dbraw/zinc/02/83/07/574028307.db2.gz OHUGAZPJKRMVPO-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H](C1CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282305 574028308 /nfs/dbraw/zinc/02/83/08/574028308.db2.gz REYPCTPRYXYIOH-IJLUTSLNSA-N 2 0 194.322 1.326 10 0 ADAERP CC(C)(C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282148 574028310 /nfs/dbraw/zinc/02/83/10/574028310.db2.gz LEMYVSUPIRDLNN-NXEZZACHSA-N 2 0 182.311 1.184 10 0 ADAERP 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259292529 574036706 /nfs/dbraw/zinc/03/67/06/574036706.db2.gz HUPIXUKYYUMGEZ-JTQLQIEISA-N 2 0 191.278 1.210 10 0 ADAERP C[NH2+][C@@H](C1CCC1)C1CC([NH3+])C1 259291303 574036712 /nfs/dbraw/zinc/03/67/12/574036712.db2.gz IRSNBTNOSVXXIT-RTBKNWGFSA-N 2 0 168.284 1.112 10 0 ADAERP C[N@@H+]1CC[C@@H](CC[C@@H]2CCC[NH2+]C2)C1 259291005 574036741 /nfs/dbraw/zinc/03/67/41/574036741.db2.gz ZVNLZCARHYENTB-NWDGAFQWSA-N 2 0 196.338 1.718 10 0 ADAERP CCC[C@H](C[C@@H]1CC[NH2+]C1)[NH+](C)C 259290687 574036759 /nfs/dbraw/zinc/03/67/59/574036759.db2.gz CSKWASFMAVRANW-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@H](C1CCC1)C1CC([NH3+])C1 259291308 574036771 /nfs/dbraw/zinc/03/67/71/574036771.db2.gz IRSNBTNOSVXXIT-UDNWOFFPSA-N 2 0 168.284 1.112 10 0 ADAERP [NH3+]CC1([C@H]([NH3+])c2cccnc2)CCC1 259292534 574036939 /nfs/dbraw/zinc/03/69/39/574036939.db2.gz HUPIXUKYYUMGEZ-SNVBAGLBSA-N 2 0 191.278 1.210 10 0 ADAERP CC(C)C[C@@H](C[C@@H](C)[NH3+])[NH+](C)C 259290561 574036995 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CC(C)([NH3+])CS[C@H]1CCC[NH2+]C1 85349557 574043252 /nfs/dbraw/zinc/04/32/52/574043252.db2.gz XKQQZCCEGSXPNE-QMMMGPOBSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H](CC[NH+](C)C)N1CCCC1=[NH2+] 49558010 574043276 /nfs/dbraw/zinc/04/32/76/574043276.db2.gz RZBKDHSZARXLAQ-SECBINFHSA-N 2 0 183.299 1.400 10 0 ADAERP [NH3+][C@H](C[C@H]1CCC[NH2+]1)C1CCC1 259297000 574043283 /nfs/dbraw/zinc/04/32/83/574043283.db2.gz KAAVTQNRZZVXNJ-NXEZZACHSA-N 2 0 168.284 1.256 10 0 ADAERP Cc1ccsc1[C@H]([NH3+])C[C@H](C)[NH3+] 259296843 574043339 /nfs/dbraw/zinc/04/33/39/574043339.db2.gz JXPWZGJZMGLZID-JGVFFNPUSA-N 2 0 184.308 1.794 10 0 ADAERP Cc1ccsc1[C@H]([NH3+])C[C@@H](C)[NH3+] 259296841 574043382 /nfs/dbraw/zinc/04/33/82/574043382.db2.gz JXPWZGJZMGLZID-HTQZYQBOSA-N 2 0 184.308 1.794 10 0 ADAERP Cc1ccsc1[C@@H]([NH3+])C[C@@H](C)[NH3+] 259296844 574043387 /nfs/dbraw/zinc/04/33/87/574043387.db2.gz JXPWZGJZMGLZID-SFYZADRCSA-N 2 0 184.308 1.794 10 0 ADAERP CC(C)[C@H]([NH3+])C(C)(C)CC[NH3+] 259296919 574043435 /nfs/dbraw/zinc/04/34/35/574043435.db2.gz JYXYSVZPYPNPBN-QMMMGPOBSA-N 2 0 158.289 1.345 10 0 ADAERP Cc1ccsc1[C@@H]([NH3+])C[C@H](C)[NH3+] 259296846 574043465 /nfs/dbraw/zinc/04/34/65/574043465.db2.gz JXPWZGJZMGLZID-YUMQZZPRSA-N 2 0 184.308 1.794 10 0 ADAERP C[NH2+][C@H](C[C@H](C)[NH3+])c1cccc(F)c1 259297706 574043603 /nfs/dbraw/zinc/04/36/03/574043603.db2.gz HZUOITQIQUGRPB-GZMMTYOYSA-N 2 0 196.269 1.824 10 0 ADAERP C[C@H](CC[NH+](C)C)Nc1cc[nH+]cc1 49558714 574043667 /nfs/dbraw/zinc/04/36/67/574043667.db2.gz SLYYXZSOQCIKRJ-SNVBAGLBSA-N 2 0 193.294 1.834 10 0 ADAERP Cc1ccccc1[C@@H]([NH3+])CCC[NH3+] 259296802 574043672 /nfs/dbraw/zinc/04/36/72/574043672.db2.gz JXDQFHDJKIXDEK-NSHDSACASA-N 2 0 178.279 1.734 10 0 ADAERP CC(C)([NH3+])CS[C@@H]1CCC[NH2+]C1 85349556 574043675 /nfs/dbraw/zinc/04/36/75/574043675.db2.gz XKQQZCCEGSXPNE-MRVPVSSYSA-N 2 0 188.340 1.209 10 0 ADAERP C/C(=C/C[NH3+])C[NH2+][C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 717007083 574047464 /nfs/dbraw/zinc/04/74/64/574047464.db2.gz VDKGSIJXNGGVKC-PYUMCETOSA-N 2 0 194.322 1.526 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@H]([NH3+])CC1(C)C 259300323 574047731 /nfs/dbraw/zinc/04/77/31/574047731.db2.gz HMNWEHHZLVLVQA-VIFPVBQESA-N 2 0 184.327 1.987 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@@H]([NH3+])CC1(C)C 259300318 574047808 /nfs/dbraw/zinc/04/78/08/574047808.db2.gz HMNWEHHZLVLVQA-SECBINFHSA-N 2 0 184.327 1.987 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H](C[NH3+])C1(C)C 259300395 574047887 /nfs/dbraw/zinc/04/78/87/574047887.db2.gz HMYFBHMPHOUNQM-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP [NH3+]CC1=CC[N@@H+](C2CCCCC2)CC1 259300254 574047986 /nfs/dbraw/zinc/04/79/86/574047986.db2.gz VEGKXJSKCDYIIU-UHFFFAOYSA-N 2 0 194.322 1.910 10 0 ADAERP CCCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1C1CC1 717008616 574047994 /nfs/dbraw/zinc/04/79/94/574047994.db2.gz BVALFGJXSHULSP-SRVKXCTJSA-N 2 0 196.338 1.892 10 0 ADAERP CCCC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H]1C1CC1 717008620 574048027 /nfs/dbraw/zinc/04/80/27/574048027.db2.gz BVALFGJXSHULSP-TUAOUCFPSA-N 2 0 196.338 1.892 10 0 ADAERP Cc1c[nH+]c(NCC(C)(C)[NH3+])cc1N 1160032286 760807712 /nfs/dbraw/zinc/80/77/12/760807712.db2.gz QSNHXMDAETXFAX-UHFFFAOYSA-N 2 0 194.282 1.121 10 0 ADAERP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])cc1N 1159778714 760808214 /nfs/dbraw/zinc/80/82/14/760808214.db2.gz RRJRMRFYLVXJDS-MRVPVSSYSA-N 2 0 194.282 1.121 10 0 ADAERP CC(C)[NH2+]C1CC[NH+](CC2CC2)CC1 1168347234 760899941 /nfs/dbraw/zinc/89/99/41/760899941.db2.gz JQLLXWGSWLQPSK-UHFFFAOYSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2C 1169099500 760943518 /nfs/dbraw/zinc/94/35/18/760943518.db2.gz TWAXMXSRUCZWMR-FIQHERPVSA-N 2 0 196.338 2.000 10 0 ADAERP CC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2C 1169099503 760949212 /nfs/dbraw/zinc/94/92/12/760949212.db2.gz TWAXMXSRUCZWMR-YFKTTZPYSA-N 2 0 196.338 2.000 10 0 ADAERP CC[C@@H](C)[NH2+][C@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2C 1169099501 760951072 /nfs/dbraw/zinc/95/10/72/760951072.db2.gz TWAXMXSRUCZWMR-KKOKHZNYSA-N 2 0 196.338 2.000 10 0 ADAERP CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2C 1169099502 760957662 /nfs/dbraw/zinc/95/76/62/760957662.db2.gz TWAXMXSRUCZWMR-WISYIIOYSA-N 2 0 196.338 2.000 10 0 ADAERP CC[C@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CCO1 1170178122 761038661 /nfs/dbraw/zinc/03/86/61/761038661.db2.gz NHRRCXMPNOXRBB-DJRKXVOMSA-N 2 0 198.310 1.023 10 0 ADAERP CC[C@@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CCO1 1170178125 761039917 /nfs/dbraw/zinc/03/99/17/761039917.db2.gz NHRRCXMPNOXRBB-VGRIYTJTSA-N 2 0 198.310 1.023 10 0 ADAERP CC[C@@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CCO1 1170178124 761041768 /nfs/dbraw/zinc/04/17/68/761041768.db2.gz NHRRCXMPNOXRBB-QONHTCSSSA-N 2 0 198.310 1.023 10 0 ADAERP CC[C@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CCO1 1170178127 761043131 /nfs/dbraw/zinc/04/31/31/761043131.db2.gz NHRRCXMPNOXRBB-YIYTYNFBSA-N 2 0 198.310 1.023 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)C1 1173267492 761229733 /nfs/dbraw/zinc/22/97/33/761229733.db2.gz MIZVYRZGAVXQII-VKAADOFISA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)C1 1173267491 761233038 /nfs/dbraw/zinc/23/30/38/761233038.db2.gz MIZVYRZGAVXQII-QPBDYMMBSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)C1 1173267493 761236589 /nfs/dbraw/zinc/23/65/89/761236589.db2.gz MIZVYRZGAVXQII-XEAZBWPWSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)C1 1173267490 761239849 /nfs/dbraw/zinc/23/98/49/761239849.db2.gz MIZVYRZGAVXQII-BZCXBAJXSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1 1173272900 761242559 /nfs/dbraw/zinc/24/25/59/761242559.db2.gz MDBXEMMHAPQWLB-HBNTYKKESA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1 1173272894 761242618 /nfs/dbraw/zinc/24/26/18/761242618.db2.gz MDBXEMMHAPQWLB-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1 1173272898 761249949 /nfs/dbraw/zinc/24/99/49/761249949.db2.gz MDBXEMMHAPQWLB-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH3+])C1 1173272902 761253701 /nfs/dbraw/zinc/25/37/01/761253701.db2.gz MDBXEMMHAPQWLB-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 1198260337 761713289 /nfs/dbraw/zinc/71/32/89/761713289.db2.gz HZLMNHFSCQZDRZ-MNOVXSKESA-N 2 0 182.311 1.280 10 0 ADAERP CC(C)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1201470128 761765825 /nfs/dbraw/zinc/76/58/25/761765825.db2.gz CXZXILDWWCQNHC-NEPJUHHUSA-N 2 0 196.338 1.526 10 0 ADAERP CCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1201637730 761801799 /nfs/dbraw/zinc/80/17/99/761801799.db2.gz AIBYHKATOKOVNP-MNOVXSKESA-N 2 0 182.311 1.280 10 0 ADAERP [NH3+]CCCC[N@@H+]1CC[C@H]2CCC[C@@H]2C1 1235226092 764592337 /nfs/dbraw/zinc/59/23/37/764592337.db2.gz YCXFUGNNDIYAFY-VXGBXAGGSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CCCC[N@@H+]1CC[C@@H]2CCC[C@H]2C1 1235226091 764593519 /nfs/dbraw/zinc/59/35/19/764593519.db2.gz YCXFUGNNDIYAFY-RYUDHWBXSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CCCC[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 1235226090 764596408 /nfs/dbraw/zinc/59/64/08/764596408.db2.gz YCXFUGNNDIYAFY-NWDGAFQWSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CCCC[N@@H+]1CC[C@H]2CCC[C@H]2C1 1235226089 764596669 /nfs/dbraw/zinc/59/66/69/764596669.db2.gz YCXFUGNNDIYAFY-NEPJUHHUSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CCCC[N@@H+]1CCC[C@@H]1CF 1237147892 764677622 /nfs/dbraw/zinc/67/76/22/764677622.db2.gz YXXOWWBMSRDRDV-SECBINFHSA-N 2 0 174.263 1.159 10 0 ADAERP C1=C(c2ccc3c[nH+]cn3c2)C[NH2+]C1 1243107995 765071980 /nfs/dbraw/zinc/07/19/80/765071980.db2.gz AUAVVDMFHUVSSG-UHFFFAOYSA-N 2 0 185.230 1.321 10 0 ADAERP C1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 1246220865 765220029 /nfs/dbraw/zinc/22/00/29/765220029.db2.gz GEGRPQNRLGNVMH-HOSYDEDBSA-N 2 0 194.322 1.517 10 0 ADAERP CCSC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 1246300830 765237037 /nfs/dbraw/zinc/23/70/37/765237037.db2.gz PFUWXWUELYTNGQ-DTWKUNHWSA-N 2 0 190.356 1.455 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](CC)C1 1246313783 765237254 /nfs/dbraw/zinc/23/72/54/765237254.db2.gz LGIPXHBOOMPNOF-GARJFASQSA-N 2 0 184.327 1.892 10 0 ADAERP CSCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 1246302742 765238229 /nfs/dbraw/zinc/23/82/29/765238229.db2.gz AHDHNEXWWDSAHR-IUCAKERBSA-N 2 0 190.356 1.455 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](CC)C1 1246313784 765238392 /nfs/dbraw/zinc/23/83/92/765238392.db2.gz LGIPXHBOOMPNOF-OUAUKWLOSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 1246298605 765239109 /nfs/dbraw/zinc/23/91/09/765239109.db2.gz BWLDXOPGTOVNAO-HBNTYKKESA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]C1C[C@@H]2CC[C@H](C1)O2 1246303843 765239227 /nfs/dbraw/zinc/23/92/27/765239227.db2.gz JROBWYSGUGRGAE-OFLUOSHYSA-N 2 0 198.310 1.023 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 1246298602 765239940 /nfs/dbraw/zinc/23/99/40/765239940.db2.gz BWLDXOPGTOVNAO-AXFHLTTASA-N 2 0 184.327 1.892 10 0 ADAERP CSCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 1246302739 765241279 /nfs/dbraw/zinc/24/12/79/765241279.db2.gz AHDHNEXWWDSAHR-DTWKUNHWSA-N 2 0 190.356 1.455 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](CC)C1 1246313782 765242101 /nfs/dbraw/zinc/24/21/01/765242101.db2.gz LGIPXHBOOMPNOF-DCAQKATOSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](CC)C1 1246313786 765242440 /nfs/dbraw/zinc/24/24/40/765242440.db2.gz LGIPXHBOOMPNOF-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@H]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 1246298603 765243127 /nfs/dbraw/zinc/24/31/27/765243127.db2.gz BWLDXOPGTOVNAO-DCAQKATOSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@H]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 1246298604 765243301 /nfs/dbraw/zinc/24/33/01/765243301.db2.gz BWLDXOPGTOVNAO-GARJFASQSA-N 2 0 184.327 1.892 10 0 ADAERP CCSC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 1246300832 765244202 /nfs/dbraw/zinc/24/42/02/765244202.db2.gz PFUWXWUELYTNGQ-IUCAKERBSA-N 2 0 190.356 1.455 10 0 ADAERP C[C@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 1246588891 765301170 /nfs/dbraw/zinc/30/11/70/765301170.db2.gz BGQRFNRNYXFUIB-AXFHLTTASA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 1246588892 765303242 /nfs/dbraw/zinc/30/32/42/765303242.db2.gz BGQRFNRNYXFUIB-HBNTYKKESA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1CC[C@H]([N@H+]2CCC[C@H]2C)C[NH2+]1 1246770250 765314030 /nfs/dbraw/zinc/31/40/30/765314030.db2.gz OSMBXWSSGHOJEN-AXFHLTTASA-N 2 0 182.311 1.611 10 0 ADAERP C[C@H]1CC[C@@H]([N@H+]2CCC[C@H]2C)C[NH2+]1 1246770251 765316174 /nfs/dbraw/zinc/31/61/74/765316174.db2.gz OSMBXWSSGHOJEN-HBNTYKKESA-N 2 0 182.311 1.611 10 0 ADAERP C[C@H]1C[C@@H]([N@H+]2CCC[C@H]2C)CC[NH2+]1 1246768679 765316473 /nfs/dbraw/zinc/31/64/73/765316473.db2.gz GEIFMYVVRNYQAS-AXFHLTTASA-N 2 0 182.311 1.611 10 0 ADAERP C[C@H]1CCC[C@@H](C)[N@@H+]1CCCC[NH3+] 19276709 1169057245 /nfs/dbraw/zinc/05/72/45/1169057245.db2.gz CLHNVBRCQXWHLZ-PHIMTYICSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]1CCC[C@H](C)[NH+]1CCCC[NH3+] 19276711 1169058546 /nfs/dbraw/zinc/05/85/46/1169058546.db2.gz CLHNVBRCQXWHLZ-QWRGUYRKSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCCC[NH3+] 19276707 1169058925 /nfs/dbraw/zinc/05/89/25/1169058925.db2.gz CLHNVBRCQXWHLZ-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP [NH3+]CCCC[NH+]1CC2CCC(CC2)C1 34077639 1169069320 /nfs/dbraw/zinc/06/93/20/1169069320.db2.gz ZZTRQMQDXMQBAP-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 37109515 1169075319 /nfs/dbraw/zinc/07/53/19/1169075319.db2.gz ZZFYFRYVCUOLND-IUCAKERBSA-N 2 0 158.289 1.312 10 0 ADAERP CCCCC[N@H+](C)CCCC[NH3+] 37164763 1169075680 /nfs/dbraw/zinc/07/56/80/1169075680.db2.gz DHUGYHAXOSMMGQ-UHFFFAOYSA-N 2 0 172.316 1.847 10 0 ADAERP CC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 37109514 1169076558 /nfs/dbraw/zinc/07/65/58/1169076558.db2.gz ZZFYFRYVCUOLND-DTWKUNHWSA-N 2 0 158.289 1.312 10 0 ADAERP c1coc(CC[NH2+]C2CC[NH2+]CC2)c1 38040850 1169077602 /nfs/dbraw/zinc/07/76/02/1169077602.db2.gz SNGQWMMSUMNDJP-UHFFFAOYSA-N 2 0 194.278 1.164 10 0 ADAERP CC[C@H]([NH3+])C[N@H+](C)CC1CC1 37925739 1169078095 /nfs/dbraw/zinc/07/80/95/1169078095.db2.gz MURPWTJAXCVJPV-VIFPVBQESA-N 2 0 156.273 1.066 10 0 ADAERP CCC(C)(C)[NH2+]C1CC[NH2+]CC1 38040468 1169078679 /nfs/dbraw/zinc/07/86/79/1169078679.db2.gz UQOSSMPXHYHMKM-UHFFFAOYSA-N 2 0 170.300 1.517 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1CCCC[NH3+] 37913201 1169079153 /nfs/dbraw/zinc/07/91/53/1169079153.db2.gz XBQRJAIWEJIHPQ-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CC(C)(C)[NH2+]C1CC[NH2+]CC1 38040457 1169079883 /nfs/dbraw/zinc/07/98/83/1169079883.db2.gz LBURSXFVLVLMIH-UHFFFAOYSA-N 2 0 156.273 1.127 10 0 ADAERP C[N@H+](CCCC[NH3+])CC1CC1 37925073 1169080051 /nfs/dbraw/zinc/08/00/51/1169080051.db2.gz UGWMUIGBXFDZTQ-UHFFFAOYSA-N 2 0 156.273 1.067 10 0 ADAERP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccco1 54345878 1169094129 /nfs/dbraw/zinc/09/41/29/1169094129.db2.gz YYGHSSPRYOIIBK-NXEZZACHSA-N 2 0 196.294 1.395 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@H](C)Cc1ccco1 54345872 1169097220 /nfs/dbraw/zinc/09/72/20/1169097220.db2.gz YYGHSSPRYOIIBK-VHSXEESVSA-N 2 0 196.294 1.395 10 0 ADAERP C[C@@H](Cc1ccco1)[NH2+]C[C@H](C)C[NH3+] 54345875 1169095837 /nfs/dbraw/zinc/09/58/37/1169095837.db2.gz YYGHSSPRYOIIBK-ZJUUUORDSA-N 2 0 196.294 1.395 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccco1 54345870 1169096383 /nfs/dbraw/zinc/09/63/83/1169096383.db2.gz YYGHSSPRYOIIBK-UWVGGRQHSA-N 2 0 196.294 1.395 10 0 ADAERP C[N@H+](CCCC[NH3+])CC1CCC1 61454894 1169098286 /nfs/dbraw/zinc/09/82/86/1169098286.db2.gz VGTRNWXGYRZPSZ-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP C[N@H+](CC1CCC1)CC1CC[NH2+]CC1 61458201 1169099244 /nfs/dbraw/zinc/09/92/44/1169099244.db2.gz LJAXUIJWILLYNK-UHFFFAOYSA-N 2 0 196.338 1.718 10 0 ADAERP C[NH+]1CCC(Oc2ccncc2)CC1 60313549 1169099789 /nfs/dbraw/zinc/09/97/89/1169099789.db2.gz MSGQWRDFNTVERT-UHFFFAOYSA-N 2 0 192.262 1.555 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH+]2CCCC2)C1 79553325 1169102505 /nfs/dbraw/zinc/10/25/05/1169102505.db2.gz FEJFAOFAZQWLNH-NSHDSACASA-N 2 0 182.311 1.424 10 0 ADAERP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC2)C1 79553328 1169103844 /nfs/dbraw/zinc/10/38/44/1169103844.db2.gz FEJFAOFAZQWLNH-LLVKDONJSA-N 2 0 182.311 1.424 10 0 ADAERP CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 81216350 1169107752 /nfs/dbraw/zinc/10/77/52/1169107752.db2.gz OGIQZLBPKRNYDK-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[N@@H+]1CCC[C@H]([NH3+])CC1 83421200 1169111974 /nfs/dbraw/zinc/11/19/74/1169111974.db2.gz DYYYBVFLTRHINY-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP CCC[N@@H+]1CCC[C@@H]([NH3+])CC1 83421212 1169112208 /nfs/dbraw/zinc/11/22/08/1169112208.db2.gz DYYYBVFLTRHINY-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86401617 1169121808 /nfs/dbraw/zinc/12/18/08/1169121808.db2.gz PMHLRPDSXUHYSL-KXUCPTDWSA-N 2 0 170.300 1.644 10 0 ADAERP C[N@H+](C1CC[NH2+]CC1)C(C)(C)C 84443052 1169119818 /nfs/dbraw/zinc/11/98/18/1169119818.db2.gz ZBCAUCJDRMMZEV-UHFFFAOYSA-N 2 0 170.300 1.469 10 0 ADAERP CC1(C)CC[N@H+](CCCC[NH3+])C1 87232789 1169123784 /nfs/dbraw/zinc/12/37/84/1169123784.db2.gz YXDMFDZPPWSXCI-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CC[C@H](C)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233998429 673913945 /nfs/dbraw/zinc/91/39/45/673913945.db2.gz WJUWSSQMBHNWGT-TUAOUCFPSA-N 2 0 198.354 1.820 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@H](C)C[C@H]1[NH3+] 757216875 673917441 /nfs/dbraw/zinc/91/74/41/673917441.db2.gz QRVAUUIARHPEAO-BBBLOLIVSA-N 2 0 170.300 1.358 10 0 ADAERP CC(C)C[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[NH2+]1 757211190 673917254 /nfs/dbraw/zinc/91/72/54/673917254.db2.gz GZSTZSPDENHXME-KXUCPTDWSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@H]1C[C@H](C2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 757218595 673917260 /nfs/dbraw/zinc/91/72/60/673917260.db2.gz VEIKJYGNAREEPR-PEGIJTEDSA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@H](C)C[C@@H]1[NH3+] 757216877 673917275 /nfs/dbraw/zinc/91/72/75/673917275.db2.gz QRVAUUIARHPEAO-UTLUCORTSA-N 2 0 170.300 1.358 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@@H](C)C[C@H]1[NH3+] 757216874 673917287 /nfs/dbraw/zinc/91/72/87/673917287.db2.gz QRVAUUIARHPEAO-AEJSXWLSSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([C@H]2CCC[NH2+]C2)C1 757217804 673917303 /nfs/dbraw/zinc/91/73/03/673917303.db2.gz SNHBWZFMLDYOIE-GARJFASQSA-N 2 0 182.311 1.232 10 0 ADAERP CCCC[C@H]1CC[C@@H](C[NH3+])C[NH2+]1 757213263 673917305 /nfs/dbraw/zinc/91/73/05/673917305.db2.gz JBBZYIRSSPCFIJ-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)C[C@@H]1CC[C@H]([NH3+])[C@H](C)[NH2+]1 757211189 673917323 /nfs/dbraw/zinc/91/73/23/673917323.db2.gz GZSTZSPDENHXME-GUBZILKMSA-N 2 0 170.300 1.500 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@H]1C[NH3+] 757215144 673917333 /nfs/dbraw/zinc/91/73/33/673917333.db2.gz MPOCORCYUYZBMY-VWYCJHECSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]1CCC[C@@H](C2CC[NH2+]CC2)[NH2+]1 757217829 673917359 /nfs/dbraw/zinc/91/73/59/673917359.db2.gz STMURBVYZJWAKN-ONGXEEELSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]1CC(C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 757218596 673917399 /nfs/dbraw/zinc/91/73/99/673917399.db2.gz VEIKJYGNAREEPR-UWVGGRQHSA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 757216031 673917426 /nfs/dbraw/zinc/91/74/26/673917426.db2.gz ONESYVYXEPGSQM-UWVGGRQHSA-N 2 0 170.300 1.217 10 0 ADAERP C[C@@H]1CC(C2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 757218594 673917437 /nfs/dbraw/zinc/91/74/37/673917437.db2.gz VEIKJYGNAREEPR-NXEZZACHSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1CCC[C@H](C2CC[NH2+]CC2)[NH2+]1 757217826 673917484 /nfs/dbraw/zinc/91/74/84/673917484.db2.gz STMURBVYZJWAKN-GXSJLCMTSA-N 2 0 182.311 1.517 10 0 ADAERP CCCC[C@@H]1CC[C@H](C[NH3+])C[NH2+]1 757213262 673917485 /nfs/dbraw/zinc/91/74/85/673917485.db2.gz JBBZYIRSSPCFIJ-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCC[NH2+]C2)C1 757217802 673917489 /nfs/dbraw/zinc/91/74/89/673917489.db2.gz SNHBWZFMLDYOIE-AXFHLTTASA-N 2 0 182.311 1.232 10 0 ADAERP CCCC[C@@H]1[NH2+]CC[C@H](C)[C@H]1[NH3+] 757213316 673917534 /nfs/dbraw/zinc/91/75/34/673917534.db2.gz JGXXSGRFZIIANF-LPEHRKFASA-N 2 0 170.300 1.502 10 0 ADAERP CCCC[C@H]1CC[C@H](C[NH3+])C[NH2+]1 757213271 673917544 /nfs/dbraw/zinc/91/75/44/673917544.db2.gz JBBZYIRSSPCFIJ-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]([C@H]2CCC[NH2+]C2)C1 757217803 673917548 /nfs/dbraw/zinc/91/75/48/673917548.db2.gz SNHBWZFMLDYOIE-DCAQKATOSA-N 2 0 182.311 1.232 10 0 ADAERP CC(C)C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 757216034 673917455 /nfs/dbraw/zinc/91/74/55/673917455.db2.gz ONESYVYXEPGSQM-ZJUUUORDSA-N 2 0 170.300 1.217 10 0 ADAERP CC(C)C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 757216033 673917558 /nfs/dbraw/zinc/91/75/58/673917558.db2.gz ONESYVYXEPGSQM-VHSXEESVSA-N 2 0 170.300 1.217 10 0 ADAERP C[C@@H]1CCC[C@@H](C2CC[NH2+]CC2)[NH2+]1 757217827 673917587 /nfs/dbraw/zinc/91/75/87/673917587.db2.gz STMURBVYZJWAKN-KOLCDFICSA-N 2 0 182.311 1.517 10 0 ADAERP CCCC[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] 757213315 673917615 /nfs/dbraw/zinc/91/76/15/673917615.db2.gz JGXXSGRFZIIANF-KXUCPTDWSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1[NH3+] 757216876 673917621 /nfs/dbraw/zinc/91/76/21/673917621.db2.gz QRVAUUIARHPEAO-GUBZILKMSA-N 2 0 170.300 1.358 10 0 ADAERP CCCC[C@@H]1CC[C@@H](C[NH3+])C[NH2+]1 757213265 673917642 /nfs/dbraw/zinc/91/76/42/673917642.db2.gz JBBZYIRSSPCFIJ-VHSXEESVSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]1CCC[C@H](C2CC[NH2+]CC2)[NH2+]1 757217828 673917674 /nfs/dbraw/zinc/91/76/74/673917674.db2.gz STMURBVYZJWAKN-MWLCHTKSSA-N 2 0 182.311 1.517 10 0 ADAERP CC(C)C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 757216029 673917692 /nfs/dbraw/zinc/91/76/92/673917692.db2.gz ONESYVYXEPGSQM-NXEZZACHSA-N 2 0 170.300 1.217 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([C@@H]2CCC[NH2+]C2)C1 757217805 673917704 /nfs/dbraw/zinc/91/77/04/673917704.db2.gz SNHBWZFMLDYOIE-HBNTYKKESA-N 2 0 182.311 1.232 10 0 ADAERP CCCC[C@@H]1[NH2+]CC[C@H](C)[C@@H]1[NH3+] 757213313 673917720 /nfs/dbraw/zinc/91/77/20/673917720.db2.gz JGXXSGRFZIIANF-GUBZILKMSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 723115864 673924485 /nfs/dbraw/zinc/92/44/85/673924485.db2.gz PRZYOEJDVGGRNA-VLEAKVRGSA-N 2 0 182.311 1.312 10 0 ADAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 723115866 673924525 /nfs/dbraw/zinc/92/45/25/673924525.db2.gz PRZYOEJDVGGRNA-ZNSHCXBVSA-N 2 0 182.311 1.312 10 0 ADAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 723115868 673924535 /nfs/dbraw/zinc/92/45/35/673924535.db2.gz PRZYOEJDVGGRNA-ZRUFSTJUSA-N 2 0 182.311 1.312 10 0 ADAERP C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 108373206 1169145418 /nfs/dbraw/zinc/14/54/18/1169145418.db2.gz MEVGOGZUSBCSHF-UHFFFAOYSA-N 2 0 192.306 1.510 10 0 ADAERP CCC[C@@H](C)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 723471647 673928292 /nfs/dbraw/zinc/92/82/92/673928292.db2.gz CWUSSRAGFGDHQF-GMTAPVOTSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 723820381 673933032 /nfs/dbraw/zinc/93/30/32/673933032.db2.gz DAQOCEJWBYWYAD-UTUOFQBUSA-N 2 0 198.354 1.866 10 0 ADAERP C[NH+]1CCC(C[N@@H+](C)C2CC2)CC1 891619652 673933084 /nfs/dbraw/zinc/93/30/84/673933084.db2.gz GZHSSNJBAPYGJZ-UHFFFAOYSA-N 2 0 182.311 1.422 10 0 ADAERP CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 723822418 673933110 /nfs/dbraw/zinc/93/31/10/673933110.db2.gz YSERLVLRKIFUPJ-MXWKQRLJSA-N 2 0 184.327 1.620 10 0 ADAERP C1=CCC(CC[NH2+]C2CC[NH2+]CC2)C1 724188184 673934929 /nfs/dbraw/zinc/93/49/29/673934929.db2.gz XKRZXJXSELLVKW-UHFFFAOYSA-N 2 0 194.322 1.684 10 0 ADAERP C[C@H]([NH2+]CCC1CC=CC1)C1C[NH2+]C1 724204954 673934994 /nfs/dbraw/zinc/93/49/94/673934994.db2.gz KMPOKRLSGOUGAH-JTQLQIEISA-N 2 0 194.322 1.540 10 0 ADAERP C[C@@H]([NH2+]CCC1CC=CC1)C1C[NH2+]C1 724204956 673935019 /nfs/dbraw/zinc/93/50/19/673935019.db2.gz KMPOKRLSGOUGAH-SNVBAGLBSA-N 2 0 194.322 1.540 10 0 ADAERP C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 117004906 1169158052 /nfs/dbraw/zinc/15/80/52/1169158052.db2.gz BJMLGOMCQSZVMY-UHFFFAOYSA-N 2 0 182.311 1.424 10 0 ADAERP C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 117004869 1169158290 /nfs/dbraw/zinc/15/82/90/1169158290.db2.gz YYYIUYFDEQDOAD-JTQLQIEISA-N 2 0 168.284 1.034 10 0 ADAERP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 129371852 673938643 /nfs/dbraw/zinc/93/86/43/673938643.db2.gz KDOJUQNPTKGEHL-USZNOCQGSA-N 2 0 196.338 1.892 10 0 ADAERP C[NH+]1CCCC2(CCC[N@@H+](C)C2)C1 117005258 1169159347 /nfs/dbraw/zinc/15/93/47/1169159347.db2.gz IQVSDUVAXLEVFU-UHFFFAOYSA-N 2 0 182.311 1.424 10 0 ADAERP C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 117004871 1169159480 /nfs/dbraw/zinc/15/94/80/1169159480.db2.gz YYYIUYFDEQDOAD-SNVBAGLBSA-N 2 0 168.284 1.034 10 0 ADAERP CC1CC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 123560085 1169167210 /nfs/dbraw/zinc/16/72/10/1169167210.db2.gz LRCFWGIBEDNRPV-WIFZPCQCSA-N 2 0 182.311 1.502 10 0 ADAERP C[C@H]([NH3+])C[N@H+](C)CCCC(F)(F)F 124260228 1169167297 /nfs/dbraw/zinc/16/72/97/1169167297.db2.gz JMPDGSVPYAGWHI-ZETCQYMHSA-N 2 0 198.232 1.608 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)[C@@H]1CC1(C)C 925783183 673950810 /nfs/dbraw/zinc/95/08/10/673950810.db2.gz ITUIAYMIYGJVFL-CHWFTXMASA-N 2 0 196.338 1.619 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)[C@H]1CC1(C)C 925783185 673950837 /nfs/dbraw/zinc/95/08/37/673950837.db2.gz ITUIAYMIYGJVFL-GWOFURMSSA-N 2 0 196.338 1.619 10 0 ADAERP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC1(C)C 925783187 673950914 /nfs/dbraw/zinc/95/09/14/673950914.db2.gz ITUIAYMIYGJVFL-LMLFDSFASA-N 2 0 196.338 1.619 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)C(C)(C)C 925785072 673950933 /nfs/dbraw/zinc/95/09/33/673950933.db2.gz UXWIGPDLYPDHLZ-OPRDCNLKSA-N 2 0 184.327 1.619 10 0 ADAERP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C 925785052 673951003 /nfs/dbraw/zinc/95/10/03/673951003.db2.gz UXWIGPDLYPDHLZ-KXUCPTDWSA-N 2 0 184.327 1.619 10 0 ADAERP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@@H]1C 925784350 673951114 /nfs/dbraw/zinc/95/11/14/673951114.db2.gz MTTLTGUGJYKISE-MTVMDMGHSA-N 2 0 196.338 1.619 10 0 ADAERP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[C@H]1C 925784348 673951120 /nfs/dbraw/zinc/95/11/20/673951120.db2.gz MTTLTGUGJYKISE-LDMBFOFVSA-N 2 0 196.338 1.619 10 0 ADAERP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC1(C)C 925783188 673951126 /nfs/dbraw/zinc/95/11/26/673951126.db2.gz ITUIAYMIYGJVFL-VPOLOUISSA-N 2 0 196.338 1.619 10 0 ADAERP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[C@H]1C 925784351 673951142 /nfs/dbraw/zinc/95/11/42/673951142.db2.gz MTTLTGUGJYKISE-PZWNZHSQSA-N 2 0 196.338 1.619 10 0 ADAERP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[C@@H]1C 925784346 673951145 /nfs/dbraw/zinc/95/11/45/673951145.db2.gz MTTLTGUGJYKISE-KZZRWZIVSA-N 2 0 196.338 1.619 10 0 ADAERP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 318998176 673952232 /nfs/dbraw/zinc/95/22/32/673952232.db2.gz MEYNFSCXOJEGJD-AXFHLTTASA-N 2 0 184.327 1.748 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1CC1 722505089 673952477 /nfs/dbraw/zinc/95/24/77/673952477.db2.gz XFIXTEYILLVNQI-CKYFFXLPSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 722505091 673952485 /nfs/dbraw/zinc/95/24/85/673952485.db2.gz XFIXTEYILLVNQI-JFGNBEQYSA-N 2 0 196.338 1.620 10 0 ADAERP CC[N@H+](C)CC1CC[NH+](C)CC1 259007676 673954421 /nfs/dbraw/zinc/95/44/21/673954421.db2.gz FXRNTBUEBRJJNU-UHFFFAOYSA-N 2 0 170.300 1.280 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 128868555 1169177868 /nfs/dbraw/zinc/17/78/68/1169177868.db2.gz XMCDUBXERYSHNR-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H](C[NH+](C)C)Nc1cccc(N)[nH+]1 130763624 1169183516 /nfs/dbraw/zinc/18/35/16/1169183516.db2.gz SCQBUHJWLJLPES-MRVPVSSYSA-N 2 0 194.282 1.026 10 0 ADAERP C[C@@H](C[NH+](C)C)Nc1cccc(N)[nH+]1 130763431 1169183642 /nfs/dbraw/zinc/18/36/42/1169183642.db2.gz SCQBUHJWLJLPES-QMMMGPOBSA-N 2 0 194.282 1.026 10 0 ADAERP CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227767351 673969894 /nfs/dbraw/zinc/96/98/94/673969894.db2.gz BEAVIJPJILEVAA-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227768848 673970048 /nfs/dbraw/zinc/97/00/48/673970048.db2.gz WACDQGWGKYNDGM-RYUDHWBXSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227767695 673970117 /nfs/dbraw/zinc/97/01/17/673970117.db2.gz NMXRXSXCEXDCIJ-UWVGGRQHSA-N 2 0 170.300 1.313 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 227767699 673970180 /nfs/dbraw/zinc/97/01/80/673970180.db2.gz NMXRXSXCEXDCIJ-VHSXEESVSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227766119 673970264 /nfs/dbraw/zinc/97/02/64/673970264.db2.gz ITMKRUAOTHZBEU-SRVKXCTJSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)C(F)F 228512020 673970798 /nfs/dbraw/zinc/97/07/98/673970798.db2.gz KZABDUWNGQIHKX-KKMMWDRVSA-N 2 0 192.253 1.500 10 0 ADAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)C(F)F 228512013 673970824 /nfs/dbraw/zinc/97/08/24/673970824.db2.gz KZABDUWNGQIHKX-JECWYVHBSA-N 2 0 192.253 1.500 10 0 ADAERP CSCC[C@H](C)N[C@@H]1CC[NH2+]C1 228875276 673971049 /nfs/dbraw/zinc/97/10/49/673971049.db2.gz DTCSNHHNKJWZOY-DTWKUNHWSA-N 2 0 188.340 1.080 10 0 ADAERP CSCC[C@H](C)N[C@H]1CC[NH2+]C1 228875300 673971074 /nfs/dbraw/zinc/97/10/74/673971074.db2.gz DTCSNHHNKJWZOY-IUCAKERBSA-N 2 0 188.340 1.080 10 0 ADAERP CSCC[C@@H](C)N[C@H]1CC[NH2+]C1 228875289 673971092 /nfs/dbraw/zinc/97/10/92/673971092.db2.gz DTCSNHHNKJWZOY-BDAKNGLRSA-N 2 0 188.340 1.080 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])c1cncs1 229124447 673971611 /nfs/dbraw/zinc/97/16/11/673971611.db2.gz MUHULJVGHCWAQU-ZETCQYMHSA-N 2 0 185.296 1.143 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 84443081 673975923 /nfs/dbraw/zinc/97/59/23/673975923.db2.gz JSSMCKCFSCYVCS-SECBINFHSA-N 2 0 170.300 1.469 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 84443083 673975997 /nfs/dbraw/zinc/97/59/97/673975997.db2.gz JSSMCKCFSCYVCS-VIFPVBQESA-N 2 0 170.300 1.469 10 0 ADAERP CC(C)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702097271 673979118 /nfs/dbraw/zinc/97/91/18/673979118.db2.gz KMWPUMUSKVQTEP-NWDGAFQWSA-N 2 0 196.338 1.574 10 0 ADAERP CCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702097745 673979178 /nfs/dbraw/zinc/97/91/78/673979178.db2.gz ZWXZZBNKMQXNPV-NWDGAFQWSA-N 2 0 196.338 1.718 10 0 ADAERP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702096726 673979269 /nfs/dbraw/zinc/97/92/69/673979269.db2.gz FBMOYMGRJXQGSY-SDDRHHMPSA-N 2 0 196.338 1.574 10 0 ADAERP CCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702092519 673979303 /nfs/dbraw/zinc/97/93/03/673979303.db2.gz JKAPVUAJGKDQAF-WDEREUQCSA-N 2 0 182.311 1.328 10 0 ADAERP C[NH+](C)C1CC([NH2+]C2CCCC2)C1 701478088 673979381 /nfs/dbraw/zinc/97/93/81/673979381.db2.gz IPYWOXMMNPGMEK-UHFFFAOYSA-N 2 0 182.311 1.611 10 0 ADAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CCC1)C2 702097969 673979385 /nfs/dbraw/zinc/97/93/85/673979385.db2.gz XDQHCBHBTJPAJD-NWDGAFQWSA-N 2 0 194.322 1.328 10 0 ADAERP CC[N@H+](C)C1CCN(C)CC1 139689534 1169200428 /nfs/dbraw/zinc/20/04/28/1169200428.db2.gz GRSHYEFHVZIEAO-UHFFFAOYSA-N 2 0 156.273 1.032 10 0 ADAERP C[C@@H](CF)[NH2+]CC1CC[NH+](C)CC1 702610970 673981251 /nfs/dbraw/zinc/98/12/51/673981251.db2.gz JSMWGLWFUMXFLB-VIFPVBQESA-N 2 0 188.290 1.276 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@H]3C2)C1 703616666 673983150 /nfs/dbraw/zinc/98/31/50/673983150.db2.gz PPBKTXXJDMDZRU-HUVAQWKNSA-N 2 0 194.322 1.456 10 0 ADAERP C[C@@H]1CCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 703295045 673982489 /nfs/dbraw/zinc/98/24/89/673982489.db2.gz ZRHDNVPYDHTXQR-UTUOFQBUSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1CCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 703295042 673982584 /nfs/dbraw/zinc/98/25/84/673982584.db2.gz ZRHDNVPYDHTXQR-SDDRHHMPSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 703617690 673983003 /nfs/dbraw/zinc/98/30/03/673983003.db2.gz VYPKRYNENLRGEV-KKOKHZNYSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 703584083 673983027 /nfs/dbraw/zinc/98/30/27/673983027.db2.gz PMETWASRXIDVDF-WISYIIOYSA-N 2 0 194.322 1.184 10 0 ADAERP 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CC(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 708727441 673992164 /nfs/dbraw/zinc/99/21/64/673992164.db2.gz XTALVOYNSXZNBJ-VWYCJHECSA-N 2 0 184.327 1.476 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 708720066 673992179 /nfs/dbraw/zinc/99/21/79/673992179.db2.gz DAQOCEJWBYWYAD-WOPDTQHZSA-N 2 0 198.354 1.866 10 0 ADAERP C[C@@H]1[C@H]([NH2+]C2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350126 673992660 /nfs/dbraw/zinc/99/26/60/673992660.db2.gz KERXXUNZPIMUMY-CPOMMVLXSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@H]1[C@@H]([NH2+]C2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350127 673992929 /nfs/dbraw/zinc/99/29/29/673992929.db2.gz KERXXUNZPIMUMY-DQDDRIPDSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@H]1[C@H]([NH2+]C2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350122 673993212 /nfs/dbraw/zinc/99/32/12/673993212.db2.gz KERXXUNZPIMUMY-APHKKCJPSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@@H]1[C@@H]([NH2+]C2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350124 673993218 /nfs/dbraw/zinc/99/32/18/673993218.db2.gz KERXXUNZPIMUMY-BBHBSTQDSA-N 2 0 180.295 1.267 10 0 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LTPXKNVAYKYMBP-OPRDCNLKSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC[C@H]1C 721903765 674078240 /nfs/dbraw/zinc/07/82/40/674078240.db2.gz LPOJMRBNILGGDQ-DDHJBXDOSA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 721904764 674078306 /nfs/dbraw/zinc/07/83/06/674078306.db2.gz RLVQGIPJXLBQNV-OPRDCNLKSA-N 2 0 170.300 1.228 10 0 ADAERP C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C 721903767 674078432 /nfs/dbraw/zinc/07/84/32/674078432.db2.gz LPOJMRBNILGGDQ-WHOHXGKFSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@H](C)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C 722534935 674079019 /nfs/dbraw/zinc/07/90/19/674079019.db2.gz LQUPOHWCMBMCGR-QJPTWQEYSA-N 2 0 198.354 1.868 10 0 ADAERP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C1 723135385 674079089 /nfs/dbraw/zinc/07/90/89/674079089.db2.gz BZPUJIDGQFMGFR-USZNOCQGSA-N 2 0 196.338 1.559 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1C[C@H]1C 722537470 674079118 /nfs/dbraw/zinc/07/91/18/674079118.db2.gz DNMLDPOYDFZOIS-DDHJBXDOSA-N 2 0 196.338 1.478 10 0 ADAERP CC(C)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C 722533837 674079150 /nfs/dbraw/zinc/07/91/50/674079150.db2.gz HCYUBLNICYMWGD-GHMZBOCLSA-N 2 0 184.327 1.478 10 0 ADAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 723135388 674079193 /nfs/dbraw/zinc/07/91/93/674079193.db2.gz BZPUJIDGQFMGFR-WHOHXGKFSA-N 2 0 196.338 1.559 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1C[C@H]1C 722537472 674079307 /nfs/dbraw/zinc/07/93/07/674079307.db2.gz DNMLDPOYDFZOIS-KKOKHZNYSA-N 2 0 196.338 1.478 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1C[C@@H]1C 722537473 674079415 /nfs/dbraw/zinc/07/94/15/674079415.db2.gz DNMLDPOYDFZOIS-QCNOEVLYSA-N 2 0 196.338 1.478 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1(C)CC1 722535648 674079450 /nfs/dbraw/zinc/07/94/50/674079450.db2.gz PDECSUTXSXBTAB-GHMZBOCLSA-N 2 0 196.338 1.622 10 0 ADAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 723135389 674079458 /nfs/dbraw/zinc/07/94/58/674079458.db2.gz BZPUJIDGQFMGFR-WYUUTHIRSA-N 2 0 196.338 1.559 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1C[C@@H]1C 722537471 674079463 /nfs/dbraw/zinc/07/94/63/674079463.db2.gz DNMLDPOYDFZOIS-IRCOFANPSA-N 2 0 196.338 1.478 10 0 ADAERP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CC[NH3+] 723887714 674079693 /nfs/dbraw/zinc/07/96/93/674079693.db2.gz WTLJBDBXGOWLBY-ZYHUDNBSSA-N 2 0 196.338 1.703 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1CC1 722536019 674079756 /nfs/dbraw/zinc/07/97/56/674079756.db2.gz QHLQXXZXJKCIIL-MWLCHTKSSA-N 2 0 182.311 1.232 10 0 ADAERP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 723830022 674079909 /nfs/dbraw/zinc/07/99/09/674079909.db2.gz XTALVOYNSXZNBJ-MXWKQRLJSA-N 2 0 184.327 1.476 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 202177988 1169305423 /nfs/dbraw/zinc/30/54/23/1169305423.db2.gz RCUWREBYAICZIK-LBPRGKRZSA-N 2 0 196.338 1.814 10 0 ADAERP CC[NH+](CC)C[C@H]1CCCN(C)C1 201893027 1169306185 /nfs/dbraw/zinc/30/61/85/1169306185.db2.gz BYAOQJQZVGGVFL-NSHDSACASA-N 2 0 184.327 1.670 10 0 ADAERP C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 202178015 1169306289 /nfs/dbraw/zinc/30/62/89/1169306289.db2.gz RCUWREBYAICZIK-GFCCVEGCSA-N 2 0 196.338 1.814 10 0 ADAERP CC[NH+](CC)C[C@@H]1CCCN(C)C1 201892989 1169306928 /nfs/dbraw/zinc/30/69/28/1169306928.db2.gz BYAOQJQZVGGVFL-LLVKDONJSA-N 2 0 184.327 1.670 10 0 ADAERP C[NH2+]CCNc1cc(C)[nH+]c(C)c1 202369819 1169309253 /nfs/dbraw/zinc/30/92/53/1169309253.db2.gz BZZFBZNARLDGFP-UHFFFAOYSA-N 2 0 179.267 1.330 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 203824373 1169311433 /nfs/dbraw/zinc/31/14/33/1169311433.db2.gz UOOWYAYZWVKWNG-RYUDHWBXSA-N 2 0 196.338 1.813 10 0 ADAERP CC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 203824365 1169311663 /nfs/dbraw/zinc/31/16/63/1169311663.db2.gz UOOWYAYZWVKWNG-NEPJUHHUSA-N 2 0 196.338 1.813 10 0 ADAERP CC(C)CN1CC[C@]2(CCCC[NH2+]2)C1 211344760 1169326319 /nfs/dbraw/zinc/32/63/19/1169326319.db2.gz LZCSAUKVWHUXCL-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 208837598 1169324154 /nfs/dbraw/zinc/32/41/54/1169324154.db2.gz LRYQADKSTLWINM-QWRGUYRKSA-N 2 0 182.311 1.280 10 0 ADAERP CCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 208837557 1169324434 /nfs/dbraw/zinc/32/44/34/1169324434.db2.gz LRYQADKSTLWINM-GHMZBOCLSA-N 2 0 182.311 1.280 10 0 ADAERP C1C[NH2+]C[C@@]2(C1)CCC[N@H+]2CC1CC1 211348689 1169325612 /nfs/dbraw/zinc/32/56/12/1169325612.db2.gz FDBUPWRAVLQADR-GFCCVEGCSA-N 2 0 194.322 1.614 10 0 ADAERP CCCN1CCCC[C@@]12CC[NH2+]C2 211343949 1169326112 /nfs/dbraw/zinc/32/61/12/1169326112.db2.gz PREDIIJGFWFALU-NSHDSACASA-N 2 0 182.311 1.614 10 0 ADAERP CCN1CC[C@]2(CCCC[NH2+]2)C1 211344423 1169326627 /nfs/dbraw/zinc/32/66/27/1169326627.db2.gz ONGXZUXSIZNRGJ-SNVBAGLBSA-N 2 0 168.284 1.224 10 0 ADAERP C1CC[C@@]2(CCN(CC3CC3)C2)[NH2+]C1 211345064 1169326694 /nfs/dbraw/zinc/32/66/94/1169326694.db2.gz SEJAGZNODWTQGE-LBPRGKRZSA-N 2 0 194.322 1.614 10 0 ADAERP CC(C)CN1CC[C@@]2(CCCC[NH2+]2)C1 211344825 1169326898 /nfs/dbraw/zinc/32/68/98/1169326898.db2.gz LZCSAUKVWHUXCL-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP CCN1CCCC[C@@]12CC[NH2+]C2 211344265 1169327126 /nfs/dbraw/zinc/32/71/26/1169327126.db2.gz DBCCAJGQZGXNOS-JTQLQIEISA-N 2 0 168.284 1.224 10 0 ADAERP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]cc2)C1 211518513 1169327211 /nfs/dbraw/zinc/32/72/11/1169327211.db2.gz JLCJVSHDZVZAJV-ONGXEEELSA-N 2 0 191.278 1.763 10 0 ADAERP CCN1CCCC[C@]12CC[NH2+]C2 211344324 1169327331 /nfs/dbraw/zinc/32/73/31/1169327331.db2.gz DBCCAJGQZGXNOS-SNVBAGLBSA-N 2 0 168.284 1.224 10 0 ADAERP CCCN1CC[C@@]2(CCCC[NH2+]2)C1 211344177 1169327411 /nfs/dbraw/zinc/32/74/11/1169327411.db2.gz OCGRNXCBXIQUCF-NSHDSACASA-N 2 0 182.311 1.614 10 0 ADAERP CCCN1CCCC[C@]12CC[NH2+]C2 211344016 1169327654 /nfs/dbraw/zinc/32/76/54/1169327654.db2.gz PREDIIJGFWFALU-LLVKDONJSA-N 2 0 182.311 1.614 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]cc2)C1 211518599 1169327732 /nfs/dbraw/zinc/32/77/32/1169327732.db2.gz JLCJVSHDZVZAJV-MWLCHTKSSA-N 2 0 191.278 1.763 10 0 ADAERP C1CC[C@]2(CC[NH2+]C2)[N@H+](CC2CC2)C1 211344984 1169327806 /nfs/dbraw/zinc/32/78/06/1169327806.db2.gz KQQOMJPWFKTWSO-GFCCVEGCSA-N 2 0 194.322 1.614 10 0 ADAERP CC(C)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 211344589 1169327858 /nfs/dbraw/zinc/32/78/58/1169327858.db2.gz YHAIZKUYQBGHIZ-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP C1CC[C@@]2(CC[NH2+]C2)[N@H+](CC2CC2)C1 211344919 1169328186 /nfs/dbraw/zinc/32/81/86/1169328186.db2.gz KQQOMJPWFKTWSO-LBPRGKRZSA-N 2 0 194.322 1.614 10 0 ADAERP CC(C)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 211344655 1169328364 /nfs/dbraw/zinc/32/83/64/1169328364.db2.gz YHAIZKUYQBGHIZ-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP C1CC[C@]2(CCN(CC3CC3)C2)[NH2+]C1 211345132 1169328452 /nfs/dbraw/zinc/32/84/52/1169328452.db2.gz SEJAGZNODWTQGE-GFCCVEGCSA-N 2 0 194.322 1.614 10 0 ADAERP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]cc2)C1 211518438 1169328550 /nfs/dbraw/zinc/32/85/50/1169328550.db2.gz JLCJVSHDZVZAJV-GXSJLCMTSA-N 2 0 191.278 1.763 10 0 ADAERP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]cc2)C1 211518663 1169328590 /nfs/dbraw/zinc/32/85/90/1169328590.db2.gz JLCJVSHDZVZAJV-KOLCDFICSA-N 2 0 191.278 1.763 10 0 ADAERP CCCN1CC[C@]2(CCCC[NH2+]2)C1 211344100 1169329096 /nfs/dbraw/zinc/32/90/96/1169329096.db2.gz OCGRNXCBXIQUCF-LLVKDONJSA-N 2 0 182.311 1.614 10 0 ADAERP CCN1CC[C@@]2(CCCC[NH2+]2)C1 211344496 1169329303 /nfs/dbraw/zinc/32/93/03/1169329303.db2.gz ONGXZUXSIZNRGJ-JTQLQIEISA-N 2 0 168.284 1.224 10 0 ADAERP CC(C)C[N@@H+]1CCCC[C@H](C[NH3+])C1 213155962 1169333479 /nfs/dbraw/zinc/33/34/79/1169333479.db2.gz QQKJSFSZLRPBAJ-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 213156021 1169334313 /nfs/dbraw/zinc/33/43/13/1169334313.db2.gz QQKJSFSZLRPBAJ-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP CCCCC[N@@H+]1CC[C@](C)([NH3+])C1 218809546 1169340655 /nfs/dbraw/zinc/34/06/55/1169340655.db2.gz QDWNAYOCBYWWDJ-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CC(C)CC[N@@H+]1CC[C@@](C)([NH3+])C1 218809268 1169340876 /nfs/dbraw/zinc/34/08/76/1169340876.db2.gz DJKRGLLCVCARDS-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)CC[N@@H+]1CC[C@](C)([NH3+])C1 218809337 1169341997 /nfs/dbraw/zinc/34/19/97/1169341997.db2.gz DJKRGLLCVCARDS-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CCCCC[N@@H+]1CC[C@@](C)([NH3+])C1 218809462 1169343233 /nfs/dbraw/zinc/34/32/33/1169343233.db2.gz QDWNAYOCBYWWDJ-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CCSC[C@H](C)[NH2+]C1CC([NH3+])C1 219447996 1169344656 /nfs/dbraw/zinc/34/46/56/1169344656.db2.gz JNRBOROZISOEHX-UEJVZZJDSA-N 2 0 188.340 1.207 10 0 ADAERP CCSC[C@@H](C)[NH2+]C1CC([NH3+])C1 219447911 1169346085 /nfs/dbraw/zinc/34/60/85/1169346085.db2.gz JNRBOROZISOEHX-AFPNSQJFSA-N 2 0 188.340 1.207 10 0 ADAERP C[N@@H+]1CCC[C@H]([NH2+]CC2(C)CC2)CC1 222190507 1169357067 /nfs/dbraw/zinc/35/70/67/1169357067.db2.gz WJKDMOVJQOAKOP-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C)CC2)CC1 222190446 1169358762 /nfs/dbraw/zinc/35/87/62/1169358762.db2.gz WJKDMOVJQOAKOP-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222875558 1169359490 /nfs/dbraw/zinc/35/94/90/1169359490.db2.gz PMHLRPDSXUHYSL-OPRDCNLKSA-N 2 0 170.300 1.644 10 0 ADAERP CCC[C@@H](CC)[N@@H+]1CC[C@@H](N)C1 224504901 1169364329 /nfs/dbraw/zinc/36/43/29/1169364329.db2.gz UEUUDQVNRSKSCN-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@H](CC)[N@@H+]1CC[C@@H](N)C1 224504948 1169365439 /nfs/dbraw/zinc/36/54/39/1169365439.db2.gz UEUUDQVNRSKSCN-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]1CC[N@@H+](C2CC[NH2+]CC2)[C@@H](C)C1 225725763 1169372047 /nfs/dbraw/zinc/37/20/47/1169372047.db2.gz QUAZAMGVYPOELE-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1C[C@H](C)CC[N@@H+]1CCCC[NH3+] 225692166 1169372110 /nfs/dbraw/zinc/37/21/10/1169372110.db2.gz VMWXHOUBIRIJAK-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1CC[N@H+](CCCC[NH3+])[C@@H](C)C1 225692183 1169372278 /nfs/dbraw/zinc/37/22/78/1169372278.db2.gz VMWXHOUBIRIJAK-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1C[C@H](C)CC[N@H+]1C1CC[NH2+]CC1 225725734 1169372602 /nfs/dbraw/zinc/37/26/02/1169372602.db2.gz QUAZAMGVYPOELE-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 228727406 1169381344 /nfs/dbraw/zinc/38/13/44/1169381344.db2.gz XQOHDHVXNWURAQ-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@H+](C(C)C)[C@@H]1CC[NH2+][C@@H](C)C1 229541092 1169385308 /nfs/dbraw/zinc/38/53/08/1169385308.db2.gz JIWOXIHWWIXXMA-WDEREUQCSA-N 2 0 184.327 1.857 10 0 ADAERP CC[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229541406 1169385426 /nfs/dbraw/zinc/38/54/26/1169385426.db2.gz VKBHRRGLNATLLI-GARJFASQSA-N 2 0 184.327 1.857 10 0 ADAERP CC(C)C[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229541366 1169385721 /nfs/dbraw/zinc/38/57/21/1169385721.db2.gz ZVYONEPMBINKIA-QWRGUYRKSA-N 2 0 184.327 1.715 10 0 ADAERP CC[N@H+](C(C)C)[C@H]1CC[NH2+][C@@H](C)C1 229541107 1169386787 /nfs/dbraw/zinc/38/67/87/1169386787.db2.gz JIWOXIHWWIXXMA-QWRGUYRKSA-N 2 0 184.327 1.857 10 0 ADAERP CCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229538247 1169387026 /nfs/dbraw/zinc/38/70/26/1169387026.db2.gz AJBYMELMMQRCPP-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP C1C[NH2+]C[C@@H]([N@H+]2C[C@H]3CCC[C@H]3C2)C1 229249239 1169387325 /nfs/dbraw/zinc/38/73/25/1169387325.db2.gz BVYXNKFGALWOLK-TUAOUCFPSA-N 2 0 194.322 1.470 10 0 ADAERP CC(C)C[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229541357 1169387758 /nfs/dbraw/zinc/38/77/58/1169387758.db2.gz ZVYONEPMBINKIA-WDEREUQCSA-N 2 0 184.327 1.715 10 0 ADAERP CCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229538237 1169389363 /nfs/dbraw/zinc/38/93/63/1169389363.db2.gz AJBYMELMMQRCPP-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 229550926 1169390732 /nfs/dbraw/zinc/39/07/32/1169390732.db2.gz LAJPLSAQZVJUKD-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@H]([N@@H+]2CCC(C)(C)C2)CC[NH2+]1 229549763 1169390946 /nfs/dbraw/zinc/39/09/46/1169390946.db2.gz HCHCEWZNXYSJQL-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP 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ADAERP CC(C)(C)C[C@H]1CC[NH2+]C[C@H]1[NH3+] 213981288 571697357 /nfs/dbraw/zinc/69/73/57/571697357.db2.gz UOHSZGXBAIKHLH-RKDXNWHRSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 70619675 571697368 /nfs/dbraw/zinc/69/73/68/571697368.db2.gz HYFKWRSBAHQXSI-NXEZZACHSA-N 2 0 170.300 1.517 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH2+]Cc1ccco1 393382638 571697526 /nfs/dbraw/zinc/69/75/26/571697526.db2.gz KQMDIIZPPJDJOC-JTQLQIEISA-N 2 0 196.294 1.744 10 0 ADAERP CC(C)CC[C@H]1CC[NH2+]C[C@@H]1[NH3+] 213981425 571697559 /nfs/dbraw/zinc/69/75/59/571697559.db2.gz DRARLLXHUGPFNU-UWVGGRQHSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620331 571697657 /nfs/dbraw/zinc/69/76/57/571697657.db2.gz OKUCIHDAFAORJX-GCHJQGSQSA-N 2 0 196.338 1.748 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620336 571697671 /nfs/dbraw/zinc/69/76/71/571697671.db2.gz YTHXNLZWXNYASR-RHYQMDGZSA-N 2 0 196.338 1.605 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]1 70619911 571697730 /nfs/dbraw/zinc/69/77/30/571697730.db2.gz SWFUZYUUAWKLEV-GHMZBOCLSA-N 2 0 184.327 1.764 10 0 ADAERP C[C@@]1(C[NH2+]CC2CC2)CCC[NH2+]1 70619688 571697786 /nfs/dbraw/zinc/69/77/86/571697786.db2.gz FGUHPDWCMSMWDW-JTQLQIEISA-N 2 0 168.284 1.128 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@]12CC[C@H]2C 712099756 571697821 /nfs/dbraw/zinc/69/78/21/571697821.db2.gz DWBMDWMMBBZQFX-NOOOWODRSA-N 2 0 196.338 1.987 10 0 ADAERP CC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 70619674 571697871 /nfs/dbraw/zinc/69/78/71/571697871.db2.gz HYFKWRSBAHQXSI-UWVGGRQHSA-N 2 0 170.300 1.517 10 0 ADAERP CC[C@H](C)C[C@H]1[C@H]([NH3+])CC[N@@H+]1CC 712097852 571697899 /nfs/dbraw/zinc/69/78/99/571697899.db2.gz YIOWDWLUHXECHT-AXFHLTTASA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)C[NH2+]C[C@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620335 571697986 /nfs/dbraw/zinc/69/79/86/571697986.db2.gz YTHXNLZWXNYASR-KXNHARMFSA-N 2 0 196.338 1.605 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620329 571698077 /nfs/dbraw/zinc/69/80/77/571698077.db2.gz OKUCIHDAFAORJX-ZIQFBCGOSA-N 2 0 196.338 1.748 10 0 ADAERP CCCC[NH2+]C[C@]1(C)CCC[NH2+]1 70619691 571698100 /nfs/dbraw/zinc/69/81/00/571698100.db2.gz DYLHTUPKZYPOSR-JTQLQIEISA-N 2 0 170.300 1.518 10 0 ADAERP CC(C)[NH2+]C[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620326 571698201 /nfs/dbraw/zinc/69/82/01/571698201.db2.gz BVXAEEIDGRLVOR-RCWTZXSCSA-N 2 0 182.311 1.358 10 0 ADAERP CC(C)C[NH2+]C[C@]1(C)CCC[NH2+]1 70619679 571698248 /nfs/dbraw/zinc/69/82/48/571698248.db2.gz BOGXFKUKNDDXNQ-JTQLQIEISA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@]12CC[C@@H]2C 712099754 571698256 /nfs/dbraw/zinc/69/82/56/571698256.db2.gz DWBMDWMMBBZQFX-FIQHERPVSA-N 2 0 196.338 1.987 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 70619673 571698295 /nfs/dbraw/zinc/69/82/95/571698295.db2.gz HYFKWRSBAHQXSI-ZJUUUORDSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)[NH2+]C[C@@H](C)N1CCCCC1 38028610 571698368 /nfs/dbraw/zinc/69/83/68/571698368.db2.gz IFBXWEJPTRSJTF-LLVKDONJSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]1 70619909 571698434 /nfs/dbraw/zinc/69/84/34/571698434.db2.gz SWFUZYUUAWKLEV-MNOVXSKESA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@]1(C)CCC[NH2+]1 70619699 571698512 /nfs/dbraw/zinc/69/85/12/571698512.db2.gz JGLBBWIUEJYGDZ-LLVKDONJSA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)C[NH2+]C[C@@]1(C)CCC[NH2+]1 70619680 571698783 /nfs/dbraw/zinc/69/87/83/571698783.db2.gz BOGXFKUKNDDXNQ-SNVBAGLBSA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]1 70619910 571698864 /nfs/dbraw/zinc/69/88/64/571698864.db2.gz SWFUZYUUAWKLEV-QWRGUYRKSA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)[NH2+]C[C@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620325 571699017 /nfs/dbraw/zinc/69/90/17/571699017.db2.gz BVXAEEIDGRLVOR-YTWAJWBKSA-N 2 0 182.311 1.358 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1CCC(C)C 712102012 571699029 /nfs/dbraw/zinc/69/90/29/571699029.db2.gz KCJBYQMPNJSBGQ-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)(C)C[C@@H]1CC[NH2+]C[C@H]1[NH3+] 213981240 571699075 /nfs/dbraw/zinc/69/90/75/571699075.db2.gz UOHSZGXBAIKHLH-DTWKUNHWSA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)(C)C[NH2+]C[C@]1(C)CCC[NH2+]1 70619700 571699089 /nfs/dbraw/zinc/69/90/89/571699089.db2.gz JGLBBWIUEJYGDZ-NSHDSACASA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 70619676 571699174 /nfs/dbraw/zinc/69/91/74/571699174.db2.gz HYFKWRSBAHQXSI-VHSXEESVSA-N 2 0 170.300 1.517 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CC[C@H]2C 712099758 571699186 /nfs/dbraw/zinc/69/91/86/571699186.db2.gz DWBMDWMMBBZQFX-RHYQMDGZSA-N 2 0 196.338 1.987 10 0 ADAERP CCC1([C@H]2[C@@H]([NH3+])CC[N@@H+]2C2CC2)CC1 712099199 571699226 /nfs/dbraw/zinc/69/92/26/571699226.db2.gz CHEYXNNELXMNRB-WDEREUQCSA-N 2 0 194.322 1.741 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620330 571699267 /nfs/dbraw/zinc/69/92/67/571699267.db2.gz OKUCIHDAFAORJX-MJDLHHQISA-N 2 0 196.338 1.748 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+]C1CC1 393384936 571699306 /nfs/dbraw/zinc/69/93/06/571699306.db2.gz MIXFHBHEXWPIDD-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP CCCC[NH2+]C[C@@]1(C)CCC[NH2+]1 70619692 571699385 /nfs/dbraw/zinc/69/93/85/571699385.db2.gz DYLHTUPKZYPOSR-SNVBAGLBSA-N 2 0 170.300 1.518 10 0 ADAERP CC(C)(C)C[C@H]1CC[NH2+]C[C@@H]1[NH3+] 213981187 571699395 /nfs/dbraw/zinc/69/93/95/571699395.db2.gz UOHSZGXBAIKHLH-BDAKNGLRSA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)C[N@H+](C)CCC1([NH3+])CC1 213981049 571699327 /nfs/dbraw/zinc/69/93/27/571699327.db2.gz SHUAHHUJXZKQCA-UHFFFAOYSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)(C)C[C@@H]1CC[NH2+]C[C@@H]1[NH3+] 213981125 571699478 /nfs/dbraw/zinc/69/94/78/571699478.db2.gz UOHSZGXBAIKHLH-IUCAKERBSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@]1(C[NH2+]CC2CC2)CCC[NH2+]1 70619687 571699690 /nfs/dbraw/zinc/69/96/90/571699690.db2.gz FGUHPDWCMSMWDW-SNVBAGLBSA-N 2 0 168.284 1.128 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620332 571699780 /nfs/dbraw/zinc/69/97/80/571699780.db2.gz OKUCIHDAFAORJX-OSUNSFLBSA-N 2 0 196.338 1.748 10 0 ADAERP CC(C)CC[C@@H]1CC[NH2+]C[C@H]1[NH3+] 213981478 571699827 /nfs/dbraw/zinc/69/98/27/571699827.db2.gz DRARLLXHUGPFNU-NXEZZACHSA-N 2 0 170.300 1.359 10 0 ADAERP CCCCCC[NH2+]C1CC[NH2+]CC1 38040716 571699833 /nfs/dbraw/zinc/69/98/33/571699833.db2.gz KEGRMUSCFZFSTQ-UHFFFAOYSA-N 2 0 184.327 1.908 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@]12CCCC2(C)C 712123556 571700475 /nfs/dbraw/zinc/70/04/75/571700475.db2.gz PTHMJDFDPYQHBS-ONGXEEELSA-N 2 0 182.311 1.598 10 0 ADAERP CCC[N@@H+]1CC[C@H]([C@@H]([NH3+])CC)C1 250052107 571701273 /nfs/dbraw/zinc/70/12/73/571701273.db2.gz WHGCHOQXOPETDI-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[N@@H+]1[C@H]2CC[C@@H]1CC([C@@H]1CC[NH2+]C1)C2 70627705 571703658 /nfs/dbraw/zinc/70/36/58/571703658.db2.gz IIEGHUKHQDSITA-WAAKLRNESA-N 2 0 194.322 1.469 10 0 ADAERP 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250052110 571702525 /nfs/dbraw/zinc/70/25/25/571702525.db2.gz WHGCHOQXOPETDI-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C1(C)CCCCC1 712120506 571702688 /nfs/dbraw/zinc/70/26/88/571702688.db2.gz JPHTWIRHODICTK-WDEREUQCSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[N@@H+]1CCC[C@H]([C@@H]([NH3+])CC)C1 250065146 571702752 /nfs/dbraw/zinc/70/27/52/571702752.db2.gz YCHXAEPBSOTEBK-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H]1C[C@@H]1C[NH2+]CC[C@@H](C)CC[NH3+] 393385495 571702778 /nfs/dbraw/zinc/70/27/78/571702778.db2.gz MZSMEBQKFNGPOV-QJPTWQEYSA-N 2 0 198.354 1.997 10 0 ADAERP CCC[N@@H+]1CCC[C@@H]([C@@H]([NH3+])CC)C1 250065144 571702873 /nfs/dbraw/zinc/70/28/73/571702873.db2.gz YCHXAEPBSOTEBK-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@H]1C1(C)CCCCC1 712120504 571702969 /nfs/dbraw/zinc/70/29/69/571702969.db2.gz JPHTWIRHODICTK-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H]([NH2+]C)[C@H]1CCCC[N@H+](C)C1 214032177 571703006 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ADAERP C[NH2+]C[C@@H](C)[C@@H]1CCCCC[N@@H+]1C 214034162 571705678 /nfs/dbraw/zinc/70/56/78/571705678.db2.gz MQOHVOPJIDURFV-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)[C@H]([NH3+])[C@H]1CCC[N@H+](C)CC1 214035752 571707090 /nfs/dbraw/zinc/70/70/90/571707090.db2.gz JQHMJBQBWLYISR-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+]C[C@@H](C)[C@@H]1CCCC[N@H+](C)C1 214032871 571705699 /nfs/dbraw/zinc/70/56/99/571705699.db2.gz RRFUELOUUHIVNU-GHMZBOCLSA-N 2 0 184.327 1.574 10 0 ADAERP CC[C@H](C[NH2+]C)C1CC[NH+](C)CC1 214036563 571705876 /nfs/dbraw/zinc/70/58/76/571705876.db2.gz QYEUSAFUQNMCDX-SNVBAGLBSA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@H]1CC[N@H+](C)C1 214037552 571705768 /nfs/dbraw/zinc/70/57/68/571705768.db2.gz XBKKOMBUIWGDOY-WDEREUQCSA-N 2 0 184.327 1.430 10 0 ADAERP CC[C@@H](CC[NH3+])[C@@H]1CCCC[N@@H+]1C 214034373 571705822 /nfs/dbraw/zinc/70/58/22/571705822.db2.gz GPLHBZDBBMZWRT-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)[C@H](CC[NH3+])[C@H]1CC[N@H+](C)C1 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10 0 ADAERP CCCC[N@H+](C)[C@H](C)CC(N)=[NH2+] 108279753 571708718 /nfs/dbraw/zinc/70/87/18/571708718.db2.gz PJWZXTHHKUROSB-MRVPVSSYSA-N 2 0 171.288 1.433 10 0 ADAERP Cc1ncc([C@H](O)CC[NH3+])n1C(C)C 214053725 571708848 /nfs/dbraw/zinc/70/88/48/571708848.db2.gz PTJQEXMPOUGNAJ-SNVBAGLBSA-N 2 0 197.282 1.155 10 0 ADAERP Cc1ncc([C@H](O)[C@H](C)[NH3+])n1C(C)C 214053586 571708907 /nfs/dbraw/zinc/70/89/07/571708907.db2.gz AYKQTKFEEKJTBQ-OIBJUYFYSA-N 2 0 197.282 1.153 10 0 ADAERP [NH3+]C1(CC[NH2+]CCCC2CC2)CC1 398068588 571708984 /nfs/dbraw/zinc/70/89/84/571708984.db2.gz KSELPKKKNCERDW-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP C[C@H]([NH2+]CCCC[NH3+])c1nccs1 70634561 571708996 /nfs/dbraw/zinc/70/89/96/571708996.db2.gz PGMUUOIIJCISGP-QMMMGPOBSA-N 2 0 199.323 1.533 10 0 ADAERP CCC[C@H]1[C@H]([NH3+])CC[N@@H+]1CC 22943680 571709111 /nfs/dbraw/zinc/70/91/11/571709111.db2.gz PHQCPBIUGJMVFV-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP Cc1ncc([C@@H](O)[C@H](C)[NH3+])n1C(C)C 214053646 571709148 /nfs/dbraw/zinc/70/91/48/571709148.db2.gz AYKQTKFEEKJTBQ-XVKPBYJWSA-N 2 0 197.282 1.153 10 0 ADAERP Cc1ncc([C@H](O)[C@@H](C)[NH3+])n1C(C)C 214053465 571709593 /nfs/dbraw/zinc/70/95/93/571709593.db2.gz AYKQTKFEEKJTBQ-GMSGAONNSA-N 2 0 197.282 1.153 10 0 ADAERP Cc1ncc([C@@H]([NH3+])CCO)n1C(C)C 214053926 571709632 /nfs/dbraw/zinc/70/96/32/571709632.db2.gz PTFITMDJIVKZTA-VIFPVBQESA-N 2 0 197.282 1.155 10 0 ADAERP C1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 70632837 571709638 /nfs/dbraw/zinc/70/96/38/571709638.db2.gz GEGRPQNRLGNVMH-UMNHJUIQSA-N 2 0 194.322 1.517 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1[C@@H]1CC1(C)C 712139788 571710194 /nfs/dbraw/zinc/71/01/94/571710194.db2.gz YOSBGBFBLWCDEL-LPEHRKFASA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+]C1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 70632936 571710333 /nfs/dbraw/zinc/71/03/33/571710333.db2.gz JTBQFVWERYPAGZ-UMNHJUIQSA-N 2 0 194.322 1.598 10 0 ADAERP Cc1ncc([C@H]([NH3+])CCO)n1C(C)C 214053867 571710335 /nfs/dbraw/zinc/71/03/35/571710335.db2.gz PTFITMDJIVKZTA-SECBINFHSA-N 2 0 197.282 1.155 10 0 ADAERP C1CC([NH2+][C@H]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 70632836 571710787 /nfs/dbraw/zinc/71/07/87/571710787.db2.gz GEGRPQNRLGNVMH-SCVCMEIPSA-N 2 0 194.322 1.517 10 0 ADAERP C[C@@H]([NH2+]CCCC[NH3+])c1nccs1 70634562 571710876 /nfs/dbraw/zinc/71/08/76/571710876.db2.gz PGMUUOIIJCISGP-MRVPVSSYSA-N 2 0 199.323 1.533 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CC1(C)C 235267052 571711149 /nfs/dbraw/zinc/71/11/49/571711149.db2.gz TYSHYOFYOIFDNM-VWYCJHECSA-N 2 0 196.338 1.478 10 0 ADAERP C/C=C\CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 388438294 571711240 /nfs/dbraw/zinc/71/12/40/571711240.db2.gz BWVYZRVLYHKJAK-WZQADMAKSA-N 2 0 182.311 1.622 10 0 ADAERP CC[C@@H]([NH3+])CCCc1c[nH+]ccc1N 70638234 571712556 /nfs/dbraw/zinc/71/25/56/571712556.db2.gz OUDQPLAWYGYYAN-SNVBAGLBSA-N 2 0 193.294 1.724 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CC1(C)C 235267331 571711374 /nfs/dbraw/zinc/71/13/74/571711374.db2.gz TYSHYOFYOIFDNM-OUAUKWLOSA-N 2 0 196.338 1.478 10 0 ADAERP C/C=C\CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 388438293 571711378 /nfs/dbraw/zinc/71/13/78/571711378.db2.gz BWVYZRVLYHKJAK-CJOPTALJSA-N 2 0 182.311 1.622 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1[C@H]1CC1(C)C 712139790 571711597 /nfs/dbraw/zinc/71/15/97/571711597.db2.gz YOSBGBFBLWCDEL-UTLUCORTSA-N 2 0 182.311 1.454 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1[C@@H]1CC1(C)C 712139781 571711870 /nfs/dbraw/zinc/71/18/70/571711870.db2.gz YOSBGBFBLWCDEL-GUBZILKMSA-N 2 0 182.311 1.454 10 0 ADAERP CC[NH2+]CCCc1cc(C)c[nH+]c1N 70639231 571712213 /nfs/dbraw/zinc/71/22/13/571712213.db2.gz TWQKCVOWCQGUMR-UHFFFAOYSA-N 2 0 193.294 1.514 10 0 ADAERP CS[C@H]1CCC[C@H]1[NH2+]CCC[NH3+] 235261874 571712255 /nfs/dbraw/zinc/71/22/55/571712255.db2.gz ZCMDCPOEFAFLIE-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP Nc1cc[nH+]cc1CC[C@@H]([NH3+])C1CC1 70638692 571712266 /nfs/dbraw/zinc/71/22/66/571712266.db2.gz AZJAFZZLGXCPRT-SNVBAGLBSA-N 2 0 191.278 1.334 10 0 ADAERP CCCC1([C@@H]2[C@H]([NH3+])CC[N@@H+]2CC)CC1 712140379 571712297 /nfs/dbraw/zinc/71/22/97/571712297.db2.gz ZWFALBKSHWFZRH-MNOVXSKESA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](CC1CC1)C1CC1 70635730 571712305 /nfs/dbraw/zinc/71/23/05/571712305.db2.gz ZKAIHOYXMTYRHV-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]([NH3+])CCc1c[nH+]ccc1N 70637538 571713483 /nfs/dbraw/zinc/71/34/83/571713483.db2.gz LDURFNWMASASPA-SNVBAGLBSA-N 2 0 193.294 1.724 10 0 ADAERP CC[C@H]([NH3+])CCCc1cc[nH+]c(N)c1 70638075 571712443 /nfs/dbraw/zinc/71/24/43/571712443.db2.gz GOYXDQXDBRYIRL-JTQLQIEISA-N 2 0 193.294 1.724 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](CC1CC1)C1CC1 70635279 571712449 /nfs/dbraw/zinc/71/24/49/571712449.db2.gz NYOACOCBUXZDRI-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+]CC[C@H](C)[N@H+](CC1CC1)C1CC1 70636034 571712469 /nfs/dbraw/zinc/71/24/69/571712469.db2.gz KJXYFVGKSIWAAP-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]([NH3+])CCc1cc(C)c[nH+]c1N 70638204 571712488 /nfs/dbraw/zinc/71/24/88/571712488.db2.gz QUOAJXADHLGEPB-SNVBAGLBSA-N 2 0 193.294 1.642 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](CC1CC1)C1CC1 70635526 571713491 /nfs/dbraw/zinc/71/34/91/571713491.db2.gz DKTPPFXDKZGLIV-JTQLQIEISA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H](C[NH3+])C[N@H+](CC1CC1)C1CC1 70635296 571712530 /nfs/dbraw/zinc/71/25/30/571712530.db2.gz SHMCQBPKSNTXKL-VIFPVBQESA-N 2 0 182.311 1.456 10 0 ADAERP [NH3+]CCCC[N@H+](CC1CC1)C1CC1 70635290 571712559 /nfs/dbraw/zinc/71/25/59/571712559.db2.gz COQLKQYPHFMNGB-UHFFFAOYSA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)[C@@H]([NH3+])C[N@H+](CC1CC1)C1CC1 70635823 571712564 /nfs/dbraw/zinc/71/25/64/571712564.db2.gz WRHNECPGSNALMO-LBPRGKRZSA-N 2 0 196.338 1.844 10 0 ADAERP CC[C@@H]([NH3+])CCCc1cc[nH+]c(N)c1 70638076 571712585 /nfs/dbraw/zinc/71/25/85/571712585.db2.gz GOYXDQXDBRYIRL-SNVBAGLBSA-N 2 0 193.294 1.724 10 0 ADAERP C[C@@H]([NH3+])CCCc1cc[nH+]c(N)c1 70636233 571712661 /nfs/dbraw/zinc/71/26/61/571712661.db2.gz KOFKNVJGOKREOD-MRVPVSSYSA-N 2 0 179.267 1.334 10 0 ADAERP CC(C)[C@H]([NH3+])CCc1c[nH+]ccc1N 70638425 571713622 /nfs/dbraw/zinc/71/36/22/571713622.db2.gz SSLBZLASOFNLOZ-SNVBAGLBSA-N 2 0 193.294 1.580 10 0 ADAERP CC[C@@H]([NH3+])CCc1c[nH+]ccc1N 70638192 571712750 /nfs/dbraw/zinc/71/27/50/571712750.db2.gz GVUOICPSIOVFBP-SECBINFHSA-N 2 0 179.267 1.334 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](CC1CC1)C1CC1 70635298 571712802 /nfs/dbraw/zinc/71/28/02/571712802.db2.gz SHMCQBPKSNTXKL-SECBINFHSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]([NH3+])CCCc1cc[nH+]c(N)c1 70636231 571712839 /nfs/dbraw/zinc/71/28/39/571712839.db2.gz KOFKNVJGOKREOD-QMMMGPOBSA-N 2 0 179.267 1.334 10 0 ADAERP C[C@H](CCC[NH3+])[N@H+](CC1CC1)C1CC1 70636095 571712878 /nfs/dbraw/zinc/71/28/78/571712878.db2.gz SDPFLLCZSUVIFJ-SNVBAGLBSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+]CC[C@@H](C)[N@H+](CC1CC1)C1CC1 70636035 571712935 /nfs/dbraw/zinc/71/29/35/571712935.db2.gz KJXYFVGKSIWAAP-SNVBAGLBSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]([NH3+])CCCc1c[nH+]ccc1N 70636370 571713050 /nfs/dbraw/zinc/71/30/50/571713050.db2.gz SJMJAGHYYVLKQB-MRVPVSSYSA-N 2 0 179.267 1.334 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1[C@H]1CC1(C)C 712139785 571713043 /nfs/dbraw/zinc/71/30/43/571713043.db2.gz YOSBGBFBLWCDEL-KXUCPTDWSA-N 2 0 182.311 1.454 10 0 ADAERP C[NH2+]CCCc1c(C)cc[nH+]c1N 70639137 571713068 /nfs/dbraw/zinc/71/30/68/571713068.db2.gz DTMCVIUPMWXUAD-UHFFFAOYSA-N 2 0 179.267 1.124 10 0 ADAERP CC[NH2+]CCCCc1cc[nH+]c(N)c1 70639199 571713116 /nfs/dbraw/zinc/71/31/16/571713116.db2.gz XDJXMYLJACAHRG-UHFFFAOYSA-N 2 0 193.294 1.596 10 0 ADAERP [NH3+]CCCCC[N@H+](CC1CC1)C1CC1 70635287 571713181 /nfs/dbraw/zinc/71/31/81/571713181.db2.gz ULNGKBNNSSIYBG-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@H]([NH3+])CCCc1c[nH+]ccc1N 70636367 571713179 /nfs/dbraw/zinc/71/31/79/571713179.db2.gz SJMJAGHYYVLKQB-QMMMGPOBSA-N 2 0 179.267 1.334 10 0 ADAERP CC[NH2+]CCC[N@@H+]1CCC2(CC2)C1 400001825 571713235 /nfs/dbraw/zinc/71/32/35/571713235.db2.gz OHKLYRGZDOUTLH-UHFFFAOYSA-N 2 0 182.311 1.472 10 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/nfs/dbraw/zinc/71/36/70/571713670.db2.gz OUDQPLAWYGYYAN-JTQLQIEISA-N 2 0 193.294 1.724 10 0 ADAERP CC[C@H]([NH3+])CCc1cc(C)c[nH+]c1N 70638201 571713763 /nfs/dbraw/zinc/71/37/63/571713763.db2.gz QUOAJXADHLGEPB-JTQLQIEISA-N 2 0 193.294 1.642 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](CC1CC1)C1CC1 70635444 571713775 /nfs/dbraw/zinc/71/37/75/571713775.db2.gz KXQMAKKKLVOIFE-SECBINFHSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@H]([NH3+])C[N@H+](CC1CC1)C1CC1 70635821 571713891 /nfs/dbraw/zinc/71/38/91/571713891.db2.gz WRHNECPGSNALMO-GFCCVEGCSA-N 2 0 196.338 1.844 10 0 ADAERP CCC[NH2+]CCCc1c[nH+]ccc1N 70639288 571713852 /nfs/dbraw/zinc/71/38/52/571713852.db2.gz VCXSCYBCUOZLQB-UHFFFAOYSA-N 2 0 193.294 1.596 10 0 ADAERP CC[C@H]([NH3+])CCc1c(C)cc[nH+]c1N 70638159 571714009 /nfs/dbraw/zinc/71/40/09/571714009.db2.gz ATEFEZHIDXBGSF-VIFPVBQESA-N 2 0 193.294 1.642 10 0 ADAERP CC[C@@H]([NH3+])CCc1c(C)cc[nH+]c1N 70638162 571714014 /nfs/dbraw/zinc/71/40/14/571714014.db2.gz ATEFEZHIDXBGSF-SECBINFHSA-N 2 0 193.294 1.642 10 0 ADAERP CC(C)(C[NH3+])C[N@H+](CC1CC1)C1CC1 70636013 571714043 /nfs/dbraw/zinc/71/40/43/571714043.db2.gz HCEDSLQDUNQVSS-UHFFFAOYSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H](CC[NH3+])[N@H+](CC1CC1)C1CC1 70635282 571714059 /nfs/dbraw/zinc/71/40/59/571714059.db2.gz NYOACOCBUXZDRI-LLVKDONJSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1(C)CC1 235266182 571714060 /nfs/dbraw/zinc/71/40/60/571714060.db2.gz NDLGQNUEBQKSJV-ZJUUUORDSA-N 2 0 182.311 1.232 10 0 ADAERP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+]2CCCC2)C1 23067004 571714089 /nfs/dbraw/zinc/71/40/89/571714089.db2.gz JHSGSZANGSLLSE-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@H]([NH3+])CCc1c[nH+]ccc1N 70638189 571714193 /nfs/dbraw/zinc/71/41/93/571714193.db2.gz GVUOICPSIOVFBP-VIFPVBQESA-N 2 0 179.267 1.334 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](CC1CC1)C1CC1 70635442 571714243 /nfs/dbraw/zinc/71/42/43/571714243.db2.gz KXQMAKKKLVOIFE-VIFPVBQESA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+]CCC[N@H+](CC1CC1)C1CC1 70635683 571714252 /nfs/dbraw/zinc/71/42/52/571714252.db2.gz NHGNNRWBAAPSOP-UHFFFAOYSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+]CCCCc1cc[nH+]c(N)c1 70639092 571714315 /nfs/dbraw/zinc/71/43/15/571714315.db2.gz XXJHANIJJIOUKI-UHFFFAOYSA-N 2 0 179.267 1.206 10 0 ADAERP CC[NH2+]CCCCc1c[nH+]ccc1N 70639243 571714377 /nfs/dbraw/zinc/71/43/77/571714377.db2.gz WPGDTBYRMHZMPI-UHFFFAOYSA-N 2 0 193.294 1.596 10 0 ADAERP C[NH2+]CCCc1cc(C)c[nH+]c1N 70639160 571714407 /nfs/dbraw/zinc/71/44/07/571714407.db2.gz UBCUJXIGJNNZFW-UHFFFAOYSA-N 2 0 179.267 1.124 10 0 ADAERP CC[NH2+]CCCc1c(C)cc[nH+]c1N 70639224 571714438 /nfs/dbraw/zinc/71/44/38/571714438.db2.gz KBCOEULVUQVYQC-UHFFFAOYSA-N 2 0 193.294 1.514 10 0 ADAERP Nc1cc[nH+]cc1CC[C@H]([NH3+])C1CC1 70638689 571714441 /nfs/dbraw/zinc/71/44/41/571714441.db2.gz AZJAFZZLGXCPRT-JTQLQIEISA-N 2 0 191.278 1.334 10 0 ADAERP CCCC1([C@H]2[C@@H]([NH3+])CC[N@@H+]2CC)CC1 712140382 571714466 /nfs/dbraw/zinc/71/44/66/571714466.db2.gz ZWFALBKSHWFZRH-WDEREUQCSA-N 2 0 196.338 1.988 10 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70639738 571714972 /nfs/dbraw/zinc/71/49/72/571714972.db2.gz NTWWNDSWWOKTFE-VIFPVBQESA-N 2 0 193.294 1.513 10 0 ADAERP C[NH2+][C@H](C)CCCc1cc[nH+]c(N)c1 70639663 571714996 /nfs/dbraw/zinc/71/49/96/571714996.db2.gz FDXBSXBQTXRBCA-SECBINFHSA-N 2 0 193.294 1.594 10 0 ADAERP C[NH2+][C@H](C)CCc1c(C)cc[nH+]c1N 70639715 571715033 /nfs/dbraw/zinc/71/50/33/571715033.db2.gz QYEVWVACPRBJNV-SECBINFHSA-N 2 0 193.294 1.513 10 0 ADAERP CC[NH2+][C@@H](C)CCc1c[nH+]ccc1N 70639881 571715162 /nfs/dbraw/zinc/71/51/62/571715162.db2.gz MPNFPRFTSMHLNN-VIFPVBQESA-N 2 0 193.294 1.594 10 0 ADAERP CC(C)[NH2+]CCCc1c[nH+]ccc1N 70639344 571715177 /nfs/dbraw/zinc/71/51/77/571715177.db2.gz PIRJWGQQNXGIEG-UHFFFAOYSA-N 2 0 193.294 1.594 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)C2CC2)C1 37159234 571715285 /nfs/dbraw/zinc/71/52/85/571715285.db2.gz AEQQBFNAWLOBBD-JFGNBEQYSA-N 2 0 196.338 1.844 10 0 ADAERP C[NH2+][C@@H](C)CCc1c(C)cc[nH+]c1N 70639717 571715334 /nfs/dbraw/zinc/71/53/34/571715334.db2.gz 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37159387 571715920 /nfs/dbraw/zinc/71/59/20/571715920.db2.gz STFSBEKFROHRCJ-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CC1(C)CC1 235277025 571716212 /nfs/dbraw/zinc/71/62/12/571716212.db2.gz SYFWIIFVJPOLAV-VHSXEESVSA-N 2 0 182.311 1.374 10 0 ADAERP C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] 37159244 571716088 /nfs/dbraw/zinc/71/60/88/571716088.db2.gz GHZCEJWGKGLEBA-KOLCDFICSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CC1(C)C 235272795 571716107 /nfs/dbraw/zinc/71/61/07/571716107.db2.gz TYSHYOFYOIFDNM-MXWKQRLJSA-N 2 0 196.338 1.478 10 0 ADAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](C)C)C1 37158287 571716125 /nfs/dbraw/zinc/71/61/25/571716125.db2.gz UWURTGZEOCMXCZ-OUAUKWLOSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@H](C)CCCc1c[nH+]ccc1N 70639770 571716146 /nfs/dbraw/zinc/71/61/46/571716146.db2.gz WDUDDDBFBPOTGG-SECBINFHSA-N 2 0 193.294 1.594 10 0 ADAERP CC[NH2+][C@H](C)CCc1c[nH+]ccc1N 70639883 571716193 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WPQQMGHMTBPSHM-BDAKNGLRSA-N 2 0 156.273 1.079 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])C1 70643365 571717125 /nfs/dbraw/zinc/71/71/25/571717125.db2.gz JMWFJUFJVAMTNH-GHMZBOCLSA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@H]1CC[C@H]([NH2+]CCC[NH3+])C1 70643356 571717673 /nfs/dbraw/zinc/71/76/73/571717673.db2.gz ZTNYNSRTKLQWSE-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1 70643342 571717779 /nfs/dbraw/zinc/71/77/79/571717779.db2.gz ALWQTDWVPFCZOS-SDDRHHMPSA-N 2 0 196.338 1.716 10 0 ADAERP CCC(C)(C)C[NH2+]CCC1([NH3+])CC1 398088499 571720947 /nfs/dbraw/zinc/72/09/47/571720947.db2.gz WHDISFMXNCLTOR-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP CCC[NH2+][C@@H]1CCN(C)[C@H]1C 712155891 571717859 /nfs/dbraw/zinc/71/78/59/571717859.db2.gz WPQQMGHMTBPSHM-DTWKUNHWSA-N 2 0 156.273 1.079 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC1(C)CCC1 235272576 571718061 /nfs/dbraw/zinc/71/80/61/571718061.db2.gz QAVDDVYLEIWLIA-GHMZBOCLSA-N 2 0 196.338 1.622 10 0 ADAERP 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712155893 571718986 /nfs/dbraw/zinc/71/89/86/571718986.db2.gz WPQQMGHMTBPSHM-RKDXNWHRSA-N 2 0 156.273 1.079 10 0 ADAERP CC[C@H]1CC[C@H]([NH2+]CCCC[NH3+])C1 70643364 571718996 /nfs/dbraw/zinc/71/89/96/571718996.db2.gz JMWFJUFJVAMTNH-QWRGUYRKSA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]CCC[NH3+])C1 70643355 571719028 /nfs/dbraw/zinc/71/90/28/571719028.db2.gz ZTNYNSRTKLQWSE-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP CCC[NH2+][C@H]1CCN(C)[C@H]1C 712155892 571719029 /nfs/dbraw/zinc/71/90/29/571719029.db2.gz WPQQMGHMTBPSHM-IUCAKERBSA-N 2 0 156.273 1.079 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])C1 70643363 571719074 /nfs/dbraw/zinc/71/90/74/571719074.db2.gz JMWFJUFJVAMTNH-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP CC[NH2+][C@H]1CCN(C2CC2)[C@@H]1CC 712155104 571719216 /nfs/dbraw/zinc/71/92/16/571719216.db2.gz CMMDYFWSKCVUTQ-WDEREUQCSA-N 2 0 182.311 1.611 10 0 ADAERP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1 70643340 571719316 /nfs/dbraw/zinc/71/93/16/571719316.db2.gz 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2 0 196.338 1.716 10 0 ADAERP C[NH+]1CCC([C@@H](C[NH3+])C2CCC2)CC1 214181067 571727671 /nfs/dbraw/zinc/72/76/71/571727671.db2.gz VYKDLMLWFDVRIN-LBPRGKRZSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@@H+]1CCC[C@H]1[C@@H](C[NH3+])C1CCCC1 214179302 571727712 /nfs/dbraw/zinc/72/77/12/571727712.db2.gz TXYQGTUHXHONLJ-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP C[N@@H+]1CCC[C@@H]1[C@@H](C[NH3+])C1CCCC1 214179246 571727734 /nfs/dbraw/zinc/72/77/34/571727734.db2.gz TXYQGTUHXHONLJ-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+][C@H](C1CC1)[C@@H]1CCCC[N@H+](C)C1 214177064 571727769 /nfs/dbraw/zinc/72/77/69/571727769.db2.gz DEYNYMQWERQKAT-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@H](C[NH3+])C2CCC2)C1 214181628 571727807 /nfs/dbraw/zinc/72/78/07/571727807.db2.gz AUCBDCBXABSFII-RYUDHWBXSA-N 2 0 196.338 1.703 10 0 ADAERP C[NH2+]C[C@@H](C1CC1)[C@@H]1CCC[N@H+](C)C1 214182170 571729764 /nfs/dbraw/zinc/72/97/64/571729764.db2.gz SUWIKQJQUVHKRI-NEPJUHHUSA-N 2 0 196.338 1.574 10 0 ADAERP 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/nfs/dbraw/zinc/73/11/76/571731176.db2.gz SUWIKQJQUVHKRI-RYUDHWBXSA-N 2 0 196.338 1.574 10 0 ADAERP C[NH2+]C[C@H](C1CCCC1)C1C[NH+](C)C1 214183435 571731375 /nfs/dbraw/zinc/73/13/75/571731375.db2.gz GTXWEAKXSXEFSM-GFCCVEGCSA-N 2 0 196.338 1.574 10 0 ADAERP C[NH2+]C[C@H](C1CC1)[C@H]1CCC[N@H+](C)C1 214182342 571731552 /nfs/dbraw/zinc/73/15/52/571731552.db2.gz SUWIKQJQUVHKRI-NWDGAFQWSA-N 2 0 196.338 1.574 10 0 ADAERP C[N@@H+]1CC[C@H]([C@@H](C[NH3+])C2CCCC2)C1 214182418 571731718 /nfs/dbraw/zinc/73/17/18/571731718.db2.gz CCEKSLTZQJJYGZ-RYUDHWBXSA-N 2 0 196.338 1.703 10 0 ADAERP CCC([NH3+])(CC)COCC[NH+](C)C 70877261 571731986 /nfs/dbraw/zinc/73/19/86/571731986.db2.gz OYYINBHOFDSILK-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP CC[NH+](CC)CCOCC(C)(C)[NH3+] 70837438 571732020 /nfs/dbraw/zinc/73/20/20/571732020.db2.gz LNFDSBGEXYKPCH-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP Cc1ncsc1C[NH2+]CC[C@@H](C)[NH3+] 70838117 571732022 /nfs/dbraw/zinc/73/20/22/571732022.db2.gz RKDVSKJNJXWQHO-SSDOTTSWSA-N 2 0 199.323 1.278 10 0 ADAERP C[N@H+](CCC1([NH3+])CC1)CC1CC1 398144344 571732121 /nfs/dbraw/zinc/73/21/21/571732121.db2.gz KTCOHIBPFVGXDZ-UHFFFAOYSA-N 2 0 168.284 1.210 10 0 ADAERP Cc1ncsc1C[NH2+]CC[C@H](C)[NH3+] 70838120 571733845 /nfs/dbraw/zinc/73/38/45/571733845.db2.gz RKDVSKJNJXWQHO-ZETCQYMHSA-N 2 0 199.323 1.278 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+]CC1(C)CC1 393410818 571734476 /nfs/dbraw/zinc/73/44/76/571734476.db2.gz PSIVFVZKXURPAP-SNVBAGLBSA-N 2 0 184.327 1.751 10 0 ADAERP CC[N@H+](C)Cc1ccc(F)cc1C[NH3+] 70849212 571734083 /nfs/dbraw/zinc/73/40/83/571734083.db2.gz NSYYGBWBFSSYHQ-UHFFFAOYSA-N 2 0 196.269 1.736 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+][C@@H](C)C1CC1 398167431 571734241 /nfs/dbraw/zinc/73/42/41/571734241.db2.gz DTMBCTLXNMHHTM-WCABBAIRSA-N 2 0 184.327 1.748 10 0 ADAERP Cc1ncsc1C[NH2+]CCCC[NH3+] 70838026 571734284 /nfs/dbraw/zinc/73/42/84/571734284.db2.gz GMVVWDOICQJXOP-UHFFFAOYSA-N 2 0 199.323 1.280 10 0 ADAERP C[C@@H]1SCC[C@@H]1[N@H+](C)CCC[NH3+] 235297563 571734359 /nfs/dbraw/zinc/73/43/59/571734359.db2.gz QJOBHZYLBIBIGB-IUCAKERBSA-N 2 0 188.340 1.161 10 0 ADAERP CC[C@H](C)C[NH2+]CC[C@H](C)CC[NH3+] 393407755 571734447 /nfs/dbraw/zinc/73/44/47/571734447.db2.gz NKHGCRKRUQBQQT-WDEREUQCSA-N 2 0 186.343 1.997 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]CCC1([NH3+])CC1 398159874 571735460 /nfs/dbraw/zinc/73/54/60/571735460.db2.gz QGFLBIWZOFBXLU-BDAKNGLRSA-N 2 0 168.284 1.113 10 0 ADAERP CCn1cc[nH+]c1N[C@](C)(CC)C[NH3+] 70894668 571735764 /nfs/dbraw/zinc/73/57/64/571735764.db2.gz MXGOPKANVPHXMM-SNVBAGLBSA-N 2 0 196.298 1.442 10 0 ADAERP CC[C@H](C)C[NH2+]CC[C@@H](C)CC[NH3+] 393407749 571735898 /nfs/dbraw/zinc/73/58/98/571735898.db2.gz NKHGCRKRUQBQQT-QWRGUYRKSA-N 2 0 186.343 1.997 10 0 ADAERP CC(C)c1[nH]c2c(c1C[NH3+])C[NH2+]C2 214223045 571736199 /nfs/dbraw/zinc/73/61/99/571736199.db2.gz GYCYFCRNODCVAO-UHFFFAOYSA-N 2 0 179.267 1.200 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+]C1(C)CCC1 393408993 571736364 /nfs/dbraw/zinc/73/63/64/571736364.db2.gz 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214266885 571742479 /nfs/dbraw/zinc/74/24/79/571742479.db2.gz NOZGLHVQZSUQJR-NEPJUHHUSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[C@H](C[NH3+])[C@H]1CCC[N@H+](C)CC1 214266385 571742484 /nfs/dbraw/zinc/74/24/84/571742484.db2.gz NNMYNBYORKCDBZ-RYUDHWBXSA-N 2 0 198.354 1.949 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H]1CCC[N@H+](C)C1 214267671 571742554 /nfs/dbraw/zinc/74/25/54/571742554.db2.gz JAMZYIXOUGIVGZ-VXGBXAGGSA-N 2 0 198.354 1.820 10 0 ADAERP CC[N@H+](CC[C@H](C)CC[NH3+])C1CC1 393416748 571742748 /nfs/dbraw/zinc/74/27/48/571742748.db2.gz TUDVBIFWTVJUQI-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H]1CCCC[N@@H+]1C 214265986 571742893 /nfs/dbraw/zinc/74/28/93/571742893.db2.gz IBOFBHZCSPQJLF-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CC[C@H](C)CC[NH3+] 393416186 571742911 /nfs/dbraw/zinc/74/29/11/571742911.db2.gz SQZIELFHRGIVSN-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H](CC(N)=[NH2+])[N@H+](CC1CC1)C1CC1 70736620 571744998 /nfs/dbraw/zinc/74/49/98/571744998.db2.gz GRRSLZCABHIARG-QMMMGPOBSA-N 2 0 195.310 1.575 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@@H]1CCC[N@H+](C)C1 214267736 571743057 /nfs/dbraw/zinc/74/30/57/571743057.db2.gz JAMZYIXOUGIVGZ-NEPJUHHUSA-N 2 0 198.354 1.820 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CC[C@@H](C)CC[NH3+] 393416190 571743225 /nfs/dbraw/zinc/74/32/25/571743225.db2.gz SQZIELFHRGIVSN-HBNTYKKESA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]([NH2+]C1CC1)[C@H]1CCC[N@H+](C)C1 37208372 571743319 /nfs/dbraw/zinc/74/33/19/571743319.db2.gz VFFNMYXYVIFQCF-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]([NH2+]C1CC1)[C@@H]1CCC[N@H+](C)C1 37208370 571743361 /nfs/dbraw/zinc/74/33/61/571743361.db2.gz VFFNMYXYVIFQCF-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@H+](CC[C@@H](C)CC[NH3+])C1CC1 393416743 571743404 /nfs/dbraw/zinc/74/34/04/571743404.db2.gz TUDVBIFWTVJUQI-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](C)CC[NH3+] 393416184 571743421 /nfs/dbraw/zinc/74/34/21/571743421.db2.gz SQZIELFHRGIVSN-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]1CC[N@@H+](CC[C@H](C)CC[NH3+])C1 393414404 571743795 /nfs/dbraw/zinc/74/37/95/571743795.db2.gz RUVRAUNWFHRSFH-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H](C[N@H+](CC1CC1)C1CC1)C(N)=[NH2+] 70736613 571743985 /nfs/dbraw/zinc/74/39/85/571743985.db2.gz WSLKBBADRTWYTP-QMMMGPOBSA-N 2 0 195.310 1.433 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@H](C)CC[NH3+] 393416192 571744077 /nfs/dbraw/zinc/74/40/77/571744077.db2.gz SQZIELFHRGIVSN-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@@H]1CC[NH2+]C[C@@H]1CC1CCCC1 214316842 571748174 /nfs/dbraw/zinc/74/81/74/571748174.db2.gz HWBXPXJOSZKPPL-WDEREUQCSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@H](C[N@H+](CC1CC1)C1CC1)C(N)=[NH2+] 70736614 571745592 /nfs/dbraw/zinc/74/55/92/571745592.db2.gz WSLKBBADRTWYTP-MRVPVSSYSA-N 2 0 195.310 1.433 10 0 ADAERP C[C@H](CC(N)=[NH2+])[N@H+](CC1CC1)C1CC1 70736623 571746264 /nfs/dbraw/zinc/74/62/64/571746264.db2.gz GRRSLZCABHIARG-MRVPVSSYSA-N 2 0 195.310 1.575 10 0 ADAERP C[NH2+]C[C@@H](C)C[N@H+](CC1CC1)C1CC1 70736864 571746454 /nfs/dbraw/zinc/74/64/54/571746454.db2.gz WTRKYCRGIZWWFS-SNVBAGLBSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)([NH3+])C[NH2+]C1(C2(C)CC2)CC1 398210423 571747179 /nfs/dbraw/zinc/74/71/79/571747179.db2.gz GJKQXPVUOFDRET-UHFFFAOYSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@H](CC[NH3+])CC[N@@H+]1CCC[C@H]1C 393419406 571747261 /nfs/dbraw/zinc/74/72/61/571747261.db2.gz UUILQTDTSDGWHK-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+][C@H]1C[NH2+]C[C@@H]1C1CCCCCC1 214315863 571747298 /nfs/dbraw/zinc/74/72/98/571747298.db2.gz JYGNFWLMXVJVMT-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP C[N@H+](CCC1(C[NH3+])CC1)C1CCC1 214316271 571747350 /nfs/dbraw/zinc/74/73/50/571747350.db2.gz IVHHWXGQUIIVKA-UHFFFAOYSA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+][C@@H]1C[NH2+]C[C@@H]1C1CCCCCC1 214315973 571747382 /nfs/dbraw/zinc/74/73/82/571747382.db2.gz JYGNFWLMXVJVMT-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@H]1CCC[N@H+]1CC[C@H](C)CC[NH3+] 393419407 571747426 /nfs/dbraw/zinc/74/74/26/571747426.db2.gz UUILQTDTSDGWHK-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+][C@H]1C[NH2+]C[C@H]1C1CCCCCC1 214315801 571747444 /nfs/dbraw/zinc/74/74/44/571747444.db2.gz JYGNFWLMXVJVMT-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+][C@@H]1C[NH2+]CC[C@H]1CC1CCCC1 214316555 571747739 /nfs/dbraw/zinc/74/77/39/571747739.db2.gz ZDHHKDDIGCOCIN-WDEREUQCSA-N 2 0 182.311 1.504 10 0 ADAERP c1nc(CCCC[NH+]2CCCC2)c[nH]1 13685863 571747782 /nfs/dbraw/zinc/74/77/82/571747782.db2.gz MFUXHAFVFJVNEU-UHFFFAOYSA-N 2 0 193.294 1.828 10 0 ADAERP [NH3+][C@H]1CC[NH2+]CC[C@@H]1C1CCCC1 214315090 571747868 /nfs/dbraw/zinc/74/78/68/571747868.db2.gz GSGFPOUKQFAMKQ-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C2CCC2)C1 214315742 571748047 /nfs/dbraw/zinc/74/80/47/571748047.db2.gz HGELBIWZJDZEOC-QWRGUYRKSA-N 2 0 182.311 1.313 10 0 ADAERP [NH3+]CC1(CC[NH+]2CCC2)CCCC1 214316115 571748298 /nfs/dbraw/zinc/74/82/98/571748298.db2.gz LVLOGMZFLBXUHD-UHFFFAOYSA-N 2 0 182.311 1.601 10 0 ADAERP [NH3+]C[C@@H]1CC[NH2+]CC[C@@H]1C1CCC1 214314808 571748317 /nfs/dbraw/zinc/74/83/17/571748317.db2.gz OVSYMSGMYJJBPK-WDEREUQCSA-N 2 0 182.311 1.361 10 0 ADAERP CC1CC([NH2+]CC[C@H](C)CC[NH3+])C1 393420517 571748324 /nfs/dbraw/zinc/74/83/24/571748324.db2.gz VGNALQFKFDZQCX-KPPDAEKUSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@H]1CC[NH2+]C[C@H]1CC1CCCC1 214316676 571748345 /nfs/dbraw/zinc/74/83/45/571748345.db2.gz HWBXPXJOSZKPPL-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP C[N@H+]1CC[C@@H](C2CC2)[C@H](C[NH3+])CC1 214314948 571748459 /nfs/dbraw/zinc/74/84/59/571748459.db2.gz WZSMZZLSCUDCIE-QWRGUYRKSA-N 2 0 182.311 1.313 10 0 ADAERP [NH3+][C@H]1CC[NH2+]CC[C@H]1C1CCCC1 214315035 571748542 /nfs/dbraw/zinc/74/85/42/571748542.db2.gz GSGFPOUKQFAMKQ-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+][C@@H]1CC[NH2+]CC[C@H]1C1CCCC1 214315141 571748752 /nfs/dbraw/zinc/74/87/52/571748752.db2.gz GSGFPOUKQFAMKQ-WDEREUQCSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+]C[C@H]1CC[NH2+]CC[C@H]1C1CCC1 214314633 571748761 /nfs/dbraw/zinc/74/87/61/571748761.db2.gz OVSYMSGMYJJBPK-MNOVXSKESA-N 2 0 182.311 1.361 10 0 ADAERP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C[C@H]1C)C1CC1 398216164 571748843 /nfs/dbraw/zinc/74/88/43/571748843.db2.gz USTYEDWVGIJFMZ-SCVCMEIPSA-N 2 0 196.338 1.620 10 0 ADAERP C[N@H+]1CC[C@@H](C2CCC2)[C@H]([NH3+])CC1 214315352 571748895 /nfs/dbraw/zinc/74/88/95/571748895.db2.gz JNLVEXQDHPXBHS-WDEREUQCSA-N 2 0 182.311 1.456 10 0 ADAERP [NH3+][C@H]1C[NH2+]CC[C@@H]1CC1CCCC1 214316498 571748950 /nfs/dbraw/zinc/74/89/50/571748950.db2.gz ZDHHKDDIGCOCIN-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+][C@@H]1CC[NH2+]CC[C@@H]1C1CCCC1 214315205 571749156 /nfs/dbraw/zinc/74/91/56/571749156.db2.gz GSGFPOUKQFAMKQ-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+][C@H]1CC[NH2+]C[C@@H]1CC1CCCC1 214316733 571749189 /nfs/dbraw/zinc/74/91/89/571749189.db2.gz HWBXPXJOSZKPPL-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP C[N@H+](CCC1([NH3+])CC1)C1CCCC1 214316355 571749337 /nfs/dbraw/zinc/74/93/37/571749337.db2.gz KNWDMMRCRAWWLR-UHFFFAOYSA-N 2 0 182.311 1.742 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H](C2CCC2)C1 214315687 571749402 /nfs/dbraw/zinc/74/94/02/571749402.db2.gz HGELBIWZJDZEOC-MNOVXSKESA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C2CCC2)CC1 214315290 571749422 /nfs/dbraw/zinc/74/94/22/571749422.db2.gz JNLVEXQDHPXBHS-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP CCC[NH2+]CCCCc1c[nH]cn1 13685819 571749457 /nfs/dbraw/zinc/74/94/57/571749457.db2.gz HYPICKIQGZNVCT-UHFFFAOYSA-N 2 0 181.283 1.732 10 0 ADAERP [NH3+][C@@H]1CC[NH2+]C[C@H]1CC1CCCC1 214316788 571749552 /nfs/dbraw/zinc/74/95/52/571749552.db2.gz HWBXPXJOSZKPPL-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+][C@@H]1C[NH2+]CC[C@@H]1CC1CCCC1 214316607 571749602 /nfs/dbraw/zinc/74/96/02/571749602.db2.gz ZDHHKDDIGCOCIN-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H](C2CC2)CC1 214314893 571749614 /nfs/dbraw/zinc/74/96/14/571749614.db2.gz WZSMZZLSCUDCIE-MNOVXSKESA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](C(C)(C)C)CC1 214391341 571750448 /nfs/dbraw/zinc/75/04/48/571750448.db2.gz PWNCHDANUKPFLI-UWVGGRQHSA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@H]1CC[N@H+](C)CC[C@@H]1C[NH3+] 214391193 571750491 /nfs/dbraw/zinc/75/04/91/571750491.db2.gz AAOGOFKXALFPPA-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[C@H]1C[N@H+](C)CC[C@@H]1C[NH3+] 214391624 571750530 /nfs/dbraw/zinc/75/05/30/571750530.db2.gz AYYPLYIMRGDFRB-MNOVXSKESA-N 2 0 184.327 1.559 10 0 ADAERP C[C@@H](C[NH2+]C1(C2(C)CC2)CC1)[C@@H](C)[NH3+] 398216857 571750576 /nfs/dbraw/zinc/75/05/76/571750576.db2.gz LOUOSQFAXSBAOT-VHSXEESVSA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)(C)[C@@H]1CC[NH2+]CC[C@H]1C[NH3+] 214390726 571750599 /nfs/dbraw/zinc/75/05/99/571750599.db2.gz YXKXPGRNQQBUNL-VHSXEESVSA-N 2 0 184.327 1.607 10 0 ADAERP CC(C)C[C@@H]1CC[NH2+]CC[C@H]1C[NH3+] 214390986 571750652 /nfs/dbraw/zinc/75/06/52/571750652.db2.gz VFGAEMUWYKKLBN-QWRGUYRKSA-N 2 0 184.327 1.607 10 0 ADAERP CC(C)C[C@@H]1C[N@H+](C)CC[C@@H]1C[NH3+] 214391568 571751005 /nfs/dbraw/zinc/75/10/05/571751005.db2.gz AYYPLYIMRGDFRB-GHMZBOCLSA-N 2 0 184.327 1.559 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@H](C(C)(C)C)CC1 214391282 571750744 /nfs/dbraw/zinc/75/07/44/571750744.db2.gz PWNCHDANUKPFLI-ZJUUUORDSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+][C@@H]1CC[C@H]1C 393424948 571751201 /nfs/dbraw/zinc/75/12/01/571751201.db2.gz XQQSYXOTFOPUOE-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)C[C@H]1CC[NH2+]CC[C@@H]1C[NH3+] 214390928 571751226 /nfs/dbraw/zinc/75/12/26/571751226.db2.gz VFGAEMUWYKKLBN-GHMZBOCLSA-N 2 0 184.327 1.607 10 0 ADAERP [NH3+][C@H]1CC[C@@H](CC[NH2+]CCF)C1 393425423 571753990 /nfs/dbraw/zinc/75/39/90/571753990.db2.gz NLAUCGBBWLKERW-IUCAKERBSA-N 2 0 174.263 1.063 10 0 ADAERP CCC[C@@H]1CC[N@H+](C)CC[C@@H]1C[NH3+] 214391134 571751506 /nfs/dbraw/zinc/75/15/06/571751506.db2.gz AAOGOFKXALFPPA-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H]2CC=C[C@@H]21 34994820 571751514 /nfs/dbraw/zinc/75/15/14/571751514.db2.gz UJXIHUDYRTZSND-SDDRHHMPSA-N 2 0 194.322 1.492 10 0 ADAERP C[N@H+](CCC1(C[NH3+])CC1)C(C)(C)C 214391705 571751623 /nfs/dbraw/zinc/75/16/23/571751623.db2.gz WRHVPIIRRIUJDP-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 34994818 571751676 /nfs/dbraw/zinc/75/16/76/571751676.db2.gz UJXIHUDYRTZSND-GRYCIOLGSA-N 2 0 194.322 1.492 10 0 ADAERP CC(C)C[N@H+](C)CC[C@@H](C)CC[NH3+] 393424262 571751733 /nfs/dbraw/zinc/75/17/33/571751733.db2.gz XFIDEJDYYVHUDU-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CC(C)C[N@H+](C)CCC1(C[NH3+])CC1 214391798 571752021 /nfs/dbraw/zinc/75/20/21/571752021.db2.gz PBBILESUVDWFTN-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)(C)[C@H]1CC[NH2+]CC[C@@H]1C[NH3+] 214390664 571752044 /nfs/dbraw/zinc/75/20/44/571752044.db2.gz YXKXPGRNQQBUNL-ZJUUUORDSA-N 2 0 184.327 1.607 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+]CC[C@H](C)CC[NH3+] 393424956 571754530 /nfs/dbraw/zinc/75/45/30/571754530.db2.gz XQQSYXOTFOPUOE-OUAUKWLOSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)(C)[C@@H]1CC[NH2+]CC[C@@H]1C[NH3+] 214390617 571752232 /nfs/dbraw/zinc/75/22/32/571752232.db2.gz YXKXPGRNQQBUNL-NXEZZACHSA-N 2 0 184.327 1.607 10 0 ADAERP CC(C)C[N@H+](C)CC[C@H](C)CC[NH3+] 393424259 571752241 /nfs/dbraw/zinc/75/22/41/571752241.db2.gz XFIDEJDYYVHUDU-LLVKDONJSA-N 2 0 186.343 1.949 10 0 ADAERP CC(C)C[C@H]1CC[N@H+](C)CC[C@@H]1[NH3+] 214391492 571752381 /nfs/dbraw/zinc/75/23/81/571752381.db2.gz IESPJRXWHYPHMX-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@H]([NH3+])C[N@@H+]1CCC2(CC2)C1 400004903 571754544 /nfs/dbraw/zinc/75/45/44/571754544.db2.gz QNTBYDDOPPGFSV-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)[C@@H]1CC[N@H+](C)CC[C@@H]1C[NH3+] 214390473 571752614 /nfs/dbraw/zinc/75/26/14/571752614.db2.gz FXUWYAFQBKJXOG-MNOVXSKESA-N 2 0 184.327 1.559 10 0 ADAERP C[C@H]1CC[C@@H]1[NH2+]CC[C@H](C)CC[NH3+] 393424959 571752764 /nfs/dbraw/zinc/75/27/64/571752764.db2.gz XQQSYXOTFOPUOE-VWYCJHECSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[C@H]1CC[N@H+](C)CC[C@@H]1C[NH3+] 214390528 571752800 /nfs/dbraw/zinc/75/28/00/571752800.db2.gz FXUWYAFQBKJXOG-GHMZBOCLSA-N 2 0 184.327 1.559 10 0 ADAERP CC(C)(C)[C@H]1CC[NH2+]CC[C@H]1C[NH3+] 214390785 571752869 /nfs/dbraw/zinc/75/28/69/571752869.db2.gz YXKXPGRNQQBUNL-UWVGGRQHSA-N 2 0 184.327 1.607 10 0 ADAERP CC(C)C[C@@H]1CC[NH2+]CC[C@@H]1C[NH3+] 214390872 571752873 /nfs/dbraw/zinc/75/28/73/571752873.db2.gz VFGAEMUWYKKLBN-WDEREUQCSA-N 2 0 184.327 1.607 10 0 ADAERP CCC[C@@H]([NH3+])C[N@@H+]1CCC2(CC2)C1 400004905 571755039 /nfs/dbraw/zinc/75/50/39/571755039.db2.gz QNTBYDDOPPGFSV-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)C[C@H]1CC[NH2+]CC[C@H]1C[NH3+] 214391043 571753391 /nfs/dbraw/zinc/75/33/91/571753391.db2.gz VFGAEMUWYKKLBN-MNOVXSKESA-N 2 0 184.327 1.607 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1C[C@H]2CCCCC[C@@H]21 687895783 571754598 /nfs/dbraw/zinc/75/45/98/571754598.db2.gz SONTWKCFSROKEB-UTUOFQBUSA-N 2 0 196.338 1.846 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]21 712409423 571754049 /nfs/dbraw/zinc/75/40/49/571754049.db2.gz OLDMJAIYNQNLDO-HBNTYKKESA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCC[NH2+]CC1 141330827 571754513 /nfs/dbraw/zinc/75/45/13/571754513.db2.gz BFWLTRVFOGOYDU-SNVBAGLBSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCCCC[C@H]21 687895773 571754815 /nfs/dbraw/zinc/75/48/15/571754815.db2.gz SONTWKCFSROKEB-GRYCIOLGSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1C[C@H]2CCCCC[C@H]21 687895775 571754935 /nfs/dbraw/zinc/75/49/35/571754935.db2.gz SONTWKCFSROKEB-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]C[C@H]1CCN(Cc2ccoc2)C1 70798737 571755028 /nfs/dbraw/zinc/75/50/28/571755028.db2.gz IDZLBVLQZUVGEY-SNVBAGLBSA-N 2 0 194.278 1.321 10 0 ADAERP C[C@H](C[NH2+][C@H](C)CC[NH3+])C1CC1 220544069 571755097 /nfs/dbraw/zinc/75/50/97/571755097.db2.gz UVCQAYMQOVDAGN-RKDXNWHRSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]1C[C@@H](C[NH2+]CC2CC2)CC[NH2+]1 235700898 571755510 /nfs/dbraw/zinc/75/55/10/571755510.db2.gz BSQVOZCKOZISHW-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP C[NH2+][C@H](C[NH2+]C(C)(C)C)C(C)C 70797042 571755526 /nfs/dbraw/zinc/75/55/26/571755526.db2.gz KSKVJZNNPHDIOI-SECBINFHSA-N 2 0 172.316 1.619 10 0 ADAERP C[C@H]1C[C@H](C[NH2+]CC(F)F)CC[NH2+]1 235700666 571755676 /nfs/dbraw/zinc/75/56/76/571755676.db2.gz FJAJVOVSCBGMHB-JGVFFNPUSA-N 2 0 192.253 1.229 10 0 ADAERP C[C@H]1C[C@@H](C[NH2+]CC2(C)CC2)CC[NH2+]1 235700565 571755711 /nfs/dbraw/zinc/75/57/11/571755711.db2.gz FJMMAMXCKMMCRF-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1C[C@H]2CCCC[C@@H]21 712409424 571755898 /nfs/dbraw/zinc/75/58/98/571755898.db2.gz OLDMJAIYNQNLDO-OUAUKWLOSA-N 2 0 182.311 1.504 10 0 ADAERP C/C=C/C[N@H+]1CC[C@H](C[NH2+]C)C1 70799761 571756080 /nfs/dbraw/zinc/75/60/80/571756080.db2.gz IAFRLVGCRMYZOG-HMDXOVGESA-N 2 0 168.284 1.104 10 0 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196.338 1.859 10 0 ADAERP C[C@H]1CCC[C@@H](C)[N@@H+]1CC[C@@H](C)[NH3+] 37401882 571775491 /nfs/dbraw/zinc/77/54/91/571775491.db2.gz IHOHPSYZHSYYHW-MXWKQRLJSA-N 2 0 184.327 1.987 10 0 ADAERP CCc1cncn1[C@@H]1CC[NH2+][C@@H](C)C1 234140137 571769041 /nfs/dbraw/zinc/76/90/41/571769041.db2.gz OGENUWIVDLNZJU-GXSJLCMTSA-N 2 0 193.294 1.759 10 0 ADAERP CCC(=[NH2+])NCC[N@H+](C)C1CCCC1 70946511 571769474 /nfs/dbraw/zinc/76/94/74/571769474.db2.gz YZCLVKGHLQGJPG-UHFFFAOYSA-N 2 0 197.326 1.838 10 0 ADAERP CC(=[NH2+])NCC[N@@H+](C)C1CCCC1 70946508 571769856 /nfs/dbraw/zinc/76/98/56/571769856.db2.gz JMAOIQLXWGEVLH-UHFFFAOYSA-N 2 0 183.299 1.448 10 0 ADAERP C[N@@H+]1CCC[C@@H](CNc2[nH]cc[nH+]2)C1 234346514 571770109 /nfs/dbraw/zinc/77/01/09/571770109.db2.gz HMRMMLOHUIBDEL-VIFPVBQESA-N 2 0 194.282 1.163 10 0 ADAERP CCN(CC(N)=[NH2+])C1CCCC1 38681120 571770259 /nfs/dbraw/zinc/77/02/59/571770259.db2.gz MDXDCSFXDRIJSL-UHFFFAOYSA-N 2 0 169.272 1.187 10 0 ADAERP C[C@H]([NH2+]CCC1([NH3+])CCC1)C1CC1 397996845 571770422 /nfs/dbraw/zinc/77/04/22/571770422.db2.gz LBIFMTIYWUDIGG-VIFPVBQESA-N 2 0 182.311 1.646 10 0 ADAERP C[C@@H]([NH2+]CCC1([NH3+])CCC1)C1CC1 397996844 571770511 /nfs/dbraw/zinc/77/05/11/571770511.db2.gz LBIFMTIYWUDIGG-SECBINFHSA-N 2 0 182.311 1.646 10 0 ADAERP CCC1([NH2+]CC[C@@H](C)[NH3+])CCC1 229505494 571770691 /nfs/dbraw/zinc/77/06/91/571770691.db2.gz PNRXGTOTWNKLAW-SECBINFHSA-N 2 0 170.300 1.646 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCC2(CC2)C1 400006994 571770719 /nfs/dbraw/zinc/77/07/19/571770719.db2.gz SAHHYXLITAHGFR-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP CN1[C@H](c2cccnc2)CC[C@@H]1C[NH3+] 113252340 571770918 /nfs/dbraw/zinc/77/09/18/571770918.db2.gz DRQQKCGUYPHABR-MNOVXSKESA-N 2 0 191.278 1.176 10 0 ADAERP C[NH2+][C@H](CCC[NH3+])C(C)(C)C 18681055 571771209 /nfs/dbraw/zinc/77/12/09/571771209.db2.gz QSZAJMMOHRWESW-MRVPVSSYSA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCC2(CC2)C1 400006995 571771578 /nfs/dbraw/zinc/77/15/78/571771578.db2.gz SAHHYXLITAHGFR-WDEREUQCSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+]1CCC2(CC2)C1 400006993 571771752 /nfs/dbraw/zinc/77/17/52/571771752.db2.gz SAHHYXLITAHGFR-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]CC[C@@H]([NH2+]C)C(C)(C)C 18681146 571771794 /nfs/dbraw/zinc/77/17/94/571771794.db2.gz BSGUZSBWGUCFBD-MRVPVSSYSA-N 2 0 158.289 1.230 10 0 ADAERP [NH3+]CC1C[NH+]([C@@H]2CCCC23CCC3)C1 712503162 571772296 /nfs/dbraw/zinc/77/22/96/571772296.db2.gz GOSSBPPZQLDVQE-LLVKDONJSA-N 2 0 194.322 1.600 10 0 ADAERP C[NH2+]CC[C@H]([NH2+]C)C(C)(C)C 18681148 571772342 /nfs/dbraw/zinc/77/23/42/571772342.db2.gz BSGUZSBWGUCFBD-QMMMGPOBSA-N 2 0 158.289 1.230 10 0 ADAERP [NH3+]CC1C[NH+]([C@H]2CCCC23CCC3)C1 712503163 571772574 /nfs/dbraw/zinc/77/25/74/571772574.db2.gz GOSSBPPZQLDVQE-NSHDSACASA-N 2 0 194.322 1.600 10 0 ADAERP CC[N@H+](CCC[NH3+])C(C)(C)C 18682611 571772653 /nfs/dbraw/zinc/77/26/53/571772653.db2.gz VUFRPPSLMXCNSB-UHFFFAOYSA-N 2 0 158.289 1.456 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])C(C)(C)C 18681053 571772912 /nfs/dbraw/zinc/77/29/12/571772912.db2.gz QSZAJMMOHRWESW-QMMMGPOBSA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[N@@H+]1CCC2(CC2)C1 400006992 571773008 /nfs/dbraw/zinc/77/30/08/571773008.db2.gz SAHHYXLITAHGFR-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]CCC[C@H]([NH3+])c1ccccc1 70953842 571773060 /nfs/dbraw/zinc/77/30/60/571773060.db2.gz RRQCBCXQQLTYMW-NSHDSACASA-N 2 0 178.279 1.686 10 0 ADAERP Cc1ccc([C@H](CC[NH3+])[NH+](C)C)cc1 19673409 571773559 /nfs/dbraw/zinc/77/35/59/571773559.db2.gz GQBUFBXGJWQZKN-LBPRGKRZSA-N 2 0 192.306 1.947 10 0 ADAERP CC[NH+]1CCC2(CCC[NH2+]2)CC1 113262017 571774044 /nfs/dbraw/zinc/77/40/44/571774044.db2.gz XXTVOVOCSDMUEI-UHFFFAOYSA-N 2 0 168.284 1.224 10 0 ADAERP CCC[C@@H]([NH3+])C1CCC([NH3+])CC1 142700822 571774234 /nfs/dbraw/zinc/77/42/34/571774234.db2.gz JVRLIKGYJQIVIL-UDNWOFFPSA-N 2 0 170.300 1.631 10 0 ADAERP C[NH+]1CC2C[NH+](C)CC(C1)C2(C)C 26985820 571774492 /nfs/dbraw/zinc/77/44/92/571774492.db2.gz GHUZEDKFRKXQOG-UHFFFAOYSA-N 2 0 182.311 1.136 10 0 ADAERP C[NH2+]CCC[C@@H]([NH3+])c1ccccc1 70953846 571774535 /nfs/dbraw/zinc/77/45/35/571774535.db2.gz RRQCBCXQQLTYMW-LLVKDONJSA-N 2 0 178.279 1.686 10 0 ADAERP [NH3+]CC1C[NH+]([C@H]2CCC23CCCC3)C1 712521622 571774547 /nfs/dbraw/zinc/77/45/47/571774547.db2.gz BOJHSSSZOGLNSA-NSHDSACASA-N 2 0 194.322 1.600 10 0 ADAERP CC(C)C[C@@]([NH3+])(C[NH3+])C(C)C 19360980 571774686 /nfs/dbraw/zinc/77/46/86/571774686.db2.gz KYLYSEKDMANMPR-SECBINFHSA-N 2 0 158.289 1.345 10 0 ADAERP C[NH2+]CCC[NH2+]CC1(C2CC2)CC1 234352904 571774741 /nfs/dbraw/zinc/77/47/41/571774741.db2.gz CQPNKKSPMPLXGH-UHFFFAOYSA-N 2 0 182.311 1.376 10 0 ADAERP C[NH2+]CCC[NH2+]CC1(C(C)C)CC1 234352731 571775125 /nfs/dbraw/zinc/77/51/25/571775125.db2.gz UVGNSMCTHCSKGY-UHFFFAOYSA-N 2 0 184.327 1.622 10 0 ADAERP C[NH2+]CCC[NH2+]CC(C)(C)C(C)C 234352663 571775251 /nfs/dbraw/zinc/77/52/51/571775251.db2.gz HEUQKJZOPIVIQL-UHFFFAOYSA-N 2 0 186.343 1.868 10 0 ADAERP CC[NH+](CC)[C@@H](C)C1CC[NH2+]CC1 19674545 571775290 /nfs/dbraw/zinc/77/52/90/571775290.db2.gz PCBGLEQSQJYAJX-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP Cc1ccc([C@@H](CC[NH3+])[NH+](C)C)cc1 19673411 571775861 /nfs/dbraw/zinc/77/58/61/571775861.db2.gz GQBUFBXGJWQZKN-GFCCVEGCSA-N 2 0 192.306 1.947 10 0 ADAERP Cc1c[nH]c(NC[C@H]2CC[N@@H+](C)C2)[nH+]1 234352797 571775957 /nfs/dbraw/zinc/77/59/57/571775957.db2.gz NGNFYFLTTCHCAR-SECBINFHSA-N 2 0 194.282 1.082 10 0 ADAERP CC[NH+](CC)[C@H](C)C1CC[NH2+]CC1 19674547 571775998 /nfs/dbraw/zinc/77/59/98/571775998.db2.gz PCBGLEQSQJYAJX-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP C[N@H+](CCC(N)=[NH2+])C1CCCC1 39046729 571776080 /nfs/dbraw/zinc/77/60/80/571776080.db2.gz DHRAHOZTWXHKKH-UHFFFAOYSA-N 2 0 169.272 1.187 10 0 ADAERP [NH3+]CC1C[NH+]([C@@H]2CCC23CCCC3)C1 712521614 571776384 /nfs/dbraw/zinc/77/63/84/571776384.db2.gz BOJHSSSZOGLNSA-LLVKDONJSA-N 2 0 194.322 1.600 10 0 ADAERP CC[C@H]([NH3+])C1CCC([NH3+])CC1 142690705 571776524 /nfs/dbraw/zinc/77/65/24/571776524.db2.gz NXDRKNNLCYFGIT-HACHORDNSA-N 2 0 156.273 1.241 10 0 ADAERP CC[NH2+][C@H](C)C[N@@H+]1CC[C@@H](C2CC2)C1 400288141 571778069 /nfs/dbraw/zinc/77/80/69/571778069.db2.gz MDFOTUFEMQGDFN-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]([NH3+])CC[NH2+]CC1(CC)CC1 233888453 571778092 /nfs/dbraw/zinc/77/80/92/571778092.db2.gz DRXDOTXUVFFYBT-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP C[C@H]1CCC[C@H]1C[NH2+]CC1C[NH2+]C1 710846470 571779013 /nfs/dbraw/zinc/77/90/13/571779013.db2.gz WJLTVXPUSDNLEG-ONGXEEELSA-N 2 0 182.311 1.232 10 0 ADAERP C[N@@H+]1CCC[C@H](CNc2[nH]cc[nH+]2)C1 234350524 571779021 /nfs/dbraw/zinc/77/90/21/571779021.db2.gz HMRMMLOHUIBDEL-SECBINFHSA-N 2 0 194.282 1.163 10 0 ADAERP CC(C)(C)[NH2+][C@@H]1CCCC[C@@H]1[NH3+] 142983893 571779163 /nfs/dbraw/zinc/77/91/63/571779163.db2.gz UMAKZWWMOHPVFI-DTWKUNHWSA-N 2 0 170.300 1.644 10 0 ADAERP C[NH2+]CCCC[NH2+]CC1CC=CC1 398293514 571780185 /nfs/dbraw/zinc/78/01/85/571780185.db2.gz MXKXJVMAMNAPGW-UHFFFAOYSA-N 2 0 182.311 1.542 10 0 ADAERP C[NH2+]CCC[NH2+][C@@H](C)CC(F)(F)F 234356632 571780217 /nfs/dbraw/zinc/78/02/17/571780217.db2.gz JRHSUJMVLYBULN-ZETCQYMHSA-N 2 0 198.232 1.526 10 0 ADAERP [NH3+]CCC[NH2+]C[C@@H]1CCC(F)(F)C1 301008660 571780221 /nfs/dbraw/zinc/78/02/21/571780221.db2.gz XFJYFVJIBXUQQH-MRVPVSSYSA-N 2 0 192.253 1.360 10 0 ADAERP C[NH2+]CCC[NH2+]C[C@H]1CC1(C)C 234353763 571780791 /nfs/dbraw/zinc/78/07/91/571780791.db2.gz FRTBVWHJSCHAPW-SECBINFHSA-N 2 0 170.300 1.232 10 0 ADAERP [NH3+]CCC[NH2+]C[C@H]1CCC(F)(F)C1 301008662 571780806 /nfs/dbraw/zinc/78/08/06/571780806.db2.gz XFJYFVJIBXUQQH-QMMMGPOBSA-N 2 0 192.253 1.360 10 0 ADAERP C[NH2+]CCC[NH2+]C[C@@H]1CC1(C)C 234353565 571781448 /nfs/dbraw/zinc/78/14/48/571781448.db2.gz FRTBVWHJSCHAPW-VIFPVBQESA-N 2 0 170.300 1.232 10 0 ADAERP CC[N@H+](CCC[NH+](C)C)C1CC1 687721934 571781584 /nfs/dbraw/zinc/78/15/84/571781584.db2.gz QJSORHIMAMYLQK-UHFFFAOYSA-N 2 0 170.300 1.422 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH2+]C2CCCC2)C1 37484617 571781850 /nfs/dbraw/zinc/78/18/50/571781850.db2.gz JWBZALCXTRRMDR-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+][C@@H]1C[C@H]1C 393435472 571782252 /nfs/dbraw/zinc/78/22/52/571782252.db2.gz FHMUUCGAVLFUOA-OPRDCNLKSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]1C[C@@H](n2cc[nH+]c2N)CC[N@@H+]1C 235709504 571782347 /nfs/dbraw/zinc/78/23/47/571782347.db2.gz VQPHODWFQRBJJK-IUCAKERBSA-N 2 0 194.282 1.121 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 37484618 571782477 /nfs/dbraw/zinc/78/24/77/571782477.db2.gz JWBZALCXTRRMDR-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@@H]([NH2+]C)[C@H]1CSCCN1C 233894407 571783405 /nfs/dbraw/zinc/78/34/05/571783405.db2.gz YMWCBEXAPRCVAV-RKDXNWHRSA-N 2 0 188.340 1.032 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH2+]C2CCCCC2)C1 37484539 571782856 /nfs/dbraw/zinc/78/28/56/571782856.db2.gz JJRPTWCMNUFZEU-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH+]1CCCC1 39140994 571783226 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191.278 1.445 10 0 ADAERP C[C@]1(C[NH3+])CC[N@H+](CCC2CC2)C1 235706852 571783860 /nfs/dbraw/zinc/78/38/60/571783860.db2.gz JBSQRUCFQJRGPD-LLVKDONJSA-N 2 0 182.311 1.457 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+][C@H]1C[C@H]1C 393435470 571784379 /nfs/dbraw/zinc/78/43/79/571784379.db2.gz FHMUUCGAVLFUOA-BBBLOLIVSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]CC[C@H](C)CC[NH3+] 393435471 571784480 /nfs/dbraw/zinc/78/44/80/571784480.db2.gz FHMUUCGAVLFUOA-KXUCPTDWSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]CC[C@H](C)CC[NH3+] 393435473 571784980 /nfs/dbraw/zinc/78/49/80/571784980.db2.gz FHMUUCGAVLFUOA-UTLUCORTSA-N 2 0 170.300 1.359 10 0 ADAERP C[NH2+][C@]1(C)C[C@@H]([NH3+])CC(C)(C)C1 140154893 571785996 /nfs/dbraw/zinc/78/59/96/571785996.db2.gz TWZMTALKFOGSFB-WCBMZHEXSA-N 2 0 170.300 1.502 10 0 ADAERP C[NH2+][C@@]1(C)C[C@@H]([NH3+])CC(C)(C)C1 140155191 571786165 /nfs/dbraw/zinc/78/61/65/571786165.db2.gz TWZMTALKFOGSFB-WPRPVWTQSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H](CC[NH3+])[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 140130290 571786229 /nfs/dbraw/zinc/78/62/29/571786229.db2.gz FSTUWUCOMLDCNL-VLEAKVRGSA-N 2 0 184.327 1.735 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH+]1CCCCC1 39141181 571786542 /nfs/dbraw/zinc/78/65/42/571786542.db2.gz QWVLLHOICXZAMM-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]CCC[NH2+]Cc1ccc(Cl)nc1 39185727 571787359 /nfs/dbraw/zinc/78/73/59/571787359.db2.gz HTFHALGFLUWNGS-UHFFFAOYSA-N 2 0 199.685 1.173 10 0 ADAERP CC(C)([NH3+])C(C)(C)CCCC[NH3+] 113272646 571787470 /nfs/dbraw/zinc/78/74/70/571787470.db2.gz OMAUSUKGZFZKBA-UHFFFAOYSA-N 2 0 172.316 1.879 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCCCC1 39141184 571788115 /nfs/dbraw/zinc/78/81/15/571788115.db2.gz QWVLLHOICXZAMM-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP Cc1cc2cc(C[NH3+])ccc2c(N)[nH+]1 140215027 571789704 /nfs/dbraw/zinc/78/97/04/571789704.db2.gz WXKPEOSDDROAEB-UHFFFAOYSA-N 2 0 187.246 1.584 10 0 ADAERP C[C@H]1C[C@H](Nc2[nH]cc[nH+]2)CC[N@@H+]1C 235716286 571790412 /nfs/dbraw/zinc/79/04/12/571790412.db2.gz YDVQGQQZIPLBKG-DTWKUNHWSA-N 2 0 194.282 1.304 10 0 ADAERP C[NH2+]C[C@@H](C)[NH2+]C[C@H]1CC1(C)C 234362942 571790796 /nfs/dbraw/zinc/79/07/96/571790796.db2.gz MQEFGOOOLGBWGE-RKDXNWHRSA-N 2 0 170.300 1.230 10 0 ADAERP C[NH2+]CCN(C)C[C@H]1CC1(C)C 234362392 571790853 /nfs/dbraw/zinc/79/08/53/571790853.db2.gz AHXXCJGGHLFQLT-SECBINFHSA-N 2 0 170.300 1.184 10 0 ADAERP CC[N@H+](C(C)C)[C@@H]1CCC[C@H]1C[NH3+] 249995375 571791325 /nfs/dbraw/zinc/79/13/25/571791325.db2.gz NUFFWTIKTRCKCF-WDEREUQCSA-N 2 0 184.327 1.844 10 0 ADAERP CC[N@H+](C(C)C)[C@H]1CCC[C@H]1C[NH3+] 249995371 571791462 /nfs/dbraw/zinc/79/14/62/571791462.db2.gz NUFFWTIKTRCKCF-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC2CC2)C[C@H]1C 250658560 571792419 /nfs/dbraw/zinc/79/24/19/571792419.db2.gz QEIWEEWYJFUZHL-PWSUYJOCSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C[NH+](C)C 250661961 571792521 /nfs/dbraw/zinc/79/25/21/571792521.db2.gz QSGAVBRRWNFTHU-SDDRHHMPSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[N@H+](C)C[C@@H]1CCC[C@H]1[NH2+]C 249737990 571796159 /nfs/dbraw/zinc/79/61/59/571796159.db2.gz CROOTCNALFYSCD-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH2+]CC)C[C@H]1C 242728128 571793006 /nfs/dbraw/zinc/79/30/06/571793006.db2.gz YUOAGHMPGPSCHW-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CCCC[N@H+](C)C[C@H]1CCC[C@H]1[NH3+] 249816489 571793158 /nfs/dbraw/zinc/79/31/58/571793158.db2.gz RYLYIYLBYUUEOK-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](C[C@H]1CCCC[C@H]1[NH3+])C1CC1 249798399 571793213 /nfs/dbraw/zinc/79/32/13/571793213.db2.gz BKNONKGSFDNOBF-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP CCCC[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C 249881417 571793375 /nfs/dbraw/zinc/79/33/75/571793375.db2.gz NTDRMBKTRZBEPI-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2C)C1 249673971 571793502 /nfs/dbraw/zinc/79/35/02/571793502.db2.gz COAWSOAXQQXVOX-WOPDTQHZSA-N 2 0 196.338 1.716 10 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SOIDUBTYXLFTDM-ZMLRMANQSA-N 2 0 190.290 1.479 10 0 ADAERP CC[NH2+]C[C@H](CC)[N@@H+]1CCC[C@H]1C 251064202 571804753 /nfs/dbraw/zinc/80/47/53/571804753.db2.gz IIIZMVXOTRHQHO-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 73657374 571804818 /nfs/dbraw/zinc/80/48/18/571804818.db2.gz RKCVRKGTJLKODB-RKDXNWHRSA-N 2 0 156.273 1.127 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH+](C)C)C[C@@H]1C 73655977 571804879 /nfs/dbraw/zinc/80/48/79/571804879.db2.gz IZOVWBGQULJJAX-QWRGUYRKSA-N 2 0 184.327 1.811 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)[C@H](C)C(C)(C)C 251147021 571804916 /nfs/dbraw/zinc/80/49/16/571804916.db2.gz XRFIRSMJSVOCMM-NXEZZACHSA-N 2 0 186.343 1.948 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H]([NH+](C)C)[C@@H](C)C1 73654363 571804958 /nfs/dbraw/zinc/80/49/58/571804958.db2.gz DZLMPXAWNAQJRU-RYUDHWBXSA-N 2 0 198.354 1.914 10 0 ADAERP CC[C@H]([NH3+])CN(CC)[C@H](C)COC 251119015 571805274 /nfs/dbraw/zinc/80/52/74/571805274.db2.gz WAINAQIOMGNUNA-ZJUUUORDSA-N 2 0 188.315 1.081 10 0 ADAERP CCC[NH2+]C[C@H]1CCCCCC[NH2+]1 301025563 571805275 /nfs/dbraw/zinc/80/52/75/571805275.db2.gz PEYHYPOKGVAGGO-LLVKDONJSA-N 2 0 184.327 1.908 10 0 ADAERP CCC[NH2+]C[C@@H]1CCCCCC[NH2+]1 301025565 571805292 /nfs/dbraw/zinc/80/52/92/571805292.db2.gz PEYHYPOKGVAGGO-NSHDSACASA-N 2 0 184.327 1.908 10 0 ADAERP COC[C@@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251151215 571805417 /nfs/dbraw/zinc/80/54/17/571805417.db2.gz AQHIZERRHKMPPI-VHSXEESVSA-N 2 0 188.315 1.081 10 0 ADAERP C/C=C/CN1CCC[NH2+][C@@H](CC)C1 234204746 571805491 /nfs/dbraw/zinc/80/54/91/571805491.db2.gz YDQYQKZMBNJAPK-TZNOJPMFSA-N 2 0 182.311 1.636 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 73654013 571805554 /nfs/dbraw/zinc/80/55/54/571805554.db2.gz LGWIGPWFGFKXRR-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@H]1C 251042317 571805561 /nfs/dbraw/zinc/80/55/61/571805561.db2.gz CVWBJNYMICOEBB-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 73657389 571805777 /nfs/dbraw/zinc/80/57/77/571805777.db2.gz ZHICUFZXGLQRJM-DTWKUNHWSA-N 2 0 156.273 1.125 10 0 ADAERP C[NH+](C)C1CC[NH+](C(C)(C)C)CC1 73653606 571805865 /nfs/dbraw/zinc/80/58/65/571805865.db2.gz LTCOMPWPYCUZRL-UHFFFAOYSA-N 2 0 184.327 1.811 10 0 ADAERP CC[NH2+]C[C@@H](CC)[N@@H+]1CCC[C@H]1C 251064199 571805899 /nfs/dbraw/zinc/80/58/99/571805899.db2.gz IIIZMVXOTRHQHO-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH2+]C2CC2)[C@H](C)C1 73654011 571806103 /nfs/dbraw/zinc/80/61/03/571806103.db2.gz LGWIGPWFGFKXRR-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C[NH2+]C)[N@@H+]1CCC[C@H]1C 251048634 571806200 /nfs/dbraw/zinc/80/62/00/571806200.db2.gz FOYVHXRFYRXKRB-NXEZZACHSA-N 2 0 170.300 1.469 10 0 ADAERP CC(C)C[NH+]1CCC([NH2+]C2CC2)CC1 73652865 571806413 /nfs/dbraw/zinc/80/64/13/571806413.db2.gz OSCJMAUDRUCFGQ-UHFFFAOYSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C[C@H]1C 250829564 571806432 /nfs/dbraw/zinc/80/64/32/571806432.db2.gz QKLALEQHONKPKL-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H](CC[NH3+])[N@H+](C)[C@H]1CCSC1 251180136 571809963 /nfs/dbraw/zinc/80/99/63/571809963.db2.gz GZZIAANHTGIVGE-IUCAKERBSA-N 2 0 188.340 1.161 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 73657385 571806497 /nfs/dbraw/zinc/80/64/97/571806497.db2.gz ZHICUFZXGLQRJM-RKDXNWHRSA-N 2 0 156.273 1.125 10 0 ADAERP CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C[C@H]1C 250829563 571806691 /nfs/dbraw/zinc/80/66/91/571806691.db2.gz QKLALEQHONKPKL-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1c1ccccc1 251126980 571807078 /nfs/dbraw/zinc/80/70/78/571807078.db2.gz SOIDUBTYXLFTDM-DLOVCJGASA-N 2 0 190.290 1.479 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C(C)(C)C 73655304 571807144 /nfs/dbraw/zinc/80/71/44/571807144.db2.gz RYHSNMAXUWLVCI-BDAKNGLRSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@@H]([NH3+])c1csc(CC[NH+](C)C)n1 74214520 571807250 /nfs/dbraw/zinc/80/72/50/571807250.db2.gz SKEVGJXONILOIA-SSDOTTSWSA-N 2 0 199.323 1.267 10 0 ADAERP CC(C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 73657393 571807310 /nfs/dbraw/zinc/80/73/10/571807310.db2.gz ZHICUFZXGLQRJM-IUCAKERBSA-N 2 0 156.273 1.125 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH+](C)C)C[C@@H]1C 73655980 571807330 /nfs/dbraw/zinc/80/73/30/571807330.db2.gz IZOVWBGQULJJAX-WDEREUQCSA-N 2 0 184.327 1.811 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C(C)(C)C 73655310 571807347 /nfs/dbraw/zinc/80/73/47/571807347.db2.gz RYHSNMAXUWLVCI-DTWKUNHWSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C(C)(C)C 73655305 571807288 /nfs/dbraw/zinc/80/72/88/571807288.db2.gz RYHSNMAXUWLVCI-IUCAKERBSA-N 2 0 170.300 1.373 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)C[C@H](C)C[NH3+] 251283132 571807648 /nfs/dbraw/zinc/80/76/48/571807648.db2.gz GMUPABBXJHFFIU-GHMZBOCLSA-N 2 0 186.343 1.949 10 0 ADAERP CC(C)C[C@H]([NH3+])C(C)(C)[NH+](C)C 74309848 571810068 /nfs/dbraw/zinc/81/00/68/571810068.db2.gz MOGGLUYJUOVOTA-VIFPVBQESA-N 2 0 172.316 1.700 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)CC[C@H]1CCC[NH2+]1 251517734 571807683 /nfs/dbraw/zinc/80/76/83/571807683.db2.gz JBIZGKWVSCJLQY-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C(C)(C)C 73655309 571807800 /nfs/dbraw/zinc/80/78/00/571807800.db2.gz RYHSNMAXUWLVCI-RKDXNWHRSA-N 2 0 170.300 1.373 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH+](C)C)[C@H](C)C1 73654074 571807944 /nfs/dbraw/zinc/80/79/44/571807944.db2.gz DXTPTDLWUFWZBP-GHMZBOCLSA-N 2 0 184.327 1.668 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1C 251229405 571807990 /nfs/dbraw/zinc/80/79/90/571807990.db2.gz ZXKWGBJQQTYWGM-VGMNWLOBSA-N 2 0 156.273 1.112 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H]1C 251229403 571808001 /nfs/dbraw/zinc/80/80/01/571808001.db2.gz ZXKWGBJQQTYWGM-HRDYMLBCSA-N 2 0 156.273 1.112 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H]([NH+](C)C)[C@H](C)C1 73654361 571808053 /nfs/dbraw/zinc/80/80/53/571808053.db2.gz DZLMPXAWNAQJRU-NEPJUHHUSA-N 2 0 198.354 1.914 10 0 ADAERP CC[NH+](CC)CC[C@H]([NH3+])CCOC 687722500 571808365 /nfs/dbraw/zinc/80/83/65/571808365.db2.gz XBNISVGCHKOYHZ-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP CCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 73657380 571808447 /nfs/dbraw/zinc/80/84/47/571808447.db2.gz RKCVRKGTJLKODB-DTWKUNHWSA-N 2 0 156.273 1.127 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 251520960 571808495 /nfs/dbraw/zinc/80/84/95/571808495.db2.gz JKYUIZFKOCFDBJ-ADEWGFFLSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)CC[C@H]1CCC[NH2+]1 251517362 571808530 /nfs/dbraw/zinc/80/85/30/571808530.db2.gz JBIZGKWVSCJLQY-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCC[C@H]1C 251268985 571808598 /nfs/dbraw/zinc/80/85/98/571808598.db2.gz MJDAMMSYZFSOPK-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+][C@H](C[N@@H+]1CC[C@H](C)C1)C(C)(C)C 251521874 571808636 /nfs/dbraw/zinc/80/86/36/571808636.db2.gz ACQKWNQGXUYMRL-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH+](C)C)[C@H](C)C1 73654070 571808684 /nfs/dbraw/zinc/80/86/84/571808684.db2.gz DXTPTDLWUFWZBP-MNOVXSKESA-N 2 0 184.327 1.668 10 0 ADAERP C[NH2+][C@@]1(CN)CCC[C@@H](C)[C@@H]1C 222166309 571808700 /nfs/dbraw/zinc/80/87/00/571808700.db2.gz GLQXZEKURZFLGO-KXUCPTDWSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H](CCC[NH3+])[N@H+](C)[C@H](C)C1CC1 251204344 571808931 /nfs/dbraw/zinc/80/89/31/571808931.db2.gz LHPOJSIRIPESOQ-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[C@H]([NH2+]C(C)(C)C)CC[NH2+]1 73657396 571809372 /nfs/dbraw/zinc/80/93/72/571809372.db2.gz LZMNUBJRPHFBBW-RKDXNWHRSA-N 2 0 170.300 1.515 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 251520972 571809463 /nfs/dbraw/zinc/80/94/63/571809463.db2.gz JKYUIZFKOCFDBJ-JLLWLGSASA-N 2 0 196.338 1.844 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)[C@H](C)C1CC1 251270113 571809483 /nfs/dbraw/zinc/80/94/83/571809483.db2.gz XMBCKWCQOVZGAG-VHSXEESVSA-N 2 0 184.327 1.715 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)C[C@H](C)C(N)=[NH2+] 251244023 571809505 /nfs/dbraw/zinc/80/95/05/571809505.db2.gz BALPDRONLIQWNE-ZJUUUORDSA-N 2 0 199.342 1.926 10 0 ADAERP CCC[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 74282320 571809987 /nfs/dbraw/zinc/80/99/87/571809987.db2.gz SVMTVAKTEYAGQN-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP COC[C@@H](C)[N@H+](C)[C@H](C)CCC[NH3+] 251259933 571810369 /nfs/dbraw/zinc/81/03/69/571810369.db2.gz VYSXISKHNIJINQ-NXEZZACHSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@H](CC[NH3+])[N@H+](C)[C@H]1CCSC1 251180135 571810545 /nfs/dbraw/zinc/81/05/45/571810545.db2.gz GZZIAANHTGIVGE-BDAKNGLRSA-N 2 0 188.340 1.161 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](C)[C@H](C)C1CC1 251171484 571810738 /nfs/dbraw/zinc/81/07/38/571810738.db2.gz FEEVCCRSSWFGJG-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH+](C)CC[C@H]([NH3+])CC1CC1 74342457 571810785 /nfs/dbraw/zinc/81/07/85/571810785.db2.gz HMNJOJZTNRSNTA-VIFPVBQESA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)[C@H]1CCSC1 251173215 571810814 /nfs/dbraw/zinc/81/08/14/571810814.db2.gz FMWRVFXMYMMSQT-IUCAKERBSA-N 2 0 188.340 1.161 10 0 ADAERP C[C@@H](CCC[NH3+])[N@H+](C)[C@H](C)C1CC1 251204348 571810970 /nfs/dbraw/zinc/81/09/70/571810970.db2.gz LHPOJSIRIPESOQ-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]CC[C@@H](C)[N@H+](C)[C@H](C)C1CC1 251195019 571811125 /nfs/dbraw/zinc/81/11/25/571811125.db2.gz JTNMUWBOZDCKFC-NXEZZACHSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+]CC[C@H](C)[N@H+](C)[C@H](C)C1CC1 251195022 571811183 /nfs/dbraw/zinc/81/11/83/571811183.db2.gz JTNMUWBOZDCKFC-VHSXEESVSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@H](C(N)=[NH2+])N(C)[C@H](C)C1CC1 251486801 571811199 /nfs/dbraw/zinc/81/11/99/571811199.db2.gz GFQCHVRUVWGOGP-RNFRBKRXSA-N 2 0 169.272 1.041 10 0 ADAERP C[C@@H]([NH3+])CCC[N@H+](C)[C@H](C)C1CC1 251171482 571811364 /nfs/dbraw/zinc/81/13/64/571811364.db2.gz FEEVCCRSSWFGJG-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCSC1 251173213 571811373 /nfs/dbraw/zinc/81/13/73/571811373.db2.gz FMWRVFXMYMMSQT-BDAKNGLRSA-N 2 0 188.340 1.161 10 0 ADAERP C[NH+](C)CC[C@H]([NH3+])CC1CCCC1 74282406 571811535 /nfs/dbraw/zinc/81/15/35/571811535.db2.gz YXOSCRFFCXWONW-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C 251223121 571811574 /nfs/dbraw/zinc/81/15/74/571811574.db2.gz ZAMMRPQSNBKLCJ-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251521036 571811714 /nfs/dbraw/zinc/81/17/14/571811714.db2.gz ADXUCJBPSHWGLP-UWVGGRQHSA-N 2 0 172.316 1.844 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)[C@H](C)C1CC1 251270109 571811789 /nfs/dbraw/zinc/81/17/89/571811789.db2.gz XMBCKWCQOVZGAG-NXEZZACHSA-N 2 0 184.327 1.715 10 0 ADAERP CC[C@@H](C)[N@H+](C)CCC[C@H](C)[NH3+] 251521048 571811816 /nfs/dbraw/zinc/81/18/16/571811816.db2.gz ADXUCJBPSHWGLP-VHSXEESVSA-N 2 0 172.316 1.844 10 0 ADAERP CC[NH+](CC)CC[C@@H]([NH3+])CCOC 687722501 571811896 /nfs/dbraw/zinc/81/18/96/571811896.db2.gz XBNISVGCHKOYHZ-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP CC[C@](C)(C[NH3+])C[N@@H+]1CCC[C@H]1C 251268982 571811912 /nfs/dbraw/zinc/81/19/12/571811912.db2.gz MJDAMMSYZFSOPK-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)C[C@@H]([NH3+])C(C)(C)[NH+](C)C 74309850 571812151 /nfs/dbraw/zinc/81/21/51/571812151.db2.gz MOGGLUYJUOVOTA-SECBINFHSA-N 2 0 172.316 1.700 10 0 ADAERP C[NH2+]C[C@@H](C)C[N@H+](C)[C@H](C)C(C)C 251272925 571812198 /nfs/dbraw/zinc/81/21/98/571812198.db2.gz CBNVYZUWRVDOBH-GHMZBOCLSA-N 2 0 186.343 1.818 10 0 ADAERP CCC[C@H](C)[N@H+](C)C[C@H](C)C[NH2+]C 251268428 571812310 /nfs/dbraw/zinc/81/23/10/571812310.db2.gz DSDKCBMYPLSFAZ-MNOVXSKESA-N 2 0 186.343 1.962 10 0 ADAERP CCC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C 251223119 571812392 /nfs/dbraw/zinc/81/23/92/571812392.db2.gz ZAMMRPQSNBKLCJ-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@H](C)C[N@H+](C)C[C@H](C)C[NH3+] 251283136 571812500 /nfs/dbraw/zinc/81/25/00/571812500.db2.gz GMUPABBXJHFFIU-WDEREUQCSA-N 2 0 186.343 1.949 10 0 ADAERP CCC[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 74282315 571812517 /nfs/dbraw/zinc/81/25/17/571812517.db2.gz SVMTVAKTEYAGQN-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@H]1[NH3+] 251520982 571812563 /nfs/dbraw/zinc/81/25/63/571812563.db2.gz JKYUIZFKOCFDBJ-YUSALJHKSA-N 2 0 196.338 1.844 10 0 ADAERP C[NH2+]CC[C@@H](C)[N@H+](C)[C@H](C)C(C)C 251322879 571813056 /nfs/dbraw/zinc/81/30/56/571813056.db2.gz MNEUQQJGNPQREH-GHMZBOCLSA-N 2 0 186.343 1.961 10 0 ADAERP CC(C)C[C@@H](C)[N@H+](C)C[C@H](C)C(N)=[NH2+] 251351522 571813287 /nfs/dbraw/zinc/81/32/87/571813287.db2.gz BNUFDJKKFDFJCK-VHSXEESVSA-N 2 0 199.342 1.925 10 0 ADAERP C[NH+](C)CC[C@@H]([NH3+])CC1CCCC1 74282413 571813296 /nfs/dbraw/zinc/81/32/96/571813296.db2.gz YXOSCRFFCXWONW-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)C[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] 251439673 571813301 /nfs/dbraw/zinc/81/33/01/571813301.db2.gz UYNDTXDJXVEHHJ-MNOVXSKESA-N 2 0 186.343 1.948 10 0 ADAERP CC[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])C1 251528140 571813351 /nfs/dbraw/zinc/81/33/51/571813351.db2.gz AFYKSCUSDLLWNJ-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 251438134 571813560 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156.273 1.113 10 0 ADAERP C[C@@H]1SCC[C@H]1[NH2+]CCCC[NH3+] 235371582 571848665 /nfs/dbraw/zinc/84/86/65/571848665.db2.gz KDSWXANEBNQWJH-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1C1(C[NH3+])CC1 233919307 571849101 /nfs/dbraw/zinc/84/91/01/571849101.db2.gz RQEOQISAINVJMM-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP CCCCC[N@@H+]1CC[C@@H]([NH3+])C1(C)C 259525007 571849393 /nfs/dbraw/zinc/84/93/93/571849393.db2.gz VMXMXLOCPPCZKK-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP C[NH+](C)Cc1ccc(F)c(C[NH3+])c1 234237333 571850208 /nfs/dbraw/zinc/85/02/08/571850208.db2.gz GPCGMFORLPNVPF-UHFFFAOYSA-N 2 0 182.242 1.346 10 0 ADAERP C[C@@H]1C[C@H](n2cc[nH+]c2N)CC[N@@H+]1C 235372019 571850267 /nfs/dbraw/zinc/85/02/67/571850267.db2.gz VQPHODWFQRBJJK-RKDXNWHRSA-N 2 0 194.282 1.121 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C 233923384 571851217 /nfs/dbraw/zinc/85/12/17/571851217.db2.gz XLLZTSOJDAEMJD-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP 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182.311 1.646 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 233929887 571855119 /nfs/dbraw/zinc/85/51/19/571855119.db2.gz GMKYHWPKMQFXCS-QCNOEVLYSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@H](CC(N)=[NH2+])[N@@H+]1CCC12CCCC2 687897334 571855285 /nfs/dbraw/zinc/85/52/85/571855285.db2.gz BOBOGCGEBWCFOO-SECBINFHSA-N 2 0 195.310 1.719 10 0 ADAERP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CC[NH2+]C 322946049 571855357 /nfs/dbraw/zinc/85/53/57/571855357.db2.gz QHHKCCPTUDKQSW-MXWKQRLJSA-N 2 0 184.327 1.620 10 0 ADAERP [NH3+]CCCC[NH2+][C@H]1C[C@H]2CC[C@H](C2)C1 711004631 571857202 /nfs/dbraw/zinc/85/72/02/571857202.db2.gz YWFCOSJPJWXFFX-ZSBIGDGJSA-N 2 0 196.338 1.894 10 0 ADAERP C[NH2+]CC[N@@H+]1[C@@H](C)CC[C@H]1C 147628287 571855585 /nfs/dbraw/zinc/85/55/85/571855585.db2.gz VMAXOFZJOKTTPE-DTORHVGOSA-N 2 0 156.273 1.079 10 0 ADAERP C[NH2+]CC[NH+]1[C@@H](C)CC[C@@H]1C 147628084 571855688 /nfs/dbraw/zinc/85/56/88/571855688.db2.gz VMAXOFZJOKTTPE-IUCAKERBSA-N 2 0 156.273 1.079 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 233929731 571856065 /nfs/dbraw/zinc/85/60/65/571856065.db2.gz WOUVYQGMIPCSQU-AEJSXWLSSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@H]([NH2+]CCC(F)F)[C@H]1CC[NH2+]C1 400333555 571856183 /nfs/dbraw/zinc/85/61/83/571856183.db2.gz DOJSUWUUENOANN-YUMQZZPRSA-N 2 0 192.253 1.229 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+]C[C@@H](C)C1 233929376 571856479 /nfs/dbraw/zinc/85/64/79/571856479.db2.gz XRFGOOSZDFQWLK-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH+]1CCC([NH2+]C)CC1 233929301 571856502 /nfs/dbraw/zinc/85/65/02/571856502.db2.gz RQLNLGDKVBAPRS-KOLCDFICSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 233928880 571856869 /nfs/dbraw/zinc/85/68/69/571856869.db2.gz ZAXPHMMUIBLUOU-UTUOFQBUSA-N 2 0 196.338 1.574 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+][C@@H](C)CC1 233929414 571857137 /nfs/dbraw/zinc/85/71/37/571857137.db2.gz MONHLGGHBJHBTQ-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP 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571858815 /nfs/dbraw/zinc/85/88/15/571858815.db2.gz DTEXLAMSJHWYIK-JQWIXIFHSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+][C@H](C)CN[C@@H](C)CC(F)(F)F 234441078 571859420 /nfs/dbraw/zinc/85/94/20/571859420.db2.gz MAPATCLJYAKKAC-NKWVEPMBSA-N 2 0 198.232 1.525 10 0 ADAERP Cc1ccc2c(c1)CC[C@@]([NH3+])(CN)C2 38866080 571859513 /nfs/dbraw/zinc/85/95/13/571859513.db2.gz XFBZBLJFTWXJBN-LBPRGKRZSA-N 2 0 190.290 1.140 10 0 ADAERP C[C@@H](CF)[NH2+]C[C@H]1CC[C@H]([NH3+])CC1 711010621 571859681 /nfs/dbraw/zinc/85/96/81/571859681.db2.gz SBKHHNZLKIXVJK-GUBZILKMSA-N 2 0 188.290 1.452 10 0 ADAERP CC[NH2+]CC[C@H](C)[NH+]1CCC1 144536860 571860026 /nfs/dbraw/zinc/86/00/26/571860026.db2.gz JDKPEHZOPSRZDC-VIFPVBQESA-N 2 0 156.273 1.080 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+][C@@H](C)CC1 233934727 571860720 /nfs/dbraw/zinc/86/07/20/571860720.db2.gz MONHLGGHBJHBTQ-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[N@H+](C)Cc1ncccc1C[NH3+] 300729215 571860958 /nfs/dbraw/zinc/86/09/58/571860958.db2.gz CWOKYGCNJLXJJW-UHFFFAOYSA-N 2 0 193.294 1.382 10 0 ADAERP Cc1ccc2c(c1)CC[C@]([NH3+])(CN)C2 38866077 571861050 /nfs/dbraw/zinc/86/10/50/571861050.db2.gz XFBZBLJFTWXJBN-GFCCVEGCSA-N 2 0 190.290 1.140 10 0 ADAERP CN(C)C(C)(C)C[NH2+]C1CC1 234246424 571861185 /nfs/dbraw/zinc/86/11/85/571861185.db2.gz AILCOMPSKKPGLA-UHFFFAOYSA-N 2 0 156.273 1.079 10 0 ADAERP CC(C)/C=C\[NH2+]CCCC[NH3+] 111383532 571861644 /nfs/dbraw/zinc/86/16/44/571861644.db2.gz AMTIRUGRJCZISV-YVMONPNESA-N 2 0 156.273 1.485 10 0 ADAERP C[C@H](CF)[NH2+]C[C@H]1CC[C@H]([NH3+])CC1 711010623 571861722 /nfs/dbraw/zinc/86/17/22/571861722.db2.gz SBKHHNZLKIXVJK-OPRDCNLKSA-N 2 0 188.290 1.452 10 0 ADAERP [NH3+]CC1C[NH+](CCC2CCCC2)C1 300725884 571862706 /nfs/dbraw/zinc/86/27/06/571862706.db2.gz DCOZRHDEHQMIKJ-UHFFFAOYSA-N 2 0 182.311 1.457 10 0 ADAERP CC[C@@H]1C[C@H]1[NH+]1CCC([NH2+]C)CC1 233934656 571862522 /nfs/dbraw/zinc/86/25/22/571862522.db2.gz RQLNLGDKVBAPRS-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+]C[C@@H](C)C1 233934697 571862578 /nfs/dbraw/zinc/86/25/78/571862578.db2.gz XRFGOOSZDFQWLK-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(N)=[NH2+] 211617275 571862916 /nfs/dbraw/zinc/86/29/16/571862916.db2.gz PZJNONWKDGKFOS-BDAKNGLRSA-N 2 0 183.299 1.575 10 0 ADAERP CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1CC 229702919 571863162 /nfs/dbraw/zinc/86/31/62/571863162.db2.gz IXLDSDJQTKWZFP-VHSXEESVSA-N 2 0 170.300 1.374 10 0 ADAERP NC(=[NH2+])CCC[N@@H+]1CCC12CCCC2 687897515 571863256 /nfs/dbraw/zinc/86/32/56/571863256.db2.gz CVGVBZAXBPKEDP-UHFFFAOYSA-N 2 0 195.310 1.721 10 0 ADAERP [NH3+]CC1(N2CCC(CF)CC2)CC1 689383221 571865177 /nfs/dbraw/zinc/86/51/77/571865177.db2.gz APWVXTFLCIPNHX-UHFFFAOYSA-N 2 0 186.274 1.159 10 0 ADAERP C[C@H]1CCC[N@H+](CCC(N)=[NH2+])C1 38971082 571865798 /nfs/dbraw/zinc/86/57/98/571865798.db2.gz VPVPTHVTLLTDHD-QMMMGPOBSA-N 2 0 169.272 1.044 10 0 ADAERP C[C@@H]1C[C@@H](C[NH2+]CC2CC2)CC[NH2+]1 235385184 571865926 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/nfs/dbraw/zinc/91/33/20/571913320.db2.gz YSZXTLLPYQFMLJ-DAFODLJHSA-N 2 0 168.284 1.377 10 0 ADAERP C[N@@H+]1CCC[C@@H](/C=C/CC[NH3+])C1 687678944 571913366 /nfs/dbraw/zinc/91/33/66/571913366.db2.gz DVBOHWIQUWWGKK-JYBNPQIESA-N 2 0 168.284 1.233 10 0 ADAERP CC[N@@H+]1CCC[C@@H](/C=C/C[NH3+])C1 687679040 571913456 /nfs/dbraw/zinc/91/34/56/571913456.db2.gz QXBHUQMQSUGEGR-RXNUUUNCSA-N 2 0 168.284 1.233 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+]CC[C@H]1C[C@H]1C1CC1 712655473 571913495 /nfs/dbraw/zinc/91/34/95/571913495.db2.gz WLILUANMEVWJHD-TUAOUCFPSA-N 2 0 196.338 1.750 10 0 ADAERP C[NH2+]CC/C=C/C[C@H]1CCC[NH2+]1 687678858 571913663 /nfs/dbraw/zinc/91/36/63/571913663.db2.gz PWHSIEAEARMSRS-PBKGFPTLSA-N 2 0 168.284 1.294 10 0 ADAERP [NH3+]CC/C=C/CC1CC[NH2+]CC1 687678946 571913708 /nfs/dbraw/zinc/91/37/08/571913708.db2.gz FLAIONSNKVHWON-OWOJBTEDSA-N 2 0 168.284 1.281 10 0 ADAERP C[N@@H+]1CCCC[C@H]1/C=C/CC[NH3+] 687678952 571913717 /nfs/dbraw/zinc/91/37/17/571913717.db2.gz OPIPEQPPRYDKDH-GCEAOBNSSA-N 2 0 168.284 1.376 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](/C=C/C[NH3+])C1 687679105 571913784 /nfs/dbraw/zinc/91/37/84/571913784.db2.gz OICBCBCGBCBSTK-FSIBCCDJSA-N 2 0 168.284 1.232 10 0 ADAERP C[NH2+]CC/C=C/C[C@H]1CC[NH2+]C1 687678958 571913811 /nfs/dbraw/zinc/91/38/11/571913811.db2.gz QSLUFANAEDXYHM-PBKGFPTLSA-N 2 0 168.284 1.152 10 0 ADAERP [NH3+]CC/C=C/C[C@@H]1CCCC[NH2+]1 687678853 571913897 /nfs/dbraw/zinc/91/38/97/571913897.db2.gz KWVBMOGQEDZOAL-TXXBHVLJSA-N 2 0 168.284 1.424 10 0 ADAERP C[NH2+]C/C=C/C[C@H]1CCC[N@@H+]1C 687679031 571913918 /nfs/dbraw/zinc/91/39/18/571913918.db2.gz BYSUHEFNWUHIQO-FSIBCCDJSA-N 2 0 168.284 1.246 10 0 ADAERP C[NH+]1CCC(/C=C/CC[NH3+])CC1 687678962 571913995 /nfs/dbraw/zinc/91/39/95/571913995.db2.gz RTISKTBOAASCCI-DUXPYHPUSA-N 2 0 168.284 1.233 10 0 ADAERP C[NH2+]C/C=C/C[C@@H]1CCC[NH2+]C1 687679061 571914009 /nfs/dbraw/zinc/91/40/09/571914009.db2.gz OSTKUHYFQSRNRP-VMZHVLLKSA-N 2 0 168.284 1.152 10 0 ADAERP [NH3+]CC/C=C/C[C@H]1CCCC[NH2+]1 687678854 571914021 /nfs/dbraw/zinc/91/40/21/571914021.db2.gz KWVBMOGQEDZOAL-YOLVWIGZSA-N 2 0 168.284 1.424 10 0 ADAERP CC[N@@H+]1CC[C@@H](/C=C/C[NH2+]C)C1 687679107 571914083 /nfs/dbraw/zinc/91/40/83/571914083.db2.gz ORFUTILFDZGGOW-ORAHPGNNSA-N 2 0 168.284 1.104 10 0 ADAERP C[N@@H+]1CCC[C@@H](C/C=C/C[NH3+])C1 687679071 571914152 /nfs/dbraw/zinc/91/41/52/571914152.db2.gz VVHVJACEOBXPJO-VMZHVLLKSA-N 2 0 168.284 1.233 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1/C=C/CC[NH3+] 687678953 571914180 /nfs/dbraw/zinc/91/41/80/571914180.db2.gz OPIPEQPPRYDKDH-LFKJVQOCSA-N 2 0 168.284 1.376 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1C/C=C/C[NH3+] 687679044 571914229 /nfs/dbraw/zinc/91/42/29/571914229.db2.gz TYZFSGHBRYPCJP-YWNRKNDBSA-N 2 0 168.284 1.376 10 0 ADAERP CC[NH+]1CCC(/C=C/C[NH3+])CC1 687679102 571914241 /nfs/dbraw/zinc/91/42/41/571914241.db2.gz HTRJQJHOICIPCR-ONEGZZNKSA-N 2 0 168.284 1.233 10 0 ADAERP C[NH2+]C/C=C/C[C@H]1CCC[NH2+]C1 687679060 571914289 /nfs/dbraw/zinc/91/42/89/571914289.db2.gz OSTKUHYFQSRNRP-PBKGFPTLSA-N 2 0 168.284 1.152 10 0 ADAERP C(\C[NH+]1CCCC1)=C1/CC[NH2+]C1 687678846 571914400 /nfs/dbraw/zinc/91/44/00/571914400.db2.gz RFOIJFBPQFAGIH-WMZJFQQLSA-N 2 0 166.268 1.002 10 0 ADAERP C[NH2+]C/C=C/[C@H]1CCCC[N@@H+]1C 687679045 571914403 /nfs/dbraw/zinc/91/44/03/571914403.db2.gz ZVGPEOKWIGMWEB-BREXMAIKSA-N 2 0 168.284 1.246 10 0 ADAERP C[NH2+]CC/C=C/C[C@@H]1CCC[NH2+]1 687678859 571914429 /nfs/dbraw/zinc/91/44/29/571914429.db2.gz PWHSIEAEARMSRS-VMZHVLLKSA-N 2 0 168.284 1.294 10 0 ADAERP C[NH2+]CC/C=C/[C@H]1CCCC[NH2+]1 687678856 571914496 /nfs/dbraw/zinc/91/44/96/571914496.db2.gz MHXREVYNOOLUGJ-LFKJVQOCSA-N 2 0 168.284 1.294 10 0 ADAERP CC[N@@H+]1CCCC[C@H]1/C=C/C[NH3+] 687679036 571914510 /nfs/dbraw/zinc/91/45/10/571914510.db2.gz JKLKTKMAZGWRNS-STUBTGCMSA-N 2 0 168.284 1.376 10 0 ADAERP C[N@@H+]1CCC[C@H]1C/C=C/CC[NH3+] 687678863 571914672 /nfs/dbraw/zinc/91/46/72/571914672.db2.gz SFOQALIQZDKQMH-VMZHVLLKSA-N 2 0 168.284 1.376 10 0 ADAERP C[NH2+]C/C=C/C[C@@H]1CCCC[NH2+]1 687679047 571914716 /nfs/dbraw/zinc/91/47/16/571914716.db2.gz CMDPGMBNWCVYLK-XCRNYIDWSA-N 2 0 168.284 1.294 10 0 ADAERP CC[N@@H+]1CCC[C@H]1C/C=C/C[NH3+] 687679042 571914763 /nfs/dbraw/zinc/91/47/63/571914763.db2.gz SISRKTBPUWYLCY-HMDXOVGESA-N 2 0 168.284 1.376 10 0 ADAERP C[C@H](Cn1ccnc1)Nc1[nH]cc[nH+]1 235458830 571915321 /nfs/dbraw/zinc/91/53/21/571915321.db2.gz LUEHJXMMTYKWGB-MRVPVSSYSA-N 2 0 191.238 1.107 10 0 ADAERP [NH3+]CC/C=C/C[C@@H]1CCC[NH2+]C1 687678866 571914815 /nfs/dbraw/zinc/91/48/15/571914815.db2.gz VWFWTGYFBGKKFE-TXXBHVLJSA-N 2 0 168.284 1.281 10 0 ADAERP C[NH2+]C/C=C/C[C@H]1CCCC[NH2+]1 687679048 571914883 /nfs/dbraw/zinc/91/48/83/571914883.db2.gz CMDPGMBNWCVYLK-YWNRKNDBSA-N 2 0 168.284 1.294 10 0 ADAERP Cc1cnc(CNC[C@H](C)C[NH3+])s1 235462086 571914902 /nfs/dbraw/zinc/91/49/02/571914902.db2.gz FYLINXFCTTWFIY-SSDOTTSWSA-N 2 0 199.323 1.136 10 0 ADAERP C[NH2+]C/C=C/CC1CC[NH2+]CC1 687679100 571914924 /nfs/dbraw/zinc/91/49/24/571914924.db2.gz BVDHSBOESVAXRN-NSCUHMNNSA-N 2 0 168.284 1.152 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](/C=C/C[NH3+])C1 687679106 571914928 /nfs/dbraw/zinc/91/49/28/571914928.db2.gz OICBCBCGBCBSTK-HMDXOVGESA-N 2 0 168.284 1.232 10 0 ADAERP C[NH2+]CC/C=C/C[C@@H]1CC[NH2+]C1 687678959 571914982 /nfs/dbraw/zinc/91/49/82/571914982.db2.gz QSLUFANAEDXYHM-VMZHVLLKSA-N 2 0 168.284 1.152 10 0 ADAERP [NH3+]CC/C=C/C[C@H]1CCC[NH2+]C1 687678867 571915042 /nfs/dbraw/zinc/91/50/42/571915042.db2.gz VWFWTGYFBGKKFE-YOLVWIGZSA-N 2 0 168.284 1.281 10 0 ADAERP CC[N@@H+]1CC[C@H](/C=C/C[NH2+]C)C1 687679108 571915164 /nfs/dbraw/zinc/91/51/64/571915164.db2.gz ORFUTILFDZGGOW-YEZKRMTDSA-N 2 0 168.284 1.104 10 0 ADAERP C[N@@H+]1CCC[C@H](C/C=C/C[NH3+])C1 687679070 571915179 /nfs/dbraw/zinc/91/51/79/571915179.db2.gz VVHVJACEOBXPJO-PBKGFPTLSA-N 2 0 168.284 1.233 10 0 ADAERP CC[N@@H+]1CCC[C@H](/C=C/C[NH3+])C1 687679039 571915191 /nfs/dbraw/zinc/91/51/91/571915191.db2.gz QXBHUQMQSUGEGR-GFAPAMAISA-N 2 0 168.284 1.233 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1/C=C/C[NH2+]C 687679034 571915210 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1.183 10 0 ADAERP CC[N@@H+]1CC[C@@H](/C=C/CC[NH3+])C1 687678905 571918066 /nfs/dbraw/zinc/91/80/66/571918066.db2.gz IOFMEVKSVVFLOE-RXNUUUNCSA-N 2 0 168.284 1.233 10 0 ADAERP CC[N@@H+]1CC[C@@H](C/C=C/C[NH3+])C1 687679110 571918104 /nfs/dbraw/zinc/91/81/04/571918104.db2.gz VKCLBNQGZBWVAU-HMDXOVGESA-N 2 0 168.284 1.233 10 0 ADAERP CC[N@@H+]1CC[C@H](C/C=C/C[NH3+])C1 687679109 571918121 /nfs/dbraw/zinc/91/81/21/571918121.db2.gz VKCLBNQGZBWVAU-FSIBCCDJSA-N 2 0 168.284 1.233 10 0 ADAERP Cc1c[nH]c(NC[C@@H](C)[NH+](C)C)[nH+]1 235485827 571918141 /nfs/dbraw/zinc/91/81/41/571918141.db2.gz FCHOPPBKURKPCF-MRVPVSSYSA-N 2 0 182.271 1.080 10 0 ADAERP Cc1cn(C)c(NC[C@@H](C)[NH+](C)C)[nH+]1 235486660 571918147 /nfs/dbraw/zinc/91/81/47/571918147.db2.gz KDSPKCGWTNFPKT-SECBINFHSA-N 2 0 196.298 1.091 10 0 ADAERP C[C@H]([NH3+])CC[NH2+][C@H](C)CC(F)(F)F 235488896 571918385 /nfs/dbraw/zinc/91/83/85/571918385.db2.gz QFJRZJGAWZUOJZ-NKWVEPMBSA-N 2 0 198.232 1.654 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CC1(C2CC2)CC1 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ADAERP C[C@@H]1CCCC[C@@]1([NH3+])[C@@H]1C=CC[NH2+]1 687695448 571985037 /nfs/dbraw/zinc/98/50/37/571985037.db2.gz XTXXLTNQLXTSLQ-VWYCJHECSA-N 2 0 180.295 1.422 10 0 ADAERP CC[C@H]([NH3+])CCCCC[NH3+] 13509431 571985161 /nfs/dbraw/zinc/98/51/61/571985161.db2.gz QAHWBDBQIHMPRN-QMMMGPOBSA-N 2 0 144.262 1.243 10 0 ADAERP CC(C)(C)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 713174256 571985285 /nfs/dbraw/zinc/98/52/85/571985285.db2.gz DSYGYKULPUBQCM-MNOVXSKESA-N 2 0 196.338 1.574 10 0 ADAERP CCCC[C@@H]([NH3+])CCC[NH3+] 13509422 571985312 /nfs/dbraw/zinc/98/53/12/571985312.db2.gz YWUZKDXKGNGBKS-MRVPVSSYSA-N 2 0 144.262 1.243 10 0 ADAERP CC(C)(C)C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 713174260 571985328 /nfs/dbraw/zinc/98/53/28/571985328.db2.gz DSYGYKULPUBQCM-QWRGUYRKSA-N 2 0 196.338 1.574 10 0 ADAERP CC[C@@H]([NH3+])CCCCC[NH3+] 13509430 571985367 /nfs/dbraw/zinc/98/53/67/571985367.db2.gz QAHWBDBQIHMPRN-MRVPVSSYSA-N 2 0 144.262 1.243 10 0 ADAERP [NH3+]C1([C@H]2C=CC[NH2+]2)CCCCC1 687695397 571985399 /nfs/dbraw/zinc/98/53/99/571985399.db2.gz LQZUEAWCRWUZGP-SECBINFHSA-N 2 0 166.268 1.176 10 0 ADAERP C[C@H]([NH3+])CCCCCC[NH3+] 13512579 571985859 /nfs/dbraw/zinc/98/58/59/571985859.db2.gz ADWMBDUGYBDVAS-QMMMGPOBSA-N 2 0 144.262 1.243 10 0 ADAERP C[NH+](C)Cc1cccc(C[NH+](C)C)n1 114017282 571986083 /nfs/dbraw/zinc/98/60/83/571986083.db2.gz MGYGVVVDLZIDTB-UHFFFAOYSA-N 2 0 193.294 1.205 10 0 ADAERP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@H]2[C@H]1CC[NH2+]1 687768762 571986113 /nfs/dbraw/zinc/98/61/13/571986113.db2.gz ARZWUEMDJSJMMV-ZRUFSTJUSA-N 2 0 180.295 1.127 10 0 ADAERP C1C[NH2+][C@@H]2CCC[C@H]([C@@H]3CC[NH2+]3)[C@@H]2C1 687768775 571986183 /nfs/dbraw/zinc/98/61/83/571986183.db2.gz CJFYVWSQKQDRTE-YFKTTZPYSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@H]([C@H]2CC[NH2+]2)[C@H]2CCC[NH2+][C@@H]2C1 687768772 571986213 /nfs/dbraw/zinc/98/62/13/571986213.db2.gz CJFYVWSQKQDRTE-IRCOFANPSA-N 2 0 194.322 1.517 10 0 ADAERP C1CC[C@@H](CO[C@@H]2CCCC[NH2+]2)[NH2+]C1 687768314 571986229 /nfs/dbraw/zinc/98/62/29/571986229.db2.gz PDAHTHGHSGTKQM-WDEREUQCSA-N 2 0 198.310 1.245 10 0 ADAERP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@@H]2[C@H]1CC[NH2+]1 687768761 571986321 /nfs/dbraw/zinc/98/63/21/571986321.db2.gz ARZWUEMDJSJMMV-XWLWVQCSSA-N 2 0 180.295 1.127 10 0 ADAERP C1=C([C@@H]2CCC[NH2+]C2)C[C@H]2[NH2+]CC[C@H]12 687769193 571986907 /nfs/dbraw/zinc/98/69/07/571986907.db2.gz IEOUTGXYTYVHMC-CKYFFXLPSA-N 2 0 192.306 1.294 10 0 ADAERP C[C@@H]1C[C@@H](C(C)(C)C)[NH2+]CC[NH2+]1 196165139 571986671 /nfs/dbraw/zinc/98/66/71/571986671.db2.gz PMNUDVUTKPIKPH-BDAKNGLRSA-N 2 0 170.300 1.373 10 0 ADAERP C1CC[C@@H](S[C@@H]2CC[NH2+]C2)[NH2+]C1 687768795 571987648 /nfs/dbraw/zinc/98/76/48/571987648.db2.gz DSILQXLPJFQHEN-RKDXNWHRSA-N 2 0 186.324 1.181 10 0 ADAERP C[C@H]1C[C@H](C(C)(C)C)[NH2+]CC[NH2+]1 196165135 571987752 /nfs/dbraw/zinc/98/77/52/571987752.db2.gz PMNUDVUTKPIKPH-DTWKUNHWSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]1C[C@@H](C(C)(C)C)[NH2+]CC[NH2+]1 196165145 571987197 /nfs/dbraw/zinc/98/71/97/571987197.db2.gz PMNUDVUTKPIKPH-IUCAKERBSA-N 2 0 170.300 1.373 10 0 ADAERP C1=C([C@@H]2CCC[NH2+]C2)C[C@@H]2[NH2+]CC[C@H]12 687769194 571987282 /nfs/dbraw/zinc/98/72/82/571987282.db2.gz IEOUTGXYTYVHMC-FOGDFJRCSA-N 2 0 192.306 1.294 10 0 ADAERP C1CC[C@H](OC[C@H]2CCCC[NH2+]2)[NH2+]C1 687768312 571987317 /nfs/dbraw/zinc/98/73/17/571987317.db2.gz PDAHTHGHSGTKQM-MNOVXSKESA-N 2 0 198.310 1.245 10 0 ADAERP C1CC[C@@H](S[C@H]2CC[NH2+]C2)[NH2+]C1 687768793 571987344 /nfs/dbraw/zinc/98/73/44/571987344.db2.gz DSILQXLPJFQHEN-DTWKUNHWSA-N 2 0 186.324 1.181 10 0 ADAERP CNc1[nH+]ccn1CC[N@H+](C)C1CC1 234492972 571987410 /nfs/dbraw/zinc/98/74/10/571987410.db2.gz CWQOPVNYKGALNG-UHFFFAOYSA-N 2 0 194.282 1.019 10 0 ADAERP CNc1[nH+]ccn1CCCC[NH+](C)C 234492360 571987507 /nfs/dbraw/zinc/98/75/07/571987507.db2.gz PFTLDDNVTJZICI-UHFFFAOYSA-N 2 0 196.298 1.267 10 0 ADAERP C1=C([C@@H]2CCC[NH2+]C2)C[C@H]2[NH2+]CC[C@@H]12 687769195 571987675 /nfs/dbraw/zinc/98/76/75/571987675.db2.gz IEOUTGXYTYVHMC-HOSYDEDBSA-N 2 0 192.306 1.294 10 0 ADAERP CNc1[nH+]ccn1CC[NH+]1CCCC1 234493048 571987695 /nfs/dbraw/zinc/98/76/95/571987695.db2.gz RQIBUPGOKXAVID-UHFFFAOYSA-N 2 0 194.282 1.021 10 0 ADAERP C1CC[C@H](S[C@@H]2CC[NH2+]C2)[NH2+]C1 687768792 571987824 /nfs/dbraw/zinc/98/78/24/571987824.db2.gz DSILQXLPJFQHEN-BDAKNGLRSA-N 2 0 186.324 1.181 10 0 ADAERP C1=C([C@@H]2CCC[NH2+]C2)C[C@@H]2[NH2+]CC[C@@H]12 687769196 571987894 /nfs/dbraw/zinc/98/78/94/571987894.db2.gz IEOUTGXYTYVHMC-UMNHJUIQSA-N 2 0 192.306 1.294 10 0 ADAERP C1CC[C@H](S[C@H]2CC[NH2+]C2)[NH2+]C1 687768794 571987952 /nfs/dbraw/zinc/98/79/52/571987952.db2.gz DSILQXLPJFQHEN-IUCAKERBSA-N 2 0 186.324 1.181 10 0 ADAERP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@@H]2[C@@H]1CC[NH2+]1 687768759 571988054 /nfs/dbraw/zinc/98/80/54/571988054.db2.gz ARZWUEMDJSJMMV-NAKRPEOUSA-N 2 0 180.295 1.127 10 0 ADAERP C1C[NH2+][C@@H]2CCC[C@H]([C@H]3CC[NH2+]3)[C@@H]2C1 687768773 571988257 /nfs/dbraw/zinc/98/82/57/571988257.db2.gz CJFYVWSQKQDRTE-NNYUYHANSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[NH2+]C[C@H](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 687769208 571988298 /nfs/dbraw/zinc/98/82/98/571988298.db2.gz LYAPUNCREGOEOI-WAAKLRNESA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@H]([C@@H]2CC[C@H]3[NH2+]CC[C@H]3C2)[NH2+]1 687769076 571988902 /nfs/dbraw/zinc/98/89/02/571988902.db2.gz ZYYVNGSXWXEDMP-LMLFDSFASA-N 2 0 180.295 1.127 10 0 ADAERP CNc1[nH+]ccn1CC(C)(C)[NH+](C)C 234491452 571988673 /nfs/dbraw/zinc/98/86/73/571988673.db2.gz XJBHSOGKIASJHV-UHFFFAOYSA-N 2 0 196.298 1.265 10 0 ADAERP C1C[C@@H]2[NH2+]CC[C@@H]2[C@@H]([C@H]2CC[NH2+]2)C1 687768984 571988716 /nfs/dbraw/zinc/98/87/16/571988716.db2.gz QFQVEJPZXZUQJP-ZRUFSTJUSA-N 2 0 180.295 1.127 10 0 ADAERP C1C[C@@H]2[NH2+]CC[C@@H]2[C@H]([C@H]2CC[NH2+]2)C1 687768981 571988726 /nfs/dbraw/zinc/98/87/26/571988726.db2.gz QFQVEJPZXZUQJP-CHWFTXMASA-N 2 0 180.295 1.127 10 0 ADAERP [NH3+]Cc1c(C2CCC2)[nH]c2c1C[NH2+]C2 214658604 571988744 /nfs/dbraw/zinc/98/87/44/571988744.db2.gz UFIAWWYPMONHRT-UHFFFAOYSA-N 2 0 191.278 1.344 10 0 ADAERP C1CC[C@@H]2[NH2+][C@H]([C@@H]3CC[NH2+]3)CC[C@@H]2C1 687768985 571988834 /nfs/dbraw/zinc/98/88/34/571988834.db2.gz RDCFGZYOXYINBF-BJDJZHNGSA-N 2 0 194.322 1.659 10 0 ADAERP C1C[NH2+][C@H]([C@@H]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 687769741 571988945 /nfs/dbraw/zinc/98/89/45/571988945.db2.gz PVKGFKXFXSPCRK-WYUUTHIRSA-N 2 0 194.322 1.517 10 0 ADAERP CNc1[nH+]ccn1CC[N@H+](C)C(C)C 234492955 571988969 /nfs/dbraw/zinc/98/89/69/571988969.db2.gz YIXDDSXDFLWZDT-UHFFFAOYSA-N 2 0 196.298 1.265 10 0 ADAERP C1C[NH2+][C@]2(C1)CC[C@@H]1CC[NH2+]C[C@@H]12 687769388 571989018 /nfs/dbraw/zinc/98/90/18/571989018.db2.gz CCXJVTWMJFEWTC-OUAUKWLOSA-N 2 0 180.295 1.128 10 0 ADAERP C1C[NH2+][C@]2(C1)CC[C@@H]1CC[NH2+]C[C@H]12 687769385 571989285 /nfs/dbraw/zinc/98/92/85/571989285.db2.gz CCXJVTWMJFEWTC-GMTAPVOTSA-N 2 0 180.295 1.128 10 0 ADAERP C1C[NH2+][C@]2(C1)CC[C@H]1CC[NH2+]C[C@@H]12 687769380 571990283 /nfs/dbraw/zinc/99/02/83/571990283.db2.gz CCXJVTWMJFEWTC-GARJFASQSA-N 2 0 180.295 1.128 10 0 ADAERP CC(C)C(C)(C)C[NH+]1CC(CC[NH3+])C1 713175537 571990018 /nfs/dbraw/zinc/99/00/18/571990018.db2.gz NJWDZWXTAWASRV-UHFFFAOYSA-N 2 0 198.354 1.949 10 0 ADAERP Cc1cnc([C@@H]([NH3+])CCC[NH+](C)C)o1 74239360 571990221 /nfs/dbraw/zinc/99/02/21/571990221.db2.gz LBABOKBXXTZZQP-VIFPVBQESA-N 2 0 197.282 1.325 10 0 ADAERP C[NH2+]C[C@@H](C)C[N@H+](C)CCC1CC1 300216327 571990249 /nfs/dbraw/zinc/99/02/49/571990249.db2.gz OAOFDGKHEHOZAA-SNVBAGLBSA-N 2 0 184.327 1.574 10 0 ADAERP C1C[NH2+][C@]2(C1)CC[C@H]1CC[NH2+]C[C@H]12 687769387 571990366 /nfs/dbraw/zinc/99/03/66/571990366.db2.gz CCXJVTWMJFEWTC-HBNTYKKESA-N 2 0 180.295 1.128 10 0 ADAERP C1CC[C@@H]2[NH2+][C@H]([C@H]3CC[NH2+]3)CC[C@@H]2C1 687768988 571990444 /nfs/dbraw/zinc/99/04/44/571990444.db2.gz RDCFGZYOXYINBF-YFKTTZPYSA-N 2 0 194.322 1.659 10 0 ADAERP C1C[NH2+][C@H]([C@@H]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 687769739 571990546 /nfs/dbraw/zinc/99/05/46/571990546.db2.gz PVKGFKXFXSPCRK-RHYQMDGZSA-N 2 0 194.322 1.517 10 0 ADAERP CC(=O)[C@H]1CCC[N@@H+]1CCC(C)(C)[NH3+] 74237025 571990593 /nfs/dbraw/zinc/99/05/93/571990593.db2.gz WCKHOZQSMVMGLW-SNVBAGLBSA-N 2 0 198.310 1.167 10 0 ADAERP C1CC[C@@H]2CC[C@@H]([C@H]3CC[NH2+]3)[NH2+][C@H]2C1 687768986 571990602 /nfs/dbraw/zinc/99/06/02/571990602.db2.gz RDCFGZYOXYINBF-KXNHARMFSA-N 2 0 194.322 1.659 10 0 ADAERP C1C[C@@H]2C[C@H]([C@H]3CC[NH2+]3)CC[C@@H]2[NH2+]1 687769074 571990672 /nfs/dbraw/zinc/99/06/72/571990672.db2.gz ZYYVNGSXWXEDMP-CHWFTXMASA-N 2 0 180.295 1.127 10 0 ADAERP C1C[C@H]2C[C@H]([C@H]3CC[NH2+]3)CC[C@@H]2[NH2+]1 687769077 571990765 /nfs/dbraw/zinc/99/07/65/571990765.db2.gz ZYYVNGSXWXEDMP-VPOLOUISSA-N 2 0 180.295 1.127 10 0 ADAERP C1CC[C@@H]2CC[C@@H]([C@@H]3CC[NH2+]3)[NH2+][C@H]2C1 687768987 571990769 /nfs/dbraw/zinc/99/07/69/571990769.db2.gz RDCFGZYOXYINBF-RHYQMDGZSA-N 2 0 194.322 1.659 10 0 ADAERP CNc1[nH+]ccn1[C@@H](C)CC[NH+](C)C 234497928 571990773 /nfs/dbraw/zinc/99/07/73/571990773.db2.gz LETKRKLZSRGTAZ-VIFPVBQESA-N 2 0 196.298 1.438 10 0 ADAERP C1C[C@@H]2[NH2+]CC[C@@H]2[C@@H]([C@@H]2CC[NH2+]2)C1 687768982 571990819 /nfs/dbraw/zinc/99/08/19/571990819.db2.gz QFQVEJPZXZUQJP-VLEAKVRGSA-N 2 0 180.295 1.127 10 0 ADAERP C1C[NH2+][C@H]([C@@H]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 687769738 571990839 /nfs/dbraw/zinc/99/08/39/571990839.db2.gz PVKGFKXFXSPCRK-NOOOWODRSA-N 2 0 194.322 1.517 10 0 ADAERP CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2[C@@H]1[NH3+] 39104262 571990893 /nfs/dbraw/zinc/99/08/93/571990893.db2.gz NCTGJQCEKGJWIA-IVZWLZJFSA-N 2 0 168.284 1.064 10 0 ADAERP C1C[NH2+][C@H]([C@@H]2CC[C@H]3CC[NH2+][C@H]3C2)C1 687769806 571991026 /nfs/dbraw/zinc/99/10/26/571991026.db2.gz YUYQMTMPWBUXKU-USZNOCQGSA-N 2 0 194.322 1.517 10 0 ADAERP C(=C\[C@@H]1CCCC[NH2+]1)\C1CC[NH2+]CC1 687770312 571991033 /nfs/dbraw/zinc/99/10/33/571991033.db2.gz SEDRYDNKHBFFGH-RXNFCKPNSA-N 2 0 194.322 1.684 10 0 ADAERP C1C[NH2+][C@H]([C@@H]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 687769807 571991311 /nfs/dbraw/zinc/99/13/11/571991311.db2.gz YUYQMTMPWBUXKU-WHOHXGKFSA-N 2 0 194.322 1.517 10 0 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170.300 1.470 10 0 ADAERP CC[C@@H](N)[C@@H](C)[N@H+](CC)CC1CC1 68946719 572004611 /nfs/dbraw/zinc/00/46/11/572004611.db2.gz VYVRGUVGPLVBAZ-MWLCHTKSSA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](CC[NH2+]C2CCC2)C1 393452067 572004830 /nfs/dbraw/zinc/00/48/30/572004830.db2.gz UFAIJKHCBUIVKH-VHSXEESVSA-N 2 0 182.311 1.646 10 0 ADAERP CC[N@H+](CCC[C@H](C)[NH3+])CC1CC1 68946747 572004871 /nfs/dbraw/zinc/00/48/71/572004871.db2.gz SUAQBLZCSPDZBK-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](CC[NH3+])[N@H+](CC)CC1CC1 68946346 572004922 /nfs/dbraw/zinc/00/49/22/572004922.db2.gz DVYIWONPGRYWFJ-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](CC1CC1)[C@H](C)[C@@H](C)N 68946887 572005076 /nfs/dbraw/zinc/00/50/76/572005076.db2.gz GDZLGGJNNZIAHA-RKDXNWHRSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[C@@]1(C[NH2+][C@@H]2C[C@H]2C)CC[NH2+]C1 300223760 572005111 /nfs/dbraw/zinc/00/51/11/572005111.db2.gz GZLPEKOCKKXVFB-UTUOFQBUSA-N 2 0 196.338 1.620 10 0 ADAERP 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/nfs/dbraw/zinc/00/58/52/572005852.db2.gz GZLPEKOCKKXVFB-WOPDTQHZSA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)[C@]1(C[NH2+][C@@H]2C[C@H]2C)CC[NH2+]C1 300223759 572005820 /nfs/dbraw/zinc/00/58/20/572005820.db2.gz GZLPEKOCKKXVFB-IJLUTSLNSA-N 2 0 196.338 1.620 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1N 68946667 572006059 /nfs/dbraw/zinc/00/60/59/572006059.db2.gz KCJOZQROHUUUJP-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 68946370 572006076 /nfs/dbraw/zinc/00/60/76/572006076.db2.gz CJGNXZBUJIHSFU-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP CCN(CC1CC1)[C@@H]1CCC[C@@H]1[NH2+]C 68946805 572006156 /nfs/dbraw/zinc/00/61/56/572006156.db2.gz DIEPZTFEISPFPL-NWDGAFQWSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CCCC[C@@H]1N 68946713 572006215 /nfs/dbraw/zinc/00/62/15/572006215.db2.gz ZNGUQWNXFQLOPL-NWDGAFQWSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+]C1CCCCC1 34632773 572006435 /nfs/dbraw/zinc/00/64/35/572006435.db2.gz JLRCKFYJDYYXQL-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CC[N@H+](CC1CC1)C1CCC([NH3+])CC1 68947205 572006977 /nfs/dbraw/zinc/00/69/77/572006977.db2.gz NIKIPIVAHFJYGY-UHFFFAOYSA-N 2 0 196.338 1.988 10 0 ADAERP CC(C)C[NH2+]CC[C@H](C)CC[NH3+] 393448069 572007027 /nfs/dbraw/zinc/00/70/27/572007027.db2.gz JFSVIURAIACCGW-SNVBAGLBSA-N 2 0 172.316 1.607 10 0 ADAERP CCCCC1CCN(CC[NH3+])CC1 114184612 572007541 /nfs/dbraw/zinc/00/75/41/572007541.db2.gz LOXPHBYKWOWAMF-UHFFFAOYSA-N 2 0 184.327 1.847 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]C1CCCCC1 34632772 572007179 /nfs/dbraw/zinc/00/71/79/572007179.db2.gz JLRCKFYJDYYXQL-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP COc1c[nH+]c(C)cc1NCCC[NH3+] 234940562 572008049 /nfs/dbraw/zinc/00/80/49/572008049.db2.gz JCHOHBKLKJJKRM-UHFFFAOYSA-N 2 0 195.266 1.159 10 0 ADAERP CNc1[nH+]c(C)cn1C[C@H](C)[NH+](C)C 234509108 572007997 /nfs/dbraw/zinc/00/79/97/572007997.db2.gz CRJUUDDRCNTWSC-VIFPVBQESA-N 2 0 196.298 1.183 10 0 ADAERP C[C@H]1CCC[NH2+][C@@H]1C[NH2+]C[C@H]1C[C@H]1C 300227594 572007928 /nfs/dbraw/zinc/00/79/28/572007928.db2.gz DSZGTKJCHSUHBJ-IRCOFANPSA-N 2 0 196.338 1.620 10 0 ADAERP CCC[C@]1(C[NH2+][C@H]2C[C@H]2C)CCC[NH2+]1 300225580 572008125 /nfs/dbraw/zinc/00/81/25/572008125.db2.gz SRZIEJUVWSJIOM-GRYCIOLGSA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)c1c[nH]c(C[C@H]2CCC[NH2+]2)n1 42172543 572008423 /nfs/dbraw/zinc/00/84/23/572008423.db2.gz ZCVSGMMBIIOBNB-SECBINFHSA-N 2 0 193.294 1.828 10 0 ADAERP C[C@H]1CCC[C@H](C)[NH+]1CCCC(N)=[NH2+] 34689370 572008738 /nfs/dbraw/zinc/00/87/38/572008738.db2.gz NOAMPWKAWMYMOJ-UWVGGRQHSA-N 2 0 197.326 1.965 10 0 ADAERP CC(C)CC[N@H+](C)C[C@H](C)C[NH3+] 42308444 572009325 /nfs/dbraw/zinc/00/93/25/572009325.db2.gz BEKTYRAMMMHNNA-SNVBAGLBSA-N 2 0 172.316 1.559 10 0 ADAERP CC[N@H+](CCC[NH3+])CCC(C)C 34960285 572009369 /nfs/dbraw/zinc/00/93/69/572009369.db2.gz ZQAPGGBRHBUBIB-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP CCC[N@H+](CCC[NH3+])CC(C)C 34960338 572009489 /nfs/dbraw/zinc/00/94/89/572009489.db2.gz BSSNPWCAVGDVMX-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP C[C@H](CC[NH3+])CC[N@H+](C)C1CC1 393449426 572009631 /nfs/dbraw/zinc/00/96/31/572009631.db2.gz KITZLFAGRCTHMS-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)CC[N@H+](C)C[C@@H](C)C[NH3+] 42308442 572010491 /nfs/dbraw/zinc/01/04/91/572010491.db2.gz BEKTYRAMMMHNNA-JTQLQIEISA-N 2 0 172.316 1.559 10 0 ADAERP CC[N@H+](CCC[NH3+])Cc1ccncc1 34960296 572010856 /nfs/dbraw/zinc/01/08/56/572010856.db2.gz QMPAYDATDCLEMS-UHFFFAOYSA-N 2 0 193.294 1.252 10 0 ADAERP C[C@@H](CC[NH3+])CC[N@H+](C)C1CC1 393449430 572011309 /nfs/dbraw/zinc/01/13/09/572011309.db2.gz KITZLFAGRCTHMS-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CCC[N@H+](CCC[NH3+])C(C)C 34960347 572011358 /nfs/dbraw/zinc/01/13/58/572011358.db2.gz BTVVPGMENIYJBA-UHFFFAOYSA-N 2 0 158.289 1.456 10 0 ADAERP CC[N@H+](CC1CC1)C[C@@H]1CCC[C@@H]1[NH3+] 68948352 572011715 /nfs/dbraw/zinc/01/17/15/572011715.db2.gz BQZBDVCJEKBJBB-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CC[N@H+](CC1CC1)C[C@H]1C[NH2+]C[C@@H]1C 68947643 572011878 /nfs/dbraw/zinc/01/18/78/572011878.db2.gz VJSVZRBYIZJMRM-CMPLNLGQSA-N 2 0 196.338 1.574 10 0 ADAERP CC[N@H+](CC1CC1)CC(C)(C)C[NH3+] 68948335 572011938 /nfs/dbraw/zinc/01/19/38/572011938.db2.gz BWZMTKICRBTREY-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP CNc1[nH+]c(C)cn1[C@@H](C)C[NH+](C)C 234512865 572012020 /nfs/dbraw/zinc/01/20/20/572012020.db2.gz CKISNLYPCIPFRV-VIFPVBQESA-N 2 0 196.298 1.356 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]C[C@@H]1CCC[C@H]1C 300231464 572012353 /nfs/dbraw/zinc/01/23/53/572012353.db2.gz CMGDETAMBFCXQZ-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP CC[N@H+](CC1CC1)CC(C)(C)C[NH2+]C 68948426 572012400 /nfs/dbraw/zinc/01/24/00/572012400.db2.gz AVWQKQTUNPPPRM-UHFFFAOYSA-N 2 0 198.354 1.964 10 0 ADAERP CC[N@H+](CC[C@H]1CCC[NH2+]1)CC1CC1 68947673 572012692 /nfs/dbraw/zinc/01/26/92/572012692.db2.gz FHDQTXLGTVQXNK-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@@H]1C 68947642 572012857 /nfs/dbraw/zinc/01/28/57/572012857.db2.gz VJSVZRBYIZJMRM-JQWIXIFHSA-N 2 0 196.338 1.574 10 0 ADAERP [NH3+]CCCC[NH2+]CCCC1CC1 81969367 572012893 /nfs/dbraw/zinc/01/28/93/572012893.db2.gz JIRXJJDFMFPOJZ-UHFFFAOYSA-N 2 0 170.300 1.505 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]C[C@H]1CCC[C@H]1C 300231463 572012919 /nfs/dbraw/zinc/01/29/19/572012919.db2.gz CMGDETAMBFCXQZ-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H](C)CC(N)=[NH2+] 68947268 572012992 /nfs/dbraw/zinc/01/29/92/572012992.db2.gz DKUBSNQPPCCRQZ-QMMMGPOBSA-N 2 0 183.299 1.433 10 0 ADAERP CC[N@H+](CC[C@@H]1CCC[NH2+]1)CC1CC1 68947671 572013014 /nfs/dbraw/zinc/01/30/14/572013014.db2.gz FHDQTXLGTVQXNK-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](CCCC[NH2+]C)CC1CC1 68947636 572013489 /nfs/dbraw/zinc/01/34/89/572013489.db2.gz XNUIGSOTTFWBDN-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@H+](CC)CC1CC1 68947273 572014008 /nfs/dbraw/zinc/01/40/08/572014008.db2.gz GEVMLOLQNHITQJ-SNVBAGLBSA-N 2 0 197.326 1.823 10 0 ADAERP CC[N@H+](CCCC(N)=[NH2+])CC1CC1 68947269 572014261 /nfs/dbraw/zinc/01/42/61/572014261.db2.gz NCFQLJOZRBMMME-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP CCC(C)(C)[N@H+](C)CCCC[NH3+] 68994847 572014951 /nfs/dbraw/zinc/01/49/51/572014951.db2.gz MQXCCWGDTRFLGY-UHFFFAOYSA-N 2 0 172.316 1.846 10 0 ADAERP C[NH+]1CCC(C[NH3+])(c2ccco2)CC1 33487121 572015068 /nfs/dbraw/zinc/01/50/68/572015068.db2.gz AVQDWVUCOOBCSP-UHFFFAOYSA-N 2 0 194.278 1.202 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC1(C)CC1 235578560 572015118 /nfs/dbraw/zinc/01/51/18/572015118.db2.gz NDLGQNUEBQKSJV-VHSXEESVSA-N 2 0 182.311 1.232 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@H](C)C[NH2+]C 68948617 572015237 /nfs/dbraw/zinc/01/52/37/572015237.db2.gz KYXFCNSLBFYOGA-SNVBAGLBSA-N 2 0 184.327 1.574 10 0 ADAERP CCC[C@@H](C[NH2+]CCCC[NH3+])OC 393453209 572016068 /nfs/dbraw/zinc/01/60/68/572016068.db2.gz YIOJXWNMFOJSRN-JTQLQIEISA-N 2 0 188.315 1.130 10 0 ADAERP C[NH+](C)Cc1ccc(C(C)(C)[NH3+])cc1 33487317 572015760 /nfs/dbraw/zinc/01/57/60/572015760.db2.gz CUZTUOJHWQNLRX-UHFFFAOYSA-N 2 0 192.306 1.942 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H](C)CCC[NH3+] 68948641 572015793 /nfs/dbraw/zinc/01/57/93/572015793.db2.gz MFNSEDQQRVKGHN-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@H](C)C[NH3+] 68994979 572015835 /nfs/dbraw/zinc/01/58/35/572015835.db2.gz DMMOZZPUDQYUKR-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@H](C[NH3+])CC(C)(C)C 300235869 572016084 /nfs/dbraw/zinc/01/60/84/572016084.db2.gz GRTHUCWAEHZGQX-VWYCJHECSA-N 2 0 198.354 1.996 10 0 ADAERP CCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 42427351 572015853 /nfs/dbraw/zinc/01/58/53/572015853.db2.gz SSEKCXGZNFLPIB-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)C1CCCCC1 35221555 572015917 /nfs/dbraw/zinc/01/59/17/572015917.db2.gz IDYZVBJSNOOFTB-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 42427352 572016033 /nfs/dbraw/zinc/01/60/33/572016033.db2.gz SSEKCXGZNFLPIB-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@H](C[NH2+]CCCC[NH3+])OC 393453211 572016189 /nfs/dbraw/zinc/01/61/89/572016189.db2.gz YIOJXWNMFOJSRN-SNVBAGLBSA-N 2 0 188.315 1.130 10 0 ADAERP C[NH+](C)Cc1cccc(C(C)(C)[NH3+])c1 33487314 572016230 /nfs/dbraw/zinc/01/62/30/572016230.db2.gz QCEJODDMEKZJGZ-UHFFFAOYSA-N 2 0 192.306 1.942 10 0 ADAERP [NH3+]CCC[NH2+]CCC1CCCC1 82202149 572016249 /nfs/dbraw/zinc/01/62/49/572016249.db2.gz MCMACKUHDGUZIQ-UHFFFAOYSA-N 2 0 170.300 1.505 10 0 ADAERP CCC(C)(C)[N@H+](C)[C@H](C)CC[NH3+] 68994910 572016262 /nfs/dbraw/zinc/01/62/62/572016262.db2.gz LGJAQFIGSIBWHW-SECBINFHSA-N 2 0 172.316 1.844 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@@H](C)C[NH3+] 68994974 572016730 /nfs/dbraw/zinc/01/67/30/572016730.db2.gz DMMOZZPUDQYUKR-VIFPVBQESA-N 2 0 172.316 1.702 10 0 ADAERP CC[N@H+](CC1CC1)[C@H](C)CCC[NH3+] 68948642 572016768 /nfs/dbraw/zinc/01/67/68/572016768.db2.gz MFNSEDQQRVKGHN-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](CC1CC1)[C@H](C)CC[NH2+]C 68948656 572017056 /nfs/dbraw/zinc/01/70/56/572017056.db2.gz SYMHLYVICNXKEN-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC1(C)CCC1 235578575 572017081 /nfs/dbraw/zinc/01/70/81/572017081.db2.gz QAVDDVYLEIWLIA-WDEREUQCSA-N 2 0 196.338 1.622 10 0 ADAERP CC(C)CC[N@H+](C)[C@H](C)CC[NH3+] 42456456 572017284 /nfs/dbraw/zinc/01/72/84/572017284.db2.gz HQMJZECVYZUOHX-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@H]1CC[NH2+]C1 68998315 572017375 /nfs/dbraw/zinc/01/73/75/572017375.db2.gz TZLYYKWGAGTWLB-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])C1 300237923 572017392 /nfs/dbraw/zinc/01/73/92/572017392.db2.gz GFKRMKXZJSYWLT-RYUDHWBXSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+]C[C@H](C)C1CC1 393457832 572017690 /nfs/dbraw/zinc/01/76/90/572017690.db2.gz QSXHWEDCBXHGLA-MNOVXSKESA-N 2 0 198.354 1.997 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@@H]1CC[NH2+]C1 68998312 572018032 /nfs/dbraw/zinc/01/80/32/572018032.db2.gz TZLYYKWGAGTWLB-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@H+](CC1CCC1)[C@H]1CC[C@H]1C[NH3+] 300238186 572018039 /nfs/dbraw/zinc/01/80/39/572018039.db2.gz KTPQLCSNCRBKPM-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CCC(C)(C)[N@H+](C)CCCC(N)=[NH2+] 68998854 572018045 /nfs/dbraw/zinc/01/80/45/572018045.db2.gz MOQPRBFKOAWEHI-UHFFFAOYSA-N 2 0 185.315 1.823 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 68998945 572018160 /nfs/dbraw/zinc/01/81/60/572018160.db2.gz HATTVQSTVWDWAA-MRVPVSSYSA-N 2 0 185.315 1.679 10 0 ADAERP CC[N@H+](CC1CCC1)[C@@H]1CC[C@H]([NH3+])C1 300237922 572018265 /nfs/dbraw/zinc/01/82/65/572018265.db2.gz GFKRMKXZJSYWLT-NWDGAFQWSA-N 2 0 196.338 1.988 10 0 ADAERP CCC1CC[NH+](C2CC[NH2+]CC2)CC1 42446897 572018368 /nfs/dbraw/zinc/01/83/68/572018368.db2.gz AWUFPLNLHBCAID-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CCC(C)(C)[N@H+](C)CCC[NH2+]C 68997268 572019239 /nfs/dbraw/zinc/01/92/39/572019239.db2.gz ABMWKVZTJQJBJG-UHFFFAOYSA-N 2 0 172.316 1.716 10 0 ADAERP CC(C)CC[N@H+](C)[C@@H](C)CC[NH3+] 42456454 572018842 /nfs/dbraw/zinc/01/88/42/572018842.db2.gz HQMJZECVYZUOHX-JTQLQIEISA-N 2 0 172.316 1.702 10 0 ADAERP C[C@H](C[NH2+]CC[C@H](C)CC[NH3+])C1CC1 393457831 572019262 /nfs/dbraw/zinc/01/92/62/572019262.db2.gz QSXHWEDCBXHGLA-GHMZBOCLSA-N 2 0 198.354 1.997 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH2+]C[C@H](C)C1CC1 393457833 572019072 /nfs/dbraw/zinc/01/90/72/572019072.db2.gz QSXHWEDCBXHGLA-QWRGUYRKSA-N 2 0 198.354 1.997 10 0 ADAERP CC[N@H+](CC1CCC1)[C@@H]1CC[C@H]1C[NH3+] 300238185 572019228 /nfs/dbraw/zinc/01/92/28/572019228.db2.gz KTPQLCSNCRBKPM-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP CNc1[nH+]c(C)cn1[C@H](C)C[NH+](C)C 234517680 572019351 /nfs/dbraw/zinc/01/93/51/572019351.db2.gz CKISNLYPCIPFRV-SECBINFHSA-N 2 0 196.298 1.356 10 0 ADAERP CCC(C)(C)[N@H+](C)[C@@H](C)CC(N)=[NH2+] 68998906 572019413 /nfs/dbraw/zinc/01/94/13/572019413.db2.gz AFYYYCJRCZWTDQ-QMMMGPOBSA-N 2 0 185.315 1.821 10 0 ADAERP CCC(C)(C)[N@H+](C)CC[C@@H](C)[NH3+] 68996482 572019456 /nfs/dbraw/zinc/01/94/56/572019456.db2.gz KKJMCKURUMEPFW-SECBINFHSA-N 2 0 172.316 1.844 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C=CCCC2)C1 234374460 572019482 /nfs/dbraw/zinc/01/94/82/572019482.db2.gz ILRFTYBFCPNAIT-NWDGAFQWSA-N 2 0 194.322 1.636 10 0 ADAERP CC[C@H]([NH3+])C[N@H+](C)CCC(C)C 42457902 572019745 /nfs/dbraw/zinc/01/97/45/572019745.db2.gz JTYHJWFOJYQYPA-JTQLQIEISA-N 2 0 172.316 1.702 10 0 ADAERP C[C@H](CC[NH3+])CC[N@H+](C)C[C@@H]1C[C@H]1C 393464367 572020630 /nfs/dbraw/zinc/02/06/30/572020630.db2.gz VKBKWJBECJNNGY-UTUOFQBUSA-N 2 0 198.354 1.949 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 69015534 572020644 /nfs/dbraw/zinc/02/06/44/572020644.db2.gz HHMWDUKDQZQNIC-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP CCOCC[N@H+](CCC[NH3+])C(C)C 35358877 572020742 /nfs/dbraw/zinc/02/07/42/572020742.db2.gz RTSASLBGPXURPH-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP C[C@@H]1CCC[C@H]1C[NH2+]C[C@H]1CCC[NH2+]1 300242898 572021019 /nfs/dbraw/zinc/02/10/19/572021019.db2.gz QIRHPJPSARNQON-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H](CC[NH3+])CC[N@H+](C)C[C@H]1C[C@H]1C 393463860 572021024 /nfs/dbraw/zinc/02/10/24/572021024.db2.gz VKBKWJBECJNNGY-IJLUTSLNSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[N@H+](CCC[NH3+])CCOCC 35358876 572021133 /nfs/dbraw/zinc/02/11/33/572021133.db2.gz RXBDMZWJTLCKLG-UHFFFAOYSA-N 2 0 188.315 1.084 10 0 ADAERP C[C@H]1CC[NH2+][C@H](C(C)(C)[NH3+])C1 687774655 572021330 /nfs/dbraw/zinc/02/13/30/572021330.db2.gz HEJFFZVFSPBULY-YUMQZZPRSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]1C[C@@H]1C[N@@H+](C)CC[C@H](C)CC[NH3+] 393463858 572021508 /nfs/dbraw/zinc/02/15/08/572021508.db2.gz VKBKWJBECJNNGY-GRYCIOLGSA-N 2 0 198.354 1.949 10 0 ADAERP CC[NH2+][C@H](C)[C@@H](F)[C@H](C[NH3+])C(C)C 300241682 572021791 /nfs/dbraw/zinc/02/17/91/572021791.db2.gz KCAQATYIAKZVJU-OPRDCNLKSA-N 2 0 190.306 1.553 10 0 ADAERP [NH2+]=c1cc[nH]cc1CC1([NH3+])CCCC1 687774888 572021879 /nfs/dbraw/zinc/02/18/79/572021879.db2.gz VDHMPRVMAZTIAH-UHFFFAOYSA-N 2 0 191.278 1.308 10 0 ADAERP C[C@H]1C[C@H]1C[N@@H+](C)CC[C@H](C)CC[NH3+] 393464372 572021975 /nfs/dbraw/zinc/02/19/75/572021975.db2.gz VKBKWJBECJNNGY-WOPDTQHZSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H](C(C)(C)[NH3+])C1 687774652 572022254 /nfs/dbraw/zinc/02/22/54/572022254.db2.gz HEJFFZVFSPBULY-HTQZYQBOSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]1CC[NH2+][C@@H](C(C)(C)[NH3+])C1 687774653 572022997 /nfs/dbraw/zinc/02/29/97/572022997.db2.gz HEJFFZVFSPBULY-JGVFFNPUSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH2+]C[C@H]2CCC[NH2+]2)C1 300244533 572023537 /nfs/dbraw/zinc/02/35/37/572023537.db2.gz XYNPIPJGWHPEBJ-IJLUTSLNSA-N 2 0 196.338 1.764 10 0 ADAERP CCCC[N@H+](CCC(N)=[NH2+])C1CC1 42490485 572023600 /nfs/dbraw/zinc/02/36/00/572023600.db2.gz MNJDMMVKFKQTGO-UHFFFAOYSA-N 2 0 183.299 1.577 10 0 ADAERP CC[N@@H+]1CC[C@@H](CC[C@H](C)[NH3+])C1 250207403 572023690 /nfs/dbraw/zinc/02/36/90/572023690.db2.gz CDVCERAVIWLSMY-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)CC[C@@H]1CCC[NH2+]CC1 167935687 572023855 /nfs/dbraw/zinc/02/38/55/572023855.db2.gz FNPSZGWMFCOFBX-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP CC[N@@H+]1CC[C@H](CC[C@H](C)[NH3+])C1 250207399 572023897 /nfs/dbraw/zinc/02/38/97/572023897.db2.gz CDVCERAVIWLSMY-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H]1CC[C@H](C[NH2+]C[C@H]2CCC[NH2+]2)C1 300244531 572024139 /nfs/dbraw/zinc/02/41/39/572024139.db2.gz XYNPIPJGWHPEBJ-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP CCC(CC)CN(CC)CC(N)=[NH2+] 42502965 572024279 /nfs/dbraw/zinc/02/42/79/572024279.db2.gz XFKDHOPRQLYVHE-UHFFFAOYSA-N 2 0 185.315 1.680 10 0 ADAERP CC(C)[C@H](C[NH3+])[C@H](F)[C@H]1CCC[NH2+]1 300244783 572024861 /nfs/dbraw/zinc/02/48/61/572024861.db2.gz ZZYIJPSBDZXQGM-AEJSXWLSSA-N 2 0 188.290 1.307 10 0 ADAERP CC(C)[C@H](C[NH3+])[C@@H](F)[C@H]1CCC[NH2+]1 300244784 572024863 /nfs/dbraw/zinc/02/48/63/572024863.db2.gz ZZYIJPSBDZXQGM-IVZWLZJFSA-N 2 0 188.290 1.307 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH+]1CC=CC1 393469035 572025160 /nfs/dbraw/zinc/02/51/60/572025160.db2.gz YOHQABQCPASMMV-JTQLQIEISA-N 2 0 168.284 1.233 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH2+]C[C@H]1CC1(C)C 393467604 572025397 /nfs/dbraw/zinc/02/53/97/572025397.db2.gz XQFSLBJGRSMNMZ-WDEREUQCSA-N 2 0 198.354 1.997 10 0 ADAERP CC[C@H]([NH3+])CC[NH+]1C[C@@H]2CCC[C@H]2C1 251091541 572025647 /nfs/dbraw/zinc/02/56/47/572025647.db2.gz OTILDYBYINTHEG-SRVKXCTJSA-N 2 0 196.338 1.846 10 0 ADAERP CCC[N@@H+](CC1CC1)C[C@H](C)C[NH3+] 35452190 572025823 /nfs/dbraw/zinc/02/58/23/572025823.db2.gz VNDCLXJAJRHGAS-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[N@@H+](CC1CC1)C[C@@H](C)C[NH3+] 35452187 572025943 /nfs/dbraw/zinc/02/59/43/572025943.db2.gz VNDCLXJAJRHGAS-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H](CC[NH3+])CC[NH+]1CC=CC1 393469039 572026227 /nfs/dbraw/zinc/02/62/27/572026227.db2.gz YOHQABQCPASMMV-SNVBAGLBSA-N 2 0 168.284 1.233 10 0 ADAERP CCCCCC[C@](C)([NH3+])C[NH3+] 35676955 572027070 /nfs/dbraw/zinc/02/70/70/572027070.db2.gz TYDDNYFWVPPEOV-VIFPVBQESA-N 2 0 158.289 1.633 10 0 ADAERP CC[C@@H](C)C[C@]([NH3+])(CC)C[NH3+] 35676994 572027093 /nfs/dbraw/zinc/02/70/93/572027093.db2.gz LGGMEIGTWGHYFB-RKDXNWHRSA-N 2 0 158.289 1.489 10 0 ADAERP Cc1nc(CC[NH+](C)C)sc1C[NH3+] 82421780 572027626 /nfs/dbraw/zinc/02/76/26/572027626.db2.gz GMELAIVKOVWWJG-UHFFFAOYSA-N 2 0 199.323 1.014 10 0 ADAERP C[N@@H+]1[C@H]2CC[C@@H]1CC(=CC[NH3+])C2 69049750 572027791 /nfs/dbraw/zinc/02/77/91/572027791.db2.gz PDKXJWIOCJCVKW-AOOOYVTPSA-N 2 0 166.268 1.128 10 0 ADAERP CC[C@H](C)C[C@@]([NH3+])(CC)C[NH3+] 35676993 572028030 /nfs/dbraw/zinc/02/80/30/572028030.db2.gz LGGMEIGTWGHYFB-IUCAKERBSA-N 2 0 158.289 1.489 10 0 ADAERP C[N@@H+]1[C@H]2CC[C@@H]1CC(=CCC[NH3+])C2 69050470 572029131 /nfs/dbraw/zinc/02/91/31/572029131.db2.gz ULWUPWWWOFPFOA-PHIMTYICSA-N 2 0 180.295 1.518 10 0 ADAERP CCC[NH2+][C@@H]1CCN([C@@H](C)C2CC2)C1 35733646 572029739 /nfs/dbraw/zinc/02/97/39/572029739.db2.gz GPJCYOHGMMJWSQ-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1CCCC[C@]1([NH3+])C1C[NH2+]C1 687775725 572029794 /nfs/dbraw/zinc/02/97/94/572029794.db2.gz LFMFSMYOGFDJCS-PSASIEDQSA-N 2 0 168.284 1.113 10 0 ADAERP CCC1CCC([NH3+])(C2C[NH2+]C2)CC1 687775711 572029871 /nfs/dbraw/zinc/02/98/71/572029871.db2.gz JPMGITYIESMAIE-UHFFFAOYSA-N 2 0 182.311 1.504 10 0 ADAERP CCCC1CCC([NH3+])(C2C[NH2+]C2)CC1 687775736 572029941 /nfs/dbraw/zinc/02/99/41/572029941.db2.gz MDRKCRBEBWVWNS-UHFFFAOYSA-N 2 0 196.338 1.894 10 0 ADAERP CC[NH+](CC)CC[C@]1(F)CC[NH2+]C1 219686528 572029983 /nfs/dbraw/zinc/02/99/83/572029983.db2.gz LFJWRCBBYHMONR-SNVBAGLBSA-N 2 0 188.290 1.420 10 0 ADAERP C[C@@H]1CCCC[C@@]1([NH3+])C1C[NH2+]C1 687775726 572029995 /nfs/dbraw/zinc/02/99/95/572029995.db2.gz LFMFSMYOGFDJCS-SCZZXKLOSA-N 2 0 168.284 1.113 10 0 ADAERP C[C@H]1CCCC[C@@]1([NH3+])C1C[NH2+]C1 687775728 572030079 /nfs/dbraw/zinc/03/00/79/572030079.db2.gz LFMFSMYOGFDJCS-WPRPVWTQSA-N 2 0 168.284 1.113 10 0 ADAERP CCC[NH2+][C@H]1CCN([C@@H](C)C2CC2)C1 35733647 572030106 /nfs/dbraw/zinc/03/01/06/572030106.db2.gz GPJCYOHGMMJWSQ-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1CCCC[C@]1([NH3+])C1C[NH2+]C1 687775727 572030133 /nfs/dbraw/zinc/03/01/33/572030133.db2.gz LFMFSMYOGFDJCS-WCBMZHEXSA-N 2 0 168.284 1.113 10 0 ADAERP CC[NH+](CC)CC[C@@]1(F)CC[NH2+]C1 219686608 572030949 /nfs/dbraw/zinc/03/09/49/572030949.db2.gz LFJWRCBBYHMONR-JTQLQIEISA-N 2 0 188.290 1.420 10 0 ADAERP CCCCC[N@H+](CCC(N)=[NH2+])C1CC1 42547809 572031351 /nfs/dbraw/zinc/03/13/51/572031351.db2.gz VVEDGZBFPPCADD-UHFFFAOYSA-N 2 0 197.326 1.967 10 0 ADAERP CC[N@H+](CC[C@@H](C)[NH3+])C1CCCC1 35765801 572032275 /nfs/dbraw/zinc/03/22/75/572032275.db2.gz PUUIGTHUQXUVAZ-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC[N@H+](CCCC(N)=[NH2+])C1CCCC1 35766297 572032314 /nfs/dbraw/zinc/03/23/14/572032314.db2.gz JUNSMESZXKDDIL-UHFFFAOYSA-N 2 0 197.326 1.967 10 0 ADAERP CC[C@H](C)C1([NH3+])CC[NH+](CC)CC1 687701129 572032889 /nfs/dbraw/zinc/03/28/89/572032889.db2.gz DALOVOILERSPFJ-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](CCCC[NH3+])C1CCCC1 35765228 572033087 /nfs/dbraw/zinc/03/30/87/572033087.db2.gz RLQJOMUPXJRUDB-UHFFFAOYSA-N 2 0 184.327 1.990 10 0 ADAERP CC[C@H](CC[NH3+])[N@H+](C)Cc1ccco1 35700883 572033130 /nfs/dbraw/zinc/03/31/30/572033130.db2.gz QHTGWGQKCYIJFC-SNVBAGLBSA-N 2 0 196.294 1.839 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)Cc1ccsc1 35725090 572033208 /nfs/dbraw/zinc/03/32/08/572033208.db2.gz DRXZYYACNRFVJT-SECBINFHSA-N 2 0 198.335 1.775 10 0 ADAERP CC[C@@H](C)[N@H+](CCC(N)=[NH2+])C1CC1 42548030 572033260 /nfs/dbraw/zinc/03/32/60/572033260.db2.gz QABONSNMYANVAM-MRVPVSSYSA-N 2 0 183.299 1.575 10 0 ADAERP CSCC[N@@H+]1CC[C@](C)(C[NH3+])C1 235031195 572033391 /nfs/dbraw/zinc/03/33/91/572033391.db2.gz OLIVWPGPMWUODQ-SECBINFHSA-N 2 0 188.340 1.020 10 0 ADAERP CC[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 35731398 572033494 /nfs/dbraw/zinc/03/34/94/572033494.db2.gz CDKLRIUMCQEDNS-GFCCVEGCSA-N 2 0 192.306 1.681 10 0 ADAERP C[C@@H](C[NH3+])C[N@H+](C)Cc1cccs1 35725553 572033906 /nfs/dbraw/zinc/03/39/06/572033906.db2.gz QZZSKCLQJWFJJO-VIFPVBQESA-N 2 0 198.335 1.775 10 0 ADAERP CC[N@H+](C)C[C@H](C[NH3+])c1ccccc1 35731399 572034088 /nfs/dbraw/zinc/03/40/88/572034088.db2.gz CDKLRIUMCQEDNS-LBPRGKRZSA-N 2 0 192.306 1.681 10 0 ADAERP CC[C@@H](C)C1([NH3+])CC[NH+](CC)CC1 687701130 572034349 /nfs/dbraw/zinc/03/43/49/572034349.db2.gz DALOVOILERSPFJ-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)Cc1cccs1 35725554 572034462 /nfs/dbraw/zinc/03/44/62/572034462.db2.gz QZZSKCLQJWFJJO-SECBINFHSA-N 2 0 198.335 1.775 10 0 ADAERP CC[N@H+](C[C@H](C)C[NH3+])C1CCCC1 35765220 572034569 /nfs/dbraw/zinc/03/45/69/572034569.db2.gz DJJROTBCFWCRNV-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](CC[C@H](C)[NH3+])C1CCCC1 35765802 572034929 /nfs/dbraw/zinc/03/49/29/572034929.db2.gz PUUIGTHUQXUVAZ-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC[N@H+](CCC(N)=[NH2+])C1CCCC1 35766298 572034778 /nfs/dbraw/zinc/03/47/78/572034778.db2.gz VGICAZSZGDANKV-UHFFFAOYSA-N 2 0 183.299 1.577 10 0 ADAERP C[C@@H](C[NH3+])C[N@H+](C)Cc1ccsc1 35725088 572034882 /nfs/dbraw/zinc/03/48/82/572034882.db2.gz DRXZYYACNRFVJT-VIFPVBQESA-N 2 0 198.335 1.775 10 0 ADAERP CC[N@H+](C[C@@H](C)C(N)=[NH2+])C1CCCC1 35766292 572035182 /nfs/dbraw/zinc/03/51/82/572035182.db2.gz VPKVWQLBUDDKPV-SECBINFHSA-N 2 0 197.326 1.823 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](C)Cc1ccco1 35700880 572035723 /nfs/dbraw/zinc/03/57/23/572035723.db2.gz QHTGWGQKCYIJFC-JTQLQIEISA-N 2 0 196.294 1.839 10 0 ADAERP C[N@H+](CCCC[NH3+])Cc1cccs1 35717795 572035292 /nfs/dbraw/zinc/03/52/92/572035292.db2.gz BGXBQPSVYXFVAF-UHFFFAOYSA-N 2 0 198.335 1.919 10 0 ADAERP CC[N@H+](C[C@@H](C)C[NH3+])C1CCCC1 35765218 572035715 /nfs/dbraw/zinc/03/57/15/572035715.db2.gz DJJROTBCFWCRNV-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP Cc1ccc(C[NH2+]CCC[NH3+])cc1F 82503510 572035882 /nfs/dbraw/zinc/03/58/82/572035882.db2.gz KZTAKAMWLFPDLM-UHFFFAOYSA-N 2 0 196.269 1.573 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]CC1(C)CCC1 235590676 572036809 /nfs/dbraw/zinc/03/68/09/572036809.db2.gz WEWQXHKUFTTXKZ-GHMZBOCLSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1CCC[N@H+](CCCC(N)=[NH2+])CC1 82489504 572037362 /nfs/dbraw/zinc/03/73/62/572037362.db2.gz GRSHXUIIQNWNTE-SNVBAGLBSA-N 2 0 197.326 1.825 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]CC1(C)CC1 235590658 572037409 /nfs/dbraw/zinc/03/74/09/572037409.db2.gz SYFWIIFVJPOLAV-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H](C[NH3+])CC[NH+]1CCCCC1 35940040 572037735 /nfs/dbraw/zinc/03/77/35/572037735.db2.gz NBWWQIMJPBAFGX-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP C[C@@H](C[NH3+])CC[NH+]1CCCCC1 35940041 572038427 /nfs/dbraw/zinc/03/84/27/572038427.db2.gz NBWWQIMJPBAFGX-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)(C)CCC[NH+]1CC(C[NH3+])C1 300904270 572038552 /nfs/dbraw/zinc/03/85/52/572038552.db2.gz RGJCYGJKQAIOGQ-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@H]1CCC[N@H+](CC[C@@H](C)[NH3+])C1 36169505 572039365 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JSYIQCYRKLZQFF-MRVPVSSYSA-N 2 0 188.340 1.161 10 0 ADAERP CO[C@@H]1CC[N@H+](C/C=C/C[NH3+])[C@@H](C)C1 300911741 572043135 /nfs/dbraw/zinc/04/31/35/572043135.db2.gz OYIWFQBBZZJEGX-MJKAUQOVSA-N 2 0 198.310 1.001 10 0 ADAERP C[N@H+](CCCC(N)=[NH2+])CC1CCCC1 82492458 572043156 /nfs/dbraw/zinc/04/31/56/572043156.db2.gz OOSJMBFYHSWCOW-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP C[C@H]1CCC[NH2+][C@H]1C[NH2+]CCC1CC1 235594703 572043271 /nfs/dbraw/zinc/04/32/71/572043271.db2.gz FAFYGRXMSUSXFV-JQWIXIFHSA-N 2 0 196.338 1.764 10 0 ADAERP CC[N@@H+]1CC[C@H](N(C)C(C)=[NH2+])C1 334138760 572043365 /nfs/dbraw/zinc/04/33/65/572043365.db2.gz HVHKNKPAMRAMQD-VIFPVBQESA-N 2 0 169.272 1.010 10 0 ADAERP C[C@H]1SCC[C@@H]1[NH2+]CCCC[NH3+] 235602921 572043645 /nfs/dbraw/zinc/04/36/45/572043645.db2.gz KDSWXANEBNQWJH-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CCC1 229119015 572044546 /nfs/dbraw/zinc/04/45/46/572044546.db2.gz OVELXUVAHDNSKL-PWSUYJOCSA-N 2 0 196.338 1.622 10 0 ADAERP [NH3+][C@@H]1C=C[C@H](C[NH2+]CCC2CCC2)C1 229120016 572044233 /nfs/dbraw/zinc/04/42/33/572044233.db2.gz WMLOLMDYUFYIFS-NWDGAFQWSA-N 2 0 194.322 1.670 10 0 ADAERP CC[N@@H+]1CC[C@@H](N(C)C(C)=[NH2+])C1 334138759 572044352 /nfs/dbraw/zinc/04/43/52/572044352.db2.gz HVHKNKPAMRAMQD-SECBINFHSA-N 2 0 169.272 1.010 10 0 ADAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+]CC1(C)CCC1 235603868 572044982 /nfs/dbraw/zinc/04/49/82/572044982.db2.gz QAVDDVYLEIWLIA-QWRGUYRKSA-N 2 0 196.338 1.622 10 0 ADAERP C[NH+](C)C[C@H](C(N)=[NH2+])C1CCCC1 397325639 572045706 /nfs/dbraw/zinc/04/57/06/572045706.db2.gz ATBFBNRUCPNJJA-VIFPVBQESA-N 2 0 183.299 1.290 10 0 ADAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+]CC1(C)CC1 235603828 572046005 /nfs/dbraw/zinc/04/60/05/572046005.db2.gz NDLGQNUEBQKSJV-UWVGGRQHSA-N 2 0 182.311 1.232 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560441 572046414 /nfs/dbraw/zinc/04/64/14/572046414.db2.gz ATHLCJWIQYNZIY-SDDRHHMPSA-N 2 0 198.354 1.818 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560527 572046426 /nfs/dbraw/zinc/04/64/26/572046426.db2.gz WKSSTTMVESXTAA-LPEHRKFASA-N 2 0 170.300 1.230 10 0 ADAERP C[C@H]1C[NH2+]C[C@H]1C[N@H+](C)CC1CC1 82560491 572046470 /nfs/dbraw/zinc/04/64/70/572046470.db2.gz MDNOTYJLZASCLM-ONGXEEELSA-N 2 0 182.311 1.184 10 0 ADAERP CC(C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1C 82560532 572046519 /nfs/dbraw/zinc/04/65/19/572046519.db2.gz QQXVDASJVQXHKU-ZJUUUORDSA-N 2 0 170.300 1.088 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]CC1(C)CC1 235604853 572046539 /nfs/dbraw/zinc/04/65/39/572046539.db2.gz SYFWIIFVJPOLAV-ZJUUUORDSA-N 2 0 182.311 1.374 10 0 ADAERP CC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@@H]1C 82560487 572046586 /nfs/dbraw/zinc/04/65/86/572046586.db2.gz XLLZTSOJDAEMJD-SRVKXCTJSA-N 2 0 196.338 1.716 10 0 ADAERP CCCCC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560386 572047144 /nfs/dbraw/zinc/04/71/44/572047144.db2.gz NSNBXBYTBJMWPZ-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)CC1CC1 82560488 572046625 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PNIDYGYVRFWIGI-UHFFFAOYSA-N 2 0 183.299 1.257 10 0 ADAERP CCC(CC)[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560444 572046981 /nfs/dbraw/zinc/04/69/81/572046981.db2.gz UOQNDGFLCMPUQW-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]CC1(C)CCC1 235604895 572046983 /nfs/dbraw/zinc/04/69/83/572046983.db2.gz WEWQXHKUFTTXKZ-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]([NH3+])CCN(C)c1cc[nH+]cc1 220060943 572047077 /nfs/dbraw/zinc/04/70/77/572047077.db2.gz YTQVNRQPMHDYAG-SECBINFHSA-N 2 0 179.267 1.255 10 0 ADAERP CCCC[NH2+]C[C@H]1C[NH2+]C[C@H]1C 82560559 572047091 /nfs/dbraw/zinc/04/70/91/572047091.db2.gz ARVSZRNAYZZDLM-ZJUUUORDSA-N 2 0 170.300 1.232 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 82560442 572047059 /nfs/dbraw/zinc/04/70/59/572047059.db2.gz ATHLCJWIQYNZIY-WOPDTQHZSA-N 2 0 198.354 1.818 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560526 572047132 /nfs/dbraw/zinc/04/71/32/572047132.db2.gz WKSSTTMVESXTAA-IVZWLZJFSA-N 2 0 170.300 1.230 10 0 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82544131 572047442 /nfs/dbraw/zinc/04/74/42/572047442.db2.gz KRMVCGBFBGLCGR-UHFFFAOYSA-N 2 0 185.315 1.503 10 0 ADAERP CCC[N@H+](CC)C[C@H]1C[NH2+]C[C@@H]1C 82560369 572047420 /nfs/dbraw/zinc/04/74/20/572047420.db2.gz XSWXNDAYOPIEQU-WDEREUQCSA-N 2 0 184.327 1.574 10 0 ADAERP CCCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560290 572047554 /nfs/dbraw/zinc/04/75/54/572047554.db2.gz LJBGABTWWHORQZ-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[NH+](CCC)C[C@H]1C[NH2+]C[C@@H]1C 82560281 572047601 /nfs/dbraw/zinc/04/76/01/572047601.db2.gz IRCRTDFMECQVDG-NWDGAFQWSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560443 572047628 /nfs/dbraw/zinc/04/76/28/572047628.db2.gz ATHLCJWIQYNZIY-SRVKXCTJSA-N 2 0 198.354 1.818 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@H]1C[NH2+]C[C@H]1C 82560440 572047729 /nfs/dbraw/zinc/04/77/29/572047729.db2.gz ATHLCJWIQYNZIY-GRYCIOLGSA-N 2 0 198.354 1.818 10 0 ADAERP CCCCC[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560387 572047778 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/nfs/dbraw/zinc/05/64/00/572056400.db2.gz UUIKWCZMKZTWIB-UHFFFAOYSA-N 2 0 179.267 1.257 10 0 ADAERP CC[C@H](C[NH3+])Nc1[nH+]ccn1CC 82591846 572056540 /nfs/dbraw/zinc/05/65/40/572056540.db2.gz WMYHBCZJAUGGKL-MRVPVSSYSA-N 2 0 182.271 1.052 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](C)C(C)C 36677454 572057442 /nfs/dbraw/zinc/05/74/42/572057442.db2.gz VDNUUUDYGMITBN-VIFPVBQESA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CCC(C)CC1 36677437 572057522 /nfs/dbraw/zinc/05/75/22/572057522.db2.gz GWNDXVLVGYRZOK-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[NH+]1CCC(C)CC1 36677889 572057608 /nfs/dbraw/zinc/05/76/08/572057608.db2.gz UDZJYICMKQFGBT-SNVBAGLBSA-N 2 0 197.326 1.823 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CCCCC1 36677459 572057629 /nfs/dbraw/zinc/05/76/29/572057629.db2.gz MWEAUORWECRAKR-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CC[N@@H+]1CC[C@H](C[C@H](C)[NH3+])C1 250220614 572057718 /nfs/dbraw/zinc/05/77/18/572057718.db2.gz DSPVKFKWVNYZHR-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CCCC[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 36678131 572057733 /nfs/dbraw/zinc/05/77/33/572057733.db2.gz APAHFUKXFKGBJR-VIFPVBQESA-N 2 0 185.315 1.823 10 0 ADAERP [NH3+]CCC[C@@H]1CCCN1CC(F)F 82596841 572057738 /nfs/dbraw/zinc/05/77/38/572057738.db2.gz FYLRNOKGTRAGQJ-MRVPVSSYSA-N 2 0 192.253 1.455 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[NH+](CC)CC 36677923 572057754 /nfs/dbraw/zinc/05/77/54/572057754.db2.gz YTKVPRRYHCMARR-MRVPVSSYSA-N 2 0 171.288 1.433 10 0 ADAERP CCCC[N@H+](C)[C@H](CC)CC[NH3+] 36677520 572057791 /nfs/dbraw/zinc/05/77/91/572057791.db2.gz YCAVBXBXKSUJFA-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)C(C)C 36678255 572058055 /nfs/dbraw/zinc/05/80/55/572058055.db2.gz UGLQREJNCOPBRS-MRVPVSSYSA-N 2 0 171.288 1.431 10 0 ADAERP CC(C)C[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596602 572058097 /nfs/dbraw/zinc/05/80/97/572058097.db2.gz SANYBRXNXRCKHN-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCCC[N@H+](C)C[C@@H](C)C(N)=[NH2+] 36678138 572058187 /nfs/dbraw/zinc/05/81/87/572058187.db2.gz INCBKEXMLYPHII-MRVPVSSYSA-N 2 0 171.288 1.290 10 0 ADAERP [NH3+]CCC[C@H]1CCC[N@@H+]1CC1CC1 82596702 572058367 /nfs/dbraw/zinc/05/83/67/572058367.db2.gz WJTPEUXXXLUNGL-NSHDSACASA-N 2 0 182.311 1.600 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+](CC)CC 36677440 572058810 /nfs/dbraw/zinc/05/88/10/572058810.db2.gz BKDQOBHYIYPEGY-VIFPVBQESA-N 2 0 158.289 1.456 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H]1CCC[NH3+] 82596798 572058713 /nfs/dbraw/zinc/05/87/13/572058713.db2.gz KUGBKRXQAKMLRR-SNVBAGLBSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[NH+]1CCCCC1 36678341 572058779 /nfs/dbraw/zinc/05/87/79/572058779.db2.gz WOXPLLDFFPRGLC-VIFPVBQESA-N 2 0 183.299 1.577 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[NH+]1CCCCC1 36678342 572059139 /nfs/dbraw/zinc/05/91/39/572059139.db2.gz WOXPLLDFFPRGLC-SECBINFHSA-N 2 0 183.299 1.577 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[NH+]1CCCC1 36677899 572059227 /nfs/dbraw/zinc/05/92/27/572059227.db2.gz YAEZTTFLTJDQTG-MRVPVSSYSA-N 2 0 169.272 1.187 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CCCCCC1 36677450 572059246 /nfs/dbraw/zinc/05/92/46/572059246.db2.gz RPGBKBXGWTZKQE-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596612 572059268 /nfs/dbraw/zinc/05/92/68/572059268.db2.gz AUKBOAKYMLGBSI-MNOVXSKESA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H](C)[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596614 572059309 /nfs/dbraw/zinc/05/93/09/572059309.db2.gz AUKBOAKYMLGBSI-QWRGUYRKSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[NH+](CCC)C[C@H](C)C(N)=[NH2+] 36678034 572059422 /nfs/dbraw/zinc/05/94/22/572059422.db2.gz OWPZFCBJZYIDQK-VIFPVBQESA-N 2 0 185.315 1.680 10 0 ADAERP CC(C)C[N@@H+]1CCC[C@H]1CCC[NH3+] 82596605 572059490 /nfs/dbraw/zinc/05/94/90/572059490.db2.gz SANYBRXNXRCKHN-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1CC1CC1 82596704 572059537 /nfs/dbraw/zinc/05/95/37/572059537.db2.gz WJTPEUXXXLUNGL-LLVKDONJSA-N 2 0 182.311 1.600 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CCCCCC1 36677451 572059545 /nfs/dbraw/zinc/05/95/45/572059545.db2.gz RPGBKBXGWTZKQE-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP CC[C@H](CC[NH3+])[NH+](CC)CC 36677441 572059591 /nfs/dbraw/zinc/05/95/91/572059591.db2.gz BKDQOBHYIYPEGY-SECBINFHSA-N 2 0 158.289 1.456 10 0 ADAERP C[N@H+](CCC(N)=[NH2+])C1CCCCCC1 36328645 572059820 /nfs/dbraw/zinc/05/98/20/572059820.db2.gz LZOAWXCNDPGEHD-UHFFFAOYSA-N 2 0 197.326 1.967 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[NH+]1CCC(C)CC1 36677888 572059905 /nfs/dbraw/zinc/05/99/05/572059905.db2.gz UDZJYICMKQFGBT-JTQLQIEISA-N 2 0 197.326 1.823 10 0 ADAERP CC[C@@H](CC[NH3+])[N@@H+]1CCC[C@H](C)C1 36677448 572059914 /nfs/dbraw/zinc/05/99/14/572059914.db2.gz HUIOVIGTALHARD-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H](C[N@H+](C)C1CCCCC1)C(N)=[NH2+] 36678252 572060063 /nfs/dbraw/zinc/06/00/63/572060063.db2.gz JYLQUIZLJRXTMZ-VIFPVBQESA-N 2 0 197.326 1.823 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[NH+]1CCCC1 36677898 572060091 /nfs/dbraw/zinc/06/00/91/572060091.db2.gz YAEZTTFLTJDQTG-QMMMGPOBSA-N 2 0 169.272 1.187 10 0 ADAERP Cc1c[nH]c(NCC[NH+]2CCCC2)[nH+]1 235848329 572060261 /nfs/dbraw/zinc/06/02/61/572060261.db2.gz UQTJDMNXKCEITK-UHFFFAOYSA-N 2 0 194.282 1.226 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@@H+]1CCC[C@H](C)C1 36677978 572060308 /nfs/dbraw/zinc/06/03/08/572060308.db2.gz XNAZLZUETNNZFN-VHSXEESVSA-N 2 0 197.326 1.823 10 0 ADAERP CCCC[N@H+](CC)C[C@@H](C)C(N)=[NH2+] 36678208 572060313 /nfs/dbraw/zinc/06/03/13/572060313.db2.gz SLZJJIJRDQTQCN-SECBINFHSA-N 2 0 185.315 1.680 10 0 ADAERP C[C@H](C[N@H+](C)C1CCCCC1)C(N)=[NH2+] 36678253 572060352 /nfs/dbraw/zinc/06/03/52/572060352.db2.gz JYLQUIZLJRXTMZ-SECBINFHSA-N 2 0 197.326 1.823 10 0 ADAERP CC[C@H](CC[NH3+])[N@H+](C)C(C)C 36677455 572060496 /nfs/dbraw/zinc/06/04/96/572060496.db2.gz VDNUUUDYGMITBN-SECBINFHSA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@@H+]1CCCC[C@@H]1C 36677932 572060521 /nfs/dbraw/zinc/06/05/21/572060521.db2.gz LSBRHUYWXAKBFT-UWVGGRQHSA-N 2 0 197.326 1.965 10 0 ADAERP CCCC[N@H+](C)[C@@H](CC)CC[NH3+] 36677519 572060680 /nfs/dbraw/zinc/06/06/80/572060680.db2.gz YCAVBXBXKSUJFA-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP CCC[N@H+](CCC[NH3+])[C@@H](C)CC 36731952 572060955 /nfs/dbraw/zinc/06/09/55/572060955.db2.gz XYRNYZQDCGOAPE-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(F)(F)F 235098111 572061023 /nfs/dbraw/zinc/06/10/23/572061023.db2.gz UGXQQDMJJLHNFO-BQBZGAKWSA-N 2 0 198.232 1.512 10 0 ADAERP C[C@@H](C1CC1)[N@@H+](C)C[C@H](C)C[NH3+] 36783196 572066768 /nfs/dbraw/zinc/06/67/68/572066768.db2.gz KVQQOOONPCBDQD-BDAKNGLRSA-N 2 0 170.300 1.312 10 0 ADAERP CC[C@H](C)[N@H+](CCC[NH3+])C(C)C 36732045 572061189 /nfs/dbraw/zinc/06/11/89/572061189.db2.gz FEDDJHRRWOMXHR-JTQLQIEISA-N 2 0 172.316 1.844 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2C=CCC2)C1 711658506 572061287 /nfs/dbraw/zinc/06/12/87/572061287.db2.gz YZSRSDZRGHLDIR-RYUDHWBXSA-N 2 0 194.322 1.494 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C=CCC1 711658378 572061348 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DSPCKEGLSRCNFO-UHFFFAOYSA-N 2 0 172.316 1.847 10 0 ADAERP CC[C@@H](C)[N@H+](CCC[NH3+])C1CC1 36732138 572061735 /nfs/dbraw/zinc/06/17/35/572061735.db2.gz DXSBGQPJMCERFT-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP CCC(CC)[N@H+](C)C1CC[NH2+]CC1 36789196 572061854 /nfs/dbraw/zinc/06/18/54/572061854.db2.gz GLCADNSOOSCNGJ-UHFFFAOYSA-N 2 0 184.327 1.859 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C=CCC2)C1 711658509 572062105 /nfs/dbraw/zinc/06/21/05/572062105.db2.gz YZSRSDZRGHLDIR-VXGBXAGGSA-N 2 0 194.322 1.494 10 0 ADAERP CCN(CCC[NH3+])c1cc[nH+]cc1 36731729 572062256 /nfs/dbraw/zinc/06/22/56/572062256.db2.gz CIZGSPPHWMLGCP-UHFFFAOYSA-N 2 0 179.267 1.257 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@H](C)CC(F)(F)F 235098322 572062306 /nfs/dbraw/zinc/06/23/06/572062306.db2.gz UGXQQDMJJLHNFO-NKWVEPMBSA-N 2 0 198.232 1.512 10 0 ADAERP CCc1cc(NC[C@@H]([NH3+])CC)ncn1 82579291 572062701 /nfs/dbraw/zinc/06/27/01/572062701.db2.gz VNAFPRSXYNKRFB-QMMMGPOBSA-N 2 0 194.282 1.188 10 0 ADAERP [NH3+]CCSC[C@H]([NH3+])c1ccccc1 82583017 572062738 /nfs/dbraw/zinc/06/27/38/572062738.db2.gz FPFKJMJTFVIWEV-JTQLQIEISA-N 2 0 196.319 1.378 10 0 ADAERP [NH3+]CCSC[C@@H]([NH3+])c1ccccc1 82583016 572062881 /nfs/dbraw/zinc/06/28/81/572062881.db2.gz FPFKJMJTFVIWEV-SNVBAGLBSA-N 2 0 196.319 1.378 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C=CCC1 711658379 572062954 /nfs/dbraw/zinc/06/29/54/572062954.db2.gz RYUNXOWPKDKTHL-WOPDTQHZSA-N 2 0 194.322 1.764 10 0 ADAERP CCC[N@H+](CCC[NH3+])[C@H](C)CC 36731953 572062973 /nfs/dbraw/zinc/06/29/73/572062973.db2.gz XYRNYZQDCGOAPE-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CCC(CC)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 36789190 572063030 /nfs/dbraw/zinc/06/30/30/572063030.db2.gz FPBYCBJUCWLRIS-MRVPVSSYSA-N 2 0 185.315 1.679 10 0 ADAERP CCCC[N@H+](CCC)CCC[NH3+] 36731884 572063093 /nfs/dbraw/zinc/06/30/93/572063093.db2.gz SCVPEQUZVYYFNC-UHFFFAOYSA-N 2 0 172.316 1.847 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1C=CCC1 711658373 572063159 /nfs/dbraw/zinc/06/31/59/572063159.db2.gz RYUNXOWPKDKTHL-GRYCIOLGSA-N 2 0 194.322 1.764 10 0 ADAERP CC[C@H](C)[N@H+](CCC[NH3+])C1CC1 36732139 572063177 /nfs/dbraw/zinc/06/31/77/572063177.db2.gz DXSBGQPJMCERFT-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CCCC[N@H+](CCC[NH3+])C(C)C 36731976 572063305 /nfs/dbraw/zinc/06/33/05/572063305.db2.gz AUXUSAQCEZDYNB-UHFFFAOYSA-N 2 0 172.316 1.846 10 0 ADAERP [NH3+]CCCN(c1cc[nH+]cc1)C1CC1 36731753 572063418 /nfs/dbraw/zinc/06/34/18/572063418.db2.gz RVLIBRCARNWETA-UHFFFAOYSA-N 2 0 191.278 1.399 10 0 ADAERP CCCN(CCC[NH3+])c1cc[nH+]cc1 36731738 572063469 /nfs/dbraw/zinc/06/34/69/572063469.db2.gz HJYYWAIUNIFFSW-UHFFFAOYSA-N 2 0 193.294 1.647 10 0 ADAERP CC(C)N(CCC[NH3+])c1cc[nH+]cc1 36731745 572063514 /nfs/dbraw/zinc/06/35/14/572063514.db2.gz VSHZXNWMGMLTAL-UHFFFAOYSA-N 2 0 193.294 1.645 10 0 ADAERP C[NH2+][C@@H](C[C@H]1CC=CCC1)CN(C)C 402240874 572063769 /nfs/dbraw/zinc/06/37/69/572063769.db2.gz BTJSZWSAQUSJDF-RYUDHWBXSA-N 2 0 196.338 1.882 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 36786673 572063993 /nfs/dbraw/zinc/06/39/93/572063993.db2.gz UKZMSRZTVZZWPW-VHSXEESVSA-N 2 0 172.316 1.558 10 0 ADAERP [NH3+]CCC[N@H+](CC1CC1)C1CCCC1 36765323 572064067 /nfs/dbraw/zinc/06/40/67/572064067.db2.gz LXVMBPLTVZQWPE-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)CCCC[NH3+] 36783161 572064098 /nfs/dbraw/zinc/06/40/98/572064098.db2.gz LWMTZWWKOMFZBD-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP C1CC(CC2CC[NH2+]CC2)CC[NH2+]1 34233755 572064205 /nfs/dbraw/zinc/06/42/05/572064205.db2.gz XUTHRJJZMHXMFR-UHFFFAOYSA-N 2 0 182.311 1.376 10 0 ADAERP C[C@@H](C1CC1)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 36785547 572064323 /nfs/dbraw/zinc/06/43/23/572064323.db2.gz UPHUOXSETUAOBJ-SFYZADRCSA-N 2 0 183.299 1.289 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)CC[C@@H](C)[NH3+] 36787252 572064639 /nfs/dbraw/zinc/06/46/39/572064639.db2.gz DBHKXBNMDQAPKC-ZJUUUORDSA-N 2 0 172.316 1.700 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)CCCC[NH3+] 36783162 572064597 /nfs/dbraw/zinc/06/45/97/572064597.db2.gz LWMTZWWKOMFZBD-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[N@H+](C)CCCC[NH3+] 36788562 572064683 /nfs/dbraw/zinc/06/46/83/572064683.db2.gz OLDSQEZKDMEIDJ-UHFFFAOYSA-N 2 0 172.316 1.846 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)CCCC(N)=[NH2+] 36785541 572064838 /nfs/dbraw/zinc/06/48/38/572064838.db2.gz OHTGWRQEXQQZEE-MRVPVSSYSA-N 2 0 183.299 1.433 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CC=CCC1)CN(C)C 402240875 572065001 /nfs/dbraw/zinc/06/50/01/572065001.db2.gz BTJSZWSAQUSJDF-VXGBXAGGSA-N 2 0 196.338 1.882 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)CCC(N)=[NH2+] 36785539 572065222 /nfs/dbraw/zinc/06/52/22/572065222.db2.gz AOHPEBCMAAHXBO-SSDOTTSWSA-N 2 0 169.272 1.043 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+]C[C@H]1CC1(C)C 235097726 572065348 /nfs/dbraw/zinc/06/53/48/572065348.db2.gz SOKNNLYTMPNBIK-DTWKUNHWSA-N 2 0 170.300 1.217 10 0 ADAERP C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 36783195 572065509 /nfs/dbraw/zinc/06/55/09/572065509.db2.gz KVQQOOONPCBDQD-IUCAKERBSA-N 2 0 170.300 1.312 10 0 ADAERP CCC(CC)[N@H+](C)C[C@H](C)C[NH3+] 36788584 572065608 /nfs/dbraw/zinc/06/56/08/572065608.db2.gz RPFHUVPDEKXTAN-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP CCC(CC)[N@H+](C)C[C@@H](C)C[NH3+] 36788583 572065655 /nfs/dbraw/zinc/06/56/55/572065655.db2.gz RPFHUVPDEKXTAN-VIFPVBQESA-N 2 0 172.316 1.702 10 0 ADAERP CCC(CC)[N@H+](C)CC[C@H](C)[NH3+] 36789037 572065668 /nfs/dbraw/zinc/06/56/68/572065668.db2.gz XMNIAVPOZGJDEE-VIFPVBQESA-N 2 0 172.316 1.844 10 0 ADAERP C[C@@H]1C[C@H]1C[N@H+](C)CCC[NH2+]C1CC1 82648403 572065708 /nfs/dbraw/zinc/06/57/08/572065708.db2.gz CEUYFYAEDFZLIM-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)C[C@@H]1C[C@@H]1C 82648758 572065738 /nfs/dbraw/zinc/06/57/38/572065738.db2.gz QXIKCWPVZVHOCK-LPEHRKFASA-N 2 0 197.326 1.679 10 0 ADAERP CCCN1CCCC[C@H]1[C@@H](C)[NH2+]C 82646993 572065787 /nfs/dbraw/zinc/06/57/87/572065787.db2.gz XRESIPLLROCDST-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP C[C@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH2+]C1 82648670 572065801 /nfs/dbraw/zinc/06/58/01/572065801.db2.gz UAPCXWOEZYLSCN-HBNTYKKESA-N 2 0 182.311 1.184 10 0 ADAERP CC(C)[NH2+]CCC[N@H+](C)C[C@H]1C[C@H]1C 82648427 572065850 /nfs/dbraw/zinc/06/58/50/572065850.db2.gz CYDJFFCPAMWREU-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)CCCC(N)=[NH2+] 36785540 572065898 /nfs/dbraw/zinc/06/58/98/572065898.db2.gz OHTGWRQEXQQZEE-QMMMGPOBSA-N 2 0 183.299 1.433 10 0 ADAERP CC[NH2+][C@@H](C)CC[N@H+](C)C[C@@H]1C[C@@H]1C 82648335 572065907 /nfs/dbraw/zinc/06/59/07/572065907.db2.gz ATBRGYLBVUWHIU-SRVKXCTJSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 82648750 572065923 /nfs/dbraw/zinc/06/59/23/572065923.db2.gz VFZZBQBTTCJQAO-DJLDLDEBSA-N 2 0 183.299 1.146 10 0 ADAERP C[C@@H]1C[C@@H]1CN(C)CC[NH2+]C(C)(C)C 82648329 572065931 /nfs/dbraw/zinc/06/59/31/572065931.db2.gz QTMDYNICVKIPLS-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP 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CC(C)[C@@H](C)[N@H+](C)CC[C@@H](C)[NH3+] 36787251 572066162 /nfs/dbraw/zinc/06/61/62/572066162.db2.gz DBHKXBNMDQAPKC-NXEZZACHSA-N 2 0 172.316 1.700 10 0 ADAERP C[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC2CC2)C1 82646522 572066198 /nfs/dbraw/zinc/06/61/98/572066198.db2.gz GRJJOUWXUBYNPQ-JQWIXIFHSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 36786674 572066211 /nfs/dbraw/zinc/06/62/11/572066211.db2.gz UKZMSRZTVZZWPW-UWVGGRQHSA-N 2 0 172.316 1.558 10 0 ADAERP C[C@H]1C[C@H]1C[N@H+](C)CCC[NH2+]C1CC1 82648404 572066221 /nfs/dbraw/zinc/06/62/21/572066221.db2.gz CEUYFYAEDFZLIM-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[C@H](CN(C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648264 572066248 /nfs/dbraw/zinc/06/62/48/572066248.db2.gz VMFXAOGSJQPTHZ-SDDRHHMPSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH2+]C1 82648669 572066296 /nfs/dbraw/zinc/06/62/96/572066296.db2.gz UAPCXWOEZYLSCN-GMTAPVOTSA-N 2 0 182.311 1.184 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36783154 572066286 /nfs/dbraw/zinc/06/62/86/572066286.db2.gz DKLLZACFYUSLBG-YUSALJHKSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@H]1C[C@H]1C[N@@H+](C)CCC[C@@H](C)[NH3+] 82648276 572066313 /nfs/dbraw/zinc/06/63/13/572066313.db2.gz RZZMYGXCSNWTOX-AXFHLTTASA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 36785260 572066319 /nfs/dbraw/zinc/06/63/19/572066319.db2.gz JGYWLZGEULZNDN-IUCAKERBSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[NH2+]CCN(C)C[C@H]1C[C@H]1C 82648459 572066349 /nfs/dbraw/zinc/06/63/49/572066349.db2.gz ODEXKWHUOMXLLR-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP C[NH2+][C@H]1CCC[C@H]1N(C)C[C@@H]1C[C@@H]1C 82648414 572066361 /nfs/dbraw/zinc/06/63/61/572066361.db2.gz NPDCSMWSICPPTP-FIQHERPVSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)Cc1ccncc1 36771904 572066396 /nfs/dbraw/zinc/06/63/96/572066396.db2.gz NOXMKZXCHWWLGA-SNVBAGLBSA-N 2 0 193.294 1.108 10 0 ADAERP CCC[NH2+][C@@H](C)CN(C)C[C@@H]1C[C@@H]1C 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IHFBRHJBDRJNHW-QWRGUYRKSA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]CC(C)(C)C[N@H+](C)C[C@H]1C[C@@H]1C 82650164 572071151 /nfs/dbraw/zinc/07/11/51/572071151.db2.gz YFAKSLQFZRLUBL-WDEREUQCSA-N 2 0 198.354 1.820 10 0 ADAERP CC[NH2+]CCCC[N@H+](C)C[C@@H]1C[C@@H]1C 82650428 572071164 /nfs/dbraw/zinc/07/11/64/572071164.db2.gz ZVQOQYQHMZCMKD-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@H]([NH3+])CN(CC)C1CC1 36872041 572071242 /nfs/dbraw/zinc/07/12/42/572071242.db2.gz MCOKAJUAFFQIDH-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH2+]CC(C)(C)C[N@H+](C)C[C@@H]1C[C@H]1C 82650165 572071252 /nfs/dbraw/zinc/07/12/52/572071252.db2.gz YFAKSLQFZRLUBL-MNOVXSKESA-N 2 0 198.354 1.820 10 0 ADAERP CCC[C@@H](C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 36790841 572071283 /nfs/dbraw/zinc/07/12/83/572071283.db2.gz HMYOYOMXPWEJQA-RKDXNWHRSA-N 2 0 185.315 1.679 10 0 ADAERP C[C@@H](CCC[NH3+])C[NH2+]C[C@@H]1CC1(C)C 235102742 572071428 /nfs/dbraw/zinc/07/14/28/572071428.db2.gz XYLQZWYUSCQUCI-QWRGUYRKSA-N 2 0 198.354 1.997 10 0 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CSTGZELLUGLLHQ-UHFFFAOYSA-N 2 0 184.327 1.990 10 0 ADAERP CC[N@H+](CCC(N)=[NH2+])C(C)C 37082386 572085155 /nfs/dbraw/zinc/08/51/55/572085155.db2.gz XCCDJNUZETUSQW-UHFFFAOYSA-N 2 0 157.261 1.043 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@H+](C)C1CC1 37081234 572085162 /nfs/dbraw/zinc/08/51/62/572085162.db2.gz APWLVGMJCODUQX-ZETCQYMHSA-N 2 0 169.272 1.185 10 0 ADAERP CC1(C)CC[NH2+][C@@H](CN2CCCC2)C1 34491495 572085205 /nfs/dbraw/zinc/08/52/05/572085205.db2.gz SQXJEKDZJTWUNC-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP C[N@H+](Cc1cccc(C[NH3+])c1)C1CC1 37080556 572085211 /nfs/dbraw/zinc/08/52/11/572085211.db2.gz YJXNADSQEZPQIH-UHFFFAOYSA-N 2 0 190.290 1.740 10 0 ADAERP CC[NH+](CC)CC[C@H]([NH3+])C1CC1 82681749 572085472 /nfs/dbraw/zinc/08/54/72/572085472.db2.gz NPKBUOPHUJRWOC-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@@H]1CCCC[N@@H+]1CCC(N)=[NH2+] 37083454 572085523 /nfs/dbraw/zinc/08/55/23/572085523.db2.gz JJWJQRNOCGVZMA-SECBINFHSA-N 2 0 183.299 1.577 10 0 ADAERP C[N@H+](CCCC[NH3+])C1CCCC1 37083963 572085694 /nfs/dbraw/zinc/08/56/94/572085694.db2.gz CIRGSYFVEWCEHI-UHFFFAOYSA-N 2 0 170.300 1.600 10 0 ADAERP C[C@@H](C[N@H+](C)C1CCCC1)C(N)=[NH2+] 37092853 572085719 /nfs/dbraw/zinc/08/57/19/572085719.db2.gz CCYDXVNJFDIYFY-QMMMGPOBSA-N 2 0 183.299 1.433 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](C)C1CC1 37080552 572085774 /nfs/dbraw/zinc/08/57/74/572085774.db2.gz RWBWUOUUDSCMOX-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP CC[N@H+](CC[C@@H](C)[NH3+])C(C)C 37082100 572085834 /nfs/dbraw/zinc/08/58/34/572085834.db2.gz FQEGDHOAMISXDP-SECBINFHSA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@H+](CC)C(C)C 37082380 572085883 /nfs/dbraw/zinc/08/58/83/572085883.db2.gz PLSQCVPUZNPDMO-VIFPVBQESA-N 2 0 185.315 1.821 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](CC)C(C)C 37081694 572086007 /nfs/dbraw/zinc/08/60/07/572086007.db2.gz UPUDVIZHHDGSKW-JTQLQIEISA-N 2 0 172.316 1.844 10 0 ADAERP CC[C@@H]1CCCC[N@@H+]1CC[C@@H](C)[NH3+] 37083186 572086028 /nfs/dbraw/zinc/08/60/28/572086028.db2.gz GSPVGWOUMQPWTL-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP CC[N@H+](C[C@@H](C)C[NH3+])C(C)C 37081696 572086186 /nfs/dbraw/zinc/08/61/86/572086186.db2.gz WUWDRHJFKSGLKV-VIFPVBQESA-N 2 0 158.289 1.312 10 0 ADAERP CC[N@H+](C[C@H](C)C[NH3+])C(C)C 37081697 572086203 /nfs/dbraw/zinc/08/62/03/572086203.db2.gz WUWDRHJFKSGLKV-SECBINFHSA-N 2 0 158.289 1.312 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)C1CCCC1 37083959 572086530 /nfs/dbraw/zinc/08/65/30/572086530.db2.gz PVSCXCHJSYEEJR-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CC1(C)CC[C@H](CN2CCCC2)[NH2+]C1 34491490 572086567 /nfs/dbraw/zinc/08/65/67/572086567.db2.gz GRHXCKLKUOCDLT-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC1(C)CC[C@@H](CN2CCCC2)[NH2+]C1 34491491 572086410 /nfs/dbraw/zinc/08/64/10/572086410.db2.gz GRHXCKLKUOCDLT-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](C[C@@H](C)C(N)=[NH2+])C1CC1 37080110 572086462 /nfs/dbraw/zinc/08/64/62/572086462.db2.gz ZXXQTQUBJNVWBE-SSDOTTSWSA-N 2 0 169.272 1.043 10 0 ADAERP 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/nfs/dbraw/zinc/08/74/79/572087479.db2.gz GSPVGWOUMQPWTL-MNOVXSKESA-N 2 0 184.327 1.988 10 0 ADAERP C[N@H+](CCCC(N)=[NH2+])C1CCCC1 37092857 572087605 /nfs/dbraw/zinc/08/76/05/572087605.db2.gz URSRBGXHOSCSER-UHFFFAOYSA-N 2 0 183.299 1.577 10 0 ADAERP CC(C)CC[N@H+](C)CC1CC([NH3+])C1 84984562 572087695 /nfs/dbraw/zinc/08/76/95/572087695.db2.gz KDPFBXOWPOOMLJ-UHFFFAOYSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@H]1CCCC[N@@H+]1C[C@@H](C)C(N)=[NH2+] 37083447 572087678 /nfs/dbraw/zinc/08/76/78/572087678.db2.gz RULARRDDQAHBAS-ZJUUUORDSA-N 2 0 197.326 1.823 10 0 ADAERP CC[N@H+](CCCC(N)=[NH2+])C(C)C 37082385 572087692 /nfs/dbraw/zinc/08/76/92/572087692.db2.gz JRYJYVHHULPBGU-UHFFFAOYSA-N 2 0 171.288 1.433 10 0 ADAERP CCC[C@H]([NH3+])[C@@H](CC)[N@H+](C)C1CC1 37080985 572088142 /nfs/dbraw/zinc/08/81/42/572088142.db2.gz NPIOVXDFSQIBIN-WDEREUQCSA-N 2 0 184.327 1.987 10 0 ADAERP CC[C@H](C)[N@H+](C)CC1CC([NH3+])C1 84984622 572087922 /nfs/dbraw/zinc/08/79/22/572087922.db2.gz GVHNJZAIIHPMFM-IDKOKCKLSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH+](C)Cc1csc(C[NH3+])c1 16943206 572087929 /nfs/dbraw/zinc/08/79/29/572087929.db2.gz PPNZPYPIDSMJAE-UHFFFAOYSA-N 2 0 170.281 1.268 10 0 ADAERP CC[C@@H](C)[N@H+](C)CC1CC([NH3+])C1 84984620 572088152 /nfs/dbraw/zinc/08/81/52/572088152.db2.gz GVHNJZAIIHPMFM-XNWIYYODSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@@H]1CCCC[N@@H+]1C[C@@H](C)C(N)=[NH2+] 37083446 572088109 /nfs/dbraw/zinc/08/81/09/572088109.db2.gz RULARRDDQAHBAS-NXEZZACHSA-N 2 0 197.326 1.823 10 0 ADAERP C[NH2+]Cc1ccc([C@@H]2CC[NH2+]C2)cc1 34517098 572088350 /nfs/dbraw/zinc/08/83/50/572088350.db2.gz TVULPEBPCLTWOK-GFCCVEGCSA-N 2 0 190.290 1.483 10 0 ADAERP CCCCCC[NH+]1CC(C[NH3+])C1 84987594 572088451 /nfs/dbraw/zinc/08/84/51/572088451.db2.gz LBOJACGGQOUJPU-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CCCSC1(C[NH3+])CC[NH2+]CC1 84985783 572088519 /nfs/dbraw/zinc/08/85/19/572088519.db2.gz UODIODIQMVLHTE-UHFFFAOYSA-N 2 0 188.340 1.211 10 0 ADAERP CCC[N@H+](CC)CCC(N)=[NH2+] 37095163 572088544 /nfs/dbraw/zinc/08/85/44/572088544.db2.gz KQIYHDWCLAUSEB-UHFFFAOYSA-N 2 0 157.261 1.044 10 0 ADAERP CC[C@@H](C)C[N@H+](C)CC1CC([NH3+])C1 84984646 572088552 /nfs/dbraw/zinc/08/85/52/572088552.db2.gz PGLVJQVHNNEWKD-KPPDAEKUSA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@H](C)C[NH+]1CC(C[NH3+])C1 84988202 572088770 /nfs/dbraw/zinc/08/87/70/572088770.db2.gz VRUVWUPXGJTGSX-VIFPVBQESA-N 2 0 170.300 1.313 10 0 ADAERP [NH3+]Cc1ccccc1[C@@H]1CC[NH2+]C1 34517094 572088810 /nfs/dbraw/zinc/08/88/10/572088810.db2.gz FVERSHVXVIBCGC-SNVBAGLBSA-N 2 0 176.263 1.222 10 0 ADAERP C[NH2+]Cc1ccc([C@H]2CC[NH2+]C2)cc1 34517099 572088884 /nfs/dbraw/zinc/08/88/84/572088884.db2.gz TVULPEBPCLTWOK-LBPRGKRZSA-N 2 0 190.290 1.483 10 0 ADAERP CCC[N@H+](C[C@@H](C)C(N)=[NH2+])C(C)C 37096282 572089110 /nfs/dbraw/zinc/08/91/10/572089110.db2.gz SHZQKOWKZDOWNB-SECBINFHSA-N 2 0 185.315 1.679 10 0 ADAERP CCC[N@H+](CC)CCCC(N)=[NH2+] 37095162 572089021 /nfs/dbraw/zinc/08/90/21/572089021.db2.gz DXGYNQLBJWULED-UHFFFAOYSA-N 2 0 171.288 1.434 10 0 ADAERP CCC[N@H+](CC)[C@@H](CC)CC(N)=[NH2+] 37095158 572089027 /nfs/dbraw/zinc/08/90/27/572089027.db2.gz SMBXORGKUWYFFN-VIFPVBQESA-N 2 0 185.315 1.823 10 0 ADAERP CCC[N@@H+](C1CC1)[C@H](CC)CC[NH3+] 37096784 572089037 /nfs/dbraw/zinc/08/90/37/572089037.db2.gz ZWPKTSWDAIYOBM-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[N@H+](CC)CC[C@H](C)[NH3+] 37094899 572089067 /nfs/dbraw/zinc/08/90/67/572089067.db2.gz FRUPYVYGNDPWNR-VIFPVBQESA-N 2 0 158.289 1.456 10 0 ADAERP CCC[N@H+](CCCC(N)=[NH2+])C(C)C 37096285 572089217 /nfs/dbraw/zinc/08/92/17/572089217.db2.gz NCDWSQZJOQGKAZ-UHFFFAOYSA-N 2 0 185.315 1.823 10 0 ADAERP CC(C)C[N@H+](C)CC1CC([NH3+])C1 84984693 572089241 /nfs/dbraw/zinc/08/92/41/572089241.db2.gz HKJGRTYXDCQUPK-UHFFFAOYSA-N 2 0 170.300 1.312 10 0 ADAERP C[NH2+]Cc1cccc([C@@H]2CC[NH2+]C2)c1 34517096 572089320 /nfs/dbraw/zinc/08/93/20/572089320.db2.gz VZYVRWNNYXHAKU-GFCCVEGCSA-N 2 0 190.290 1.483 10 0 ADAERP [NH3+]Cc1ccccc1[C@H]1CC[NH2+]C1 34517095 572089358 /nfs/dbraw/zinc/08/93/58/572089358.db2.gz FVERSHVXVIBCGC-JTQLQIEISA-N 2 0 176.263 1.222 10 0 ADAERP CCC[N@H+](C1CC1)[C@H]1CCC[C@@H]1N 37097130 572089401 /nfs/dbraw/zinc/08/94/01/572089401.db2.gz LNZUVKCEXPITIG-QWRGUYRKSA-N 2 0 182.311 1.741 10 0 ADAERP CCC[N@@H+](C1CC1)[C@@H](CC)CC[NH3+] 37096783 572089822 /nfs/dbraw/zinc/08/98/22/572089822.db2.gz ZWPKTSWDAIYOBM-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H](C)C[N@H+](C)CC1CC([NH3+])C1 84984648 572089865 /nfs/dbraw/zinc/08/98/65/572089865.db2.gz PGLVJQVHNNEWKD-WHXUTIOJSA-N 2 0 184.327 1.702 10 0 ADAERP CCC[N@H+](CC)CC[C@@H](C)[NH3+] 37094898 572089891 /nfs/dbraw/zinc/08/98/91/572089891.db2.gz FRUPYVYGNDPWNR-SECBINFHSA-N 2 0 158.289 1.456 10 0 ADAERP CC[N@H+](CC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 85016038 572090146 /nfs/dbraw/zinc/09/01/46/572090146.db2.gz UVYKSAIXZKUUKP-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014902 572090107 /nfs/dbraw/zinc/09/01/07/572090107.db2.gz SPERZZYHMTWVNM-UWVGGRQHSA-N 2 0 170.300 1.359 10 0 ADAERP CCC[N@H+](C[C@@H](C)C[NH3+])C(C)C 37095662 572090060 /nfs/dbraw/zinc/09/00/60/572090060.db2.gz ANHICCGGQKVMCX-JTQLQIEISA-N 2 0 172.316 1.702 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 85016271 572090131 /nfs/dbraw/zinc/09/01/31/572090131.db2.gz CPIYZJPVIPWXQJ-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP CCC[N@H+](C1CC1)[C@@H]1CCC[C@@H]1N 37097129 572090161 /nfs/dbraw/zinc/09/01/61/572090161.db2.gz LNZUVKCEXPITIG-WDEREUQCSA-N 2 0 182.311 1.741 10 0 ADAERP CCC[N@H+](C[C@H](C)C[NH3+])C(C)C 37095663 572090226 /nfs/dbraw/zinc/09/02/26/572090226.db2.gz ANHICCGGQKVMCX-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C 85014511 572090248 /nfs/dbraw/zinc/09/02/48/572090248.db2.gz GQQBUXKQUWNJPC-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP CC[NH+](CC)C[C@@H]1CC[C@@H]([NH3+])C1 85014254 572090344 /nfs/dbraw/zinc/09/03/44/572090344.db2.gz DMEPFXUUFXJOHD-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014547 572090386 /nfs/dbraw/zinc/09/03/86/572090386.db2.gz FWZHXYJONBMQBG-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[N@H+](C[C@@H](C)C[NH3+])C1CC1 37096785 572090398 /nfs/dbraw/zinc/09/03/98/572090398.db2.gz QVBWNIMJCIULQT-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014669 572090409 /nfs/dbraw/zinc/09/04/09/572090409.db2.gz JBKOPPDKECSZAD-FOGDFJRCSA-N 2 0 196.338 1.844 10 0 ADAERP CCC[N@H+](C(C)C)C1CC[NH2+]CC1 37096297 572090410 /nfs/dbraw/zinc/09/04/10/572090410.db2.gz GLHCAIXPVQWBSO-UHFFFAOYSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[N@H+](CC[C@@H](C)[NH3+])C(C)C 37096014 572090429 /nfs/dbraw/zinc/09/04/29/572090429.db2.gz RELNWUAGBOCWMZ-SNVBAGLBSA-N 2 0 172.316 1.844 10 0 ADAERP CC[NH+](CC)C[C@H]1CC[C@@H]([NH3+])C1 85014256 572090486 /nfs/dbraw/zinc/09/04/86/572090486.db2.gz DMEPFXUUFXJOHD-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[N@H+](CC[C@@H](C)[NH3+])C1CC1 37097160 572090507 /nfs/dbraw/zinc/09/05/07/572090507.db2.gz YFVPCUOZIXNNHR-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85016195 572090662 /nfs/dbraw/zinc/09/06/62/572090662.db2.gz LUFNBILLVIOAEC-WOPDTQHZSA-N 2 0 198.354 1.996 10 0 ADAERP CCC[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 37098479 572092286 /nfs/dbraw/zinc/09/22/86/572092286.db2.gz NUGYWIKPSGBRFW-QMMMGPOBSA-N 2 0 171.288 1.433 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 85015008 572090672 /nfs/dbraw/zinc/09/06/72/572090672.db2.gz LPGPSZYOUVIDHU-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014881 572090735 /nfs/dbraw/zinc/09/07/35/572090735.db2.gz QIQACHMOTIHNOC-GUBZILKMSA-N 2 0 170.300 1.502 10 0 ADAERP C[N@H+](CC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 85014773 572092263 /nfs/dbraw/zinc/09/22/63/572092263.db2.gz QOLUJEQKNGLIII-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP CCCC[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014342 572090791 /nfs/dbraw/zinc/09/07/91/572090791.db2.gz KUTBHZUGKHTSDL-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@H+](CC[C@H](C)[NH3+])C(C)C 37096015 572091297 /nfs/dbraw/zinc/09/12/97/572091297.db2.gz RELNWUAGBOCWMZ-JTQLQIEISA-N 2 0 172.316 1.844 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85016190 572090839 /nfs/dbraw/zinc/09/08/39/572090839.db2.gz LUFNBILLVIOAEC-UTUOFQBUSA-N 2 0 198.354 1.996 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014549 572090921 /nfs/dbraw/zinc/09/09/21/572090921.db2.gz IAZPVRSEKZGHNR-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85016026 572090932 /nfs/dbraw/zinc/09/09/32/572090932.db2.gz NJAGTLOAFGKZBJ-KKOKHZNYSA-N 2 0 196.338 1.702 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]Cc2ccco2)C1 85014863 572090965 /nfs/dbraw/zinc/09/09/65/572090965.db2.gz HYQPGEGFEHJNSZ-NXEZZACHSA-N 2 0 194.278 1.497 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85014999 572092301 /nfs/dbraw/zinc/09/23/01/572092301.db2.gz LPGPSZYOUVIDHU-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014559 572091016 /nfs/dbraw/zinc/09/10/16/572091016.db2.gz SBQLPULFTSDZFS-AXFHLTTASA-N 2 0 184.327 1.844 10 0 ADAERP CCCC[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014969 572091056 /nfs/dbraw/zinc/09/10/56/572091056.db2.gz ZUOSQIHZGOIJMI-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 85016265 572091080 /nfs/dbraw/zinc/09/10/80/572091080.db2.gz CPIYZJPVIPWXQJ-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP C[N@H+](CC1CCC1)C[C@H]1CC[C@H]([NH3+])C1 85015762 572091102 /nfs/dbraw/zinc/09/11/02/572091102.db2.gz ZBPGZLWSRZFNOG-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85015002 572091150 /nfs/dbraw/zinc/09/11/50/572091150.db2.gz LPGPSZYOUVIDHU-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]([NH3+])c1ccc([C@@H]2CC[NH2+]C2)cc1 79506405 572091155 /nfs/dbraw/zinc/09/11/55/572091155.db2.gz NQHOKBHCPSWTML-JOYOIKCWSA-N 2 0 190.290 1.783 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccco2)C1 85014865 572092276 /nfs/dbraw/zinc/09/22/76/572092276.db2.gz HYQPGEGFEHJNSZ-VHSXEESVSA-N 2 0 194.278 1.497 10 0 ADAERP CC[N@H+](CC1CC1)C[C@H]1CC[C@H]([NH3+])C1 85016041 572091218 /nfs/dbraw/zinc/09/12/18/572091218.db2.gz UVYKSAIXZKUUKP-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CCC[N@H+](CC[C@H](C)[NH3+])C1CC1 37097161 572091237 /nfs/dbraw/zinc/09/12/37/572091237.db2.gz YFVPCUOZIXNNHR-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1 85014951 572091284 /nfs/dbraw/zinc/09/12/84/572091284.db2.gz XSYCTZHBUWTKAQ-NXEZZACHSA-N 2 0 168.284 1.113 10 0 ADAERP C[N@H+](CC1CCC1)C[C@@H]1CC[C@H]([NH3+])C1 85015759 572091295 /nfs/dbraw/zinc/09/12/95/572091295.db2.gz ZBPGZLWSRZFNOG-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP CCC[N@H+](CCC(N)=[NH2+])C(C)C 37096286 572091324 /nfs/dbraw/zinc/09/13/24/572091324.db2.gz UAWZPWWOZQDDMG-UHFFFAOYSA-N 2 0 171.288 1.433 10 0 ADAERP C[N@H+](CC1CC1)C[C@H]1CC[C@H]([NH3+])C1 85014776 572091388 /nfs/dbraw/zinc/09/13/88/572091388.db2.gz QOLUJEQKNGLIII-QWRGUYRKSA-N 2 0 182.311 1.456 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH2+]CCC2CC2)C1 85016269 572091407 /nfs/dbraw/zinc/09/14/07/572091407.db2.gz CPIYZJPVIPWXQJ-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP CCC[N@H+](CCCC[NH3+])C1CC1 37096790 572091474 /nfs/dbraw/zinc/09/14/74/572091474.db2.gz RZEZQEWBKGVGIJ-UHFFFAOYSA-N 2 0 170.300 1.600 10 0 ADAERP CCCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014338 572091494 /nfs/dbraw/zinc/09/14/94/572091494.db2.gz KUTBHZUGKHTSDL-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CC[NH+](CC)C[C@H]1CC[C@H]([NH3+])C1 85014252 572091525 /nfs/dbraw/zinc/09/15/25/572091525.db2.gz DMEPFXUUFXJOHD-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 85014905 572091553 /nfs/dbraw/zinc/09/15/53/572091553.db2.gz SPERZZYHMTWVNM-NXEZZACHSA-N 2 0 170.300 1.359 10 0 ADAERP CCC[N@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CC1 85014542 572091563 /nfs/dbraw/zinc/09/15/63/572091563.db2.gz JBOZDOWNRCEJHB-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[N@H+](CC)C[C@@H](C)C(N)=[NH2+] 37095159 572091575 /nfs/dbraw/zinc/09/15/75/572091575.db2.gz PQZAZSILRQXHGY-MRVPVSSYSA-N 2 0 171.288 1.290 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85015743 572091866 /nfs/dbraw/zinc/09/18/66/572091866.db2.gz YRAFYRBWUZUCPT-DCAQKATOSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 85014540 572091895 /nfs/dbraw/zinc/09/18/95/572091895.db2.gz JBOZDOWNRCEJHB-MNOVXSKESA-N 2 0 196.338 1.988 10 0 ADAERP CCC[N@H+](CC)C[C@H]1CC[C@H]([NH3+])C1 85014531 572091947 /nfs/dbraw/zinc/09/19/47/572091947.db2.gz SVHZFQKJQCRPSV-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 85015005 572091976 /nfs/dbraw/zinc/09/19/76/572091976.db2.gz LPGPSZYOUVIDHU-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP C[NH2+]CCCC[NH2+]C[C@@H](C)C(C)C 82737963 572092046 /nfs/dbraw/zinc/09/20/46/572092046.db2.gz CSFACKIBCXXSDX-LLVKDONJSA-N 2 0 186.343 1.868 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH2+]CC2CC2)C1 85014953 572092048 /nfs/dbraw/zinc/09/20/48/572092048.db2.gz XSYCTZHBUWTKAQ-VHSXEESVSA-N 2 0 168.284 1.113 10 0 ADAERP CCC[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 85014528 572092066 /nfs/dbraw/zinc/09/20/66/572092066.db2.gz SVHZFQKJQCRPSV-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH2+]CC2CC2)C1 85014949 572092295 /nfs/dbraw/zinc/09/22/95/572092295.db2.gz XSYCTZHBUWTKAQ-UWVGGRQHSA-N 2 0 168.284 1.113 10 0 ADAERP CC[NH+](CC)C[C@@H]1CC[C@H]([NH3+])C1 85014250 572092107 /nfs/dbraw/zinc/09/21/07/572092107.db2.gz DMEPFXUUFXJOHD-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 85015738 572092211 /nfs/dbraw/zinc/09/22/11/572092211.db2.gz YRAFYRBWUZUCPT-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH2+]CCC2CC2)C1 85016272 572092213 /nfs/dbraw/zinc/09/22/13/572092213.db2.gz CPIYZJPVIPWXQJ-WDEREUQCSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH2+]Cc2ccco2)C1 85014860 572092226 /nfs/dbraw/zinc/09/22/26/572092226.db2.gz HYQPGEGFEHJNSZ-UWVGGRQHSA-N 2 0 194.278 1.497 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH2+]Cc2ccco2)C1 85014858 572092366 /nfs/dbraw/zinc/09/23/66/572092366.db2.gz HYQPGEGFEHJNSZ-ZJUUUORDSA-N 2 0 194.278 1.497 10 0 ADAERP CC[N@H+](C[C@H]1CC[C@H]([NH3+])C1)C(C)C 85014513 572092398 /nfs/dbraw/zinc/09/23/98/572092398.db2.gz GQQBUXKQUWNJPC-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)C[N@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014552 572092523 /nfs/dbraw/zinc/09/25/23/572092523.db2.gz IAZPVRSEKZGHNR-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP CC[N@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CC1 85014502 572092542 /nfs/dbraw/zinc/09/25/42/572092542.db2.gz BVTITSAVJMTOEL-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP CCC[N@H+](CCC(N)=[NH2+])C1CC1 37097432 572092741 /nfs/dbraw/zinc/09/27/41/572092741.db2.gz JAMXLWDPEYCVRD-UHFFFAOYSA-N 2 0 169.272 1.187 10 0 ADAERP C[C@@H](CN)[NH2+]CC1(C)CCCCC1 235126944 572092759 /nfs/dbraw/zinc/09/27/59/572092759.db2.gz FVHVGRALOBMSMG-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP CCCN(C)[C@H](C[NH3+])c1ccc(C)o1 37098044 572092860 /nfs/dbraw/zinc/09/28/60/572092860.db2.gz BTYIEIYLILDZFZ-SNVBAGLBSA-N 2 0 196.294 1.930 10 0 ADAERP CC[C@@H](CC[NH3+])[N@H+](C)CC(C)C 37099085 572092908 /nfs/dbraw/zinc/09/29/08/572092908.db2.gz XVCCOROHQREFAF-JTQLQIEISA-N 2 0 172.316 1.702 10 0 ADAERP C[C@@H](C[NH2+]CC1(C)CCC1)C1C[NH2+]C1 235128694 572092954 /nfs/dbraw/zinc/09/29/54/572092954.db2.gz RBEJRHYGVNKZJP-JTQLQIEISA-N 2 0 196.338 1.622 10 0 ADAERP CCC[N@@H+](C1CC1)[C@@H](CC)CC(N)=[NH2+] 37097398 572092984 /nfs/dbraw/zinc/09/29/84/572092984.db2.gz SVYSBOTVYNAEPE-VIFPVBQESA-N 2 0 197.326 1.965 10 0 ADAERP CC[C@H](CC[NH3+])[N@H+](C)CC(C)C 37099086 572093147 /nfs/dbraw/zinc/09/31/47/572093147.db2.gz XVCCOROHQREFAF-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CCC[N@H+](C)CC[C@H]1CCCC[NH2+]1 37098500 572093385 /nfs/dbraw/zinc/09/33/85/572093385.db2.gz GFPWXSAXVYVCHW-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC(C)[NH2+][C@@H](C)CN(C)C(C)C 238200183 572093521 /nfs/dbraw/zinc/09/35/21/572093521.db2.gz GWPTVLFNYQUJKU-JTQLQIEISA-N 2 0 172.316 1.713 10 0 ADAERP CCC[N@H+](C)CCCC(N)=[NH2+] 37098484 572093651 /nfs/dbraw/zinc/09/36/51/572093651.db2.gz RFFOCNRUAXYHHR-UHFFFAOYSA-N 2 0 157.261 1.044 10 0 ADAERP CCC[N@H+](C)[C@@H](CC)CC[NH3+] 37097910 572093660 /nfs/dbraw/zinc/09/36/60/572093660.db2.gz XKXWDXWQBVYISC-VIFPVBQESA-N 2 0 158.289 1.456 10 0 ADAERP CCC[N@H+](C)Cc1ccc(C[NH3+])cc1 37097936 572093672 /nfs/dbraw/zinc/09/36/72/572093672.db2.gz AJFCSXSHFMJDGT-UHFFFAOYSA-N 2 0 192.306 1.987 10 0 ADAERP CCC[N@H+](C)[C@H](CC)CC[NH3+] 37097911 572093742 /nfs/dbraw/zinc/09/37/42/572093742.db2.gz XKXWDXWQBVYISC-SECBINFHSA-N 2 0 158.289 1.456 10 0 ADAERP CCC[N@H+](C[C@H]([NH3+])C(C)C)C1CC1 37097473 572093837 /nfs/dbraw/zinc/09/38/37/572093837.db2.gz YFXUJCGDCKUJNP-NSHDSACASA-N 2 0 184.327 1.844 10 0 ADAERP CCC[N@H+](C)Cc1ccccc1C[NH3+] 37097935 572093864 /nfs/dbraw/zinc/09/38/64/572093864.db2.gz BARLNBHROVEZBD-UHFFFAOYSA-N 2 0 192.306 1.987 10 0 ADAERP CC(C)C[N@H+](C)C[C@H](C)C[NH3+] 37099088 572094894 /nfs/dbraw/zinc/09/48/94/572094894.db2.gz GNLRNIWQXRHLBW-SECBINFHSA-N 2 0 158.289 1.169 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H](C)C[NH3+] 37099087 572094004 /nfs/dbraw/zinc/09/40/04/572094004.db2.gz GNLRNIWQXRHLBW-VIFPVBQESA-N 2 0 158.289 1.169 10 0 ADAERP CCCN(CC[NH2+]C)C1CC1 37097471 572094149 /nfs/dbraw/zinc/09/41/49/572094149.db2.gz OYHPLWPPIOMJEN-UHFFFAOYSA-N 2 0 156.273 1.080 10 0 ADAERP CCC[N@H+](C[C@@H]([NH3+])C(C)C)C1CC1 37097474 572094188 /nfs/dbraw/zinc/09/41/88/572094188.db2.gz YFXUJCGDCKUJNP-LLVKDONJSA-N 2 0 184.327 1.844 10 0 ADAERP COC(C)(C)[C@H](C)[NH2+]CCCC[NH3+] 300933210 572094244 /nfs/dbraw/zinc/09/42/44/572094244.db2.gz FSKJNVRWOPOAAU-VIFPVBQESA-N 2 0 188.315 1.128 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@H+](C)CC(C)C 37108656 572094254 /nfs/dbraw/zinc/09/42/54/572094254.db2.gz ARHPOAGMFFKYSZ-SECBINFHSA-N 2 0 185.315 1.679 10 0 ADAERP CCC[N@H+](C)CC[C@@H]1CCCC[NH2+]1 37098499 572094359 /nfs/dbraw/zinc/09/43/59/572094359.db2.gz GFPWXSAXVYVCHW-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CCCN(C)[C@@H](C[NH3+])c1ccc(C)o1 37098043 572094560 /nfs/dbraw/zinc/09/45/60/572094560.db2.gz BTYIEIYLILDZFZ-JTQLQIEISA-N 2 0 196.294 1.930 10 0 ADAERP CCC[N@H+](C[C@@H](C)C(N)=[NH2+])C1CC1 37097428 572095099 /nfs/dbraw/zinc/09/50/99/572095099.db2.gz IUZJFYYDXZNXML-MRVPVSSYSA-N 2 0 183.299 1.433 10 0 ADAERP CCC[N@H+](CCCC(N)=[NH2+])C1CC1 37097431 572095139 /nfs/dbraw/zinc/09/51/39/572095139.db2.gz SWDQKZIEOIUCTC-UHFFFAOYSA-N 2 0 183.299 1.577 10 0 ADAERP CCC[NH2+][C@@H]1CCC[C@H]1n1ccnc1 37107325 572095168 /nfs/dbraw/zinc/09/51/68/572095168.db2.gz YJIFJODLAVXWHU-GHMZBOCLSA-N 2 0 193.294 1.976 10 0 ADAERP CC[N@H+](CCCC[NH3+])CC(C)C 37111015 572095668 /nfs/dbraw/zinc/09/56/68/572095668.db2.gz ATOPHNJRRYBPLB-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP CC[C@@H](C)[N@H+](CC)CCCC(N)=[NH2+] 37113325 572095963 /nfs/dbraw/zinc/09/59/63/572095963.db2.gz MDHKOMKJFSTDGY-SECBINFHSA-N 2 0 185.315 1.823 10 0 ADAERP CC[C@H](C)[N@H+](C)CCCC(N)=[NH2+] 37110353 572096013 /nfs/dbraw/zinc/09/60/13/572096013.db2.gz UPFWICUMZPENSK-QMMMGPOBSA-N 2 0 171.288 1.433 10 0 ADAERP CC[C@@H](C)[N@H+](C)CC[C@@H](C)[NH3+] 37109980 572096049 /nfs/dbraw/zinc/09/60/49/572096049.db2.gz YMQBZZJCTWOXCX-RKDXNWHRSA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@H](C)N(CC)C[C@@H]1CCC[NH2+]1 37113422 572096156 /nfs/dbraw/zinc/09/61/56/572096156.db2.gz PNQCRWXEOVXQSG-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@@H](C)[N@H+](CC)C[C@@H](C)C[NH3+] 37112427 572096499 /nfs/dbraw/zinc/09/64/99/572096499.db2.gz FRYYIHSWQMFLLZ-VHSXEESVSA-N 2 0 172.316 1.702 10 0 ADAERP CC[C@H](C)[N@H+](C)CC[C@@H](C)[NH3+] 37109981 572096604 /nfs/dbraw/zinc/09/66/04/572096604.db2.gz YMQBZZJCTWOXCX-BDAKNGLRSA-N 2 0 158.289 1.454 10 0 ADAERP CC[N@H+](CC[C@@H](C)[NH3+])CC(C)C 37111421 572096674 /nfs/dbraw/zinc/09/66/74/572096674.db2.gz JFMCTMCSVIMOFB-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CC[C@H](C)[N@H+](CC)C[C@@H](C)C[NH3+] 37112428 572096796 /nfs/dbraw/zinc/09/67/96/572096796.db2.gz FRYYIHSWQMFLLZ-UWVGGRQHSA-N 2 0 172.316 1.702 10 0 ADAERP CC[N@H+](CC(C)C)C[C@H](C)C[NH3+] 37111011 572096833 /nfs/dbraw/zinc/09/68/33/572096833.db2.gz RAYDDYZCONOPFT-SNVBAGLBSA-N 2 0 172.316 1.559 10 0 ADAERP CC[C@@H](C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 37110346 572097085 /nfs/dbraw/zinc/09/70/85/572097085.db2.gz NQDWSCARWNASTK-HTQZYQBOSA-N 2 0 171.288 1.289 10 0 ADAERP CC[C@@H](C)[N@H+](CC)CC[C@@H](C)[NH3+] 37112929 572097164 /nfs/dbraw/zinc/09/71/64/572097164.db2.gz MLRNYLRWBNILGD-NXEZZACHSA-N 2 0 172.316 1.844 10 0 ADAERP CC[C@H](C)[N@H+](CC)C1CC[NH2+]CC1 37113340 572097194 /nfs/dbraw/zinc/09/71/94/572097194.db2.gz NTPGEGIVQRCTLR-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H](C)[N@H+](CC)CC[C@@H](C)[NH3+] 37112930 572097297 /nfs/dbraw/zinc/09/72/97/572097297.db2.gz MLRNYLRWBNILGD-ZJUUUORDSA-N 2 0 172.316 1.844 10 0 ADAERP CC[N@H+](CCCC(N)=[NH2+])CC(C)C 37111660 572097306 /nfs/dbraw/zinc/09/73/06/572097306.db2.gz XYYZVEHHWPGSLL-UHFFFAOYSA-N 2 0 185.315 1.680 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)[C@H](C)CC 37110344 572097545 /nfs/dbraw/zinc/09/75/45/572097545.db2.gz PNWDHLYFXFUYCA-BDAKNGLRSA-N 2 0 185.315 1.821 10 0 ADAERP CC[C@H](C)[N@H+](C)[C@@H](CC)CC(N)=[NH2+] 37110345 572097903 /nfs/dbraw/zinc/09/79/03/572097903.db2.gz PNWDHLYFXFUYCA-IUCAKERBSA-N 2 0 185.315 1.821 10 0 ADAERP CC[C@@H](C)[N@H+](CC)CCC(N)=[NH2+] 37113327 572097715 /nfs/dbraw/zinc/09/77/15/572097715.db2.gz YYSWQZFNBDKFHK-MRVPVSSYSA-N 2 0 171.288 1.433 10 0 ADAERP CC[N@H+](CCC(N)=[NH2+])CC(C)C 37111661 572098018 /nfs/dbraw/zinc/09/80/18/572098018.db2.gz VTQLBXYWDNHMQZ-UHFFFAOYSA-N 2 0 171.288 1.290 10 0 ADAERP CC[C@H](C)[N@H+](CC)CCC(N)=[NH2+] 37113328 572098095 /nfs/dbraw/zinc/09/80/95/572098095.db2.gz YYSWQZFNBDKFHK-QMMMGPOBSA-N 2 0 171.288 1.433 10 0 ADAERP C[NH2+][C@@H]1CCC[C@H]2[C@@H]1CCC[N@@H+]2C 34589503 572098235 /nfs/dbraw/zinc/09/82/35/572098235.db2.gz AVXTWMLZJCZFEE-MXWKQRLJSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H](C)[N@H+](CC)C1CC[NH2+]CC1 37113339 572098280 /nfs/dbraw/zinc/09/82/80/572098280.db2.gz NTPGEGIVQRCTLR-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@@H](C)[N@H+](CC)C[C@@H](C)C(N)=[NH2+] 37113319 572098441 /nfs/dbraw/zinc/09/84/41/572098441.db2.gz CUPFELWDPPZUET-RKDXNWHRSA-N 2 0 185.315 1.679 10 0 ADAERP CC[C@@H](C)N(CC)C[C@@H]1CCC[NH2+]1 37113421 572098686 /nfs/dbraw/zinc/09/86/86/572098686.db2.gz PNQCRWXEOVXQSG-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H](C)[N@H+](CC)CCCC[NH3+] 37112436 572098845 /nfs/dbraw/zinc/09/88/45/572098845.db2.gz KRFIMHALNJZXJF-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP CC[N@H+](CC(C)C)C[C@@H](C)C[NH3+] 37111010 572098895 /nfs/dbraw/zinc/09/88/95/572098895.db2.gz RAYDDYZCONOPFT-JTQLQIEISA-N 2 0 172.316 1.559 10 0 ADAERP CC[C@H](C)[N@H+](CC)C[C@@H](C)C(N)=[NH2+] 37113320 572098988 /nfs/dbraw/zinc/09/89/88/572098988.db2.gz CUPFELWDPPZUET-BDAKNGLRSA-N 2 0 185.315 1.679 10 0 ADAERP CC[C@H](C)[N@H+](CC)CCCC(N)=[NH2+] 37113326 572099116 /nfs/dbraw/zinc/09/91/16/572099116.db2.gz MDHKOMKJFSTDGY-VIFPVBQESA-N 2 0 185.315 1.823 10 0 ADAERP CC[C@@H](C)[N@H+](C)CCCC(N)=[NH2+] 37110352 572099161 /nfs/dbraw/zinc/09/91/61/572099161.db2.gz UPFWICUMZPENSK-MRVPVSSYSA-N 2 0 171.288 1.433 10 0 ADAERP CC[C@@H](C)[N@H+](CC)CCCC[NH3+] 37112435 572099242 /nfs/dbraw/zinc/09/92/42/572099242.db2.gz KRFIMHALNJZXJF-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CCCC[C@H](C[NH3+])CC[NH3+] 34602107 572099437 /nfs/dbraw/zinc/09/94/37/572099437.db2.gz OBGJSGWIDSYGDT-QMMMGPOBSA-N 2 0 144.262 1.100 10 0 ADAERP C[NH2+]C[C@H](C)CCc1cc[nH+]c(N)c1 82763317 572099795 /nfs/dbraw/zinc/09/97/95/572099795.db2.gz KTHCYXDTNLECEV-SECBINFHSA-N 2 0 193.294 1.452 10 0 ADAERP C[N@H+](CCCC[NH3+])[C@H]1CCSC1 37116250 572099913 /nfs/dbraw/zinc/09/99/13/572099913.db2.gz NIVVERWADNOAHY-VIFPVBQESA-N 2 0 188.340 1.163 10 0 ADAERP CCCC[C@@H](C[NH3+])CC[NH3+] 34602108 572099950 /nfs/dbraw/zinc/09/99/50/572099950.db2.gz OBGJSGWIDSYGDT-MRVPVSSYSA-N 2 0 144.262 1.100 10 0 ADAERP 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1.452 10 0 ADAERP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(C)CC1 235130676 572100964 /nfs/dbraw/zinc/10/09/64/572100964.db2.gz CQZWBPNCGXOOSN-WDEREUQCSA-N 2 0 196.338 1.907 10 0 ADAERP C[NH2+]C[C@@H](C)Cc1c[nH+]ccc1N 82763260 572101145 /nfs/dbraw/zinc/10/11/45/572101145.db2.gz VSTPZNMAGHLNMT-QMMMGPOBSA-N 2 0 179.267 1.062 10 0 ADAERP C[NH2+]C[C@@H](C)CCc1c[nH+]ccc1N 82763314 572101474 /nfs/dbraw/zinc/10/14/74/572101474.db2.gz OWSGNJNGGSAHST-VIFPVBQESA-N 2 0 193.294 1.452 10 0 ADAERP C[NH2+]C[C@H](C)Cc1cc(C)c[nH+]c1N 82763388 572101591 /nfs/dbraw/zinc/10/15/91/572101591.db2.gz LWEZFXPRYOQMNQ-MRVPVSSYSA-N 2 0 193.294 1.370 10 0 ADAERP C[C@@H]1CCCC[C@]1([NH3+])[C@@H]1CCC[NH2+]1 687782563 572101659 /nfs/dbraw/zinc/10/16/59/572101659.db2.gz LGYZWUFLUMXGFC-OUAUKWLOSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@]([NH3+])(C1CC1)[C@@H]1CCCC[NH2+]1 687782528 572101745 /nfs/dbraw/zinc/10/17/45/572101745.db2.gz CXFMYSBXWSMRGY-UWVGGRQHSA-N 2 0 168.284 1.256 10 0 ADAERP CC[NH2+][C@@H](C)[C@@](C)([NH3+])C1CC1 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2 0 158.289 1.312 10 0 ADAERP CC(C)C[N@H+](C)CCC(C)(C)[NH3+] 82772902 572107793 /nfs/dbraw/zinc/10/77/93/572107793.db2.gz SXAWRPJLNVNVQL-UHFFFAOYSA-N 2 0 172.316 1.702 10 0 ADAERP CC(C)C[NH2+]CCC1([NH3+])CCCC1 82773057 572108001 /nfs/dbraw/zinc/10/80/01/572108001.db2.gz GJHSZBLRFFSAFS-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP C[N@H+](CCC(C)(C)[NH3+])CC1CC1 82773023 572108062 /nfs/dbraw/zinc/10/80/62/572108062.db2.gz JNWJHMCPQCYSDZ-UHFFFAOYSA-N 2 0 170.300 1.456 10 0 ADAERP CC[N@H+](CCC(C)(C)[NH3+])C(C)C 82772880 572108085 /nfs/dbraw/zinc/10/80/85/572108085.db2.gz UQXWLSXPLOLYDJ-UHFFFAOYSA-N 2 0 172.316 1.844 10 0 ADAERP [NH3+]C1(CC[NH2+]C2CC2)CCCCC1 82773056 572108286 /nfs/dbraw/zinc/10/82/86/572108286.db2.gz JBAASDDNOJSSKL-UHFFFAOYSA-N 2 0 182.311 1.790 10 0 ADAERP CC(C)[C@H](C)C[NH2+]CCC(C)(C)[NH3+] 82773495 572109094 /nfs/dbraw/zinc/10/90/94/572109094.db2.gz DQPGJHVCCBVQTL-SNVBAGLBSA-N 2 0 186.343 1.996 10 0 ADAERP CCC[N@H+](C)CCC(C)(C)[NH3+] 82772899 572108308 /nfs/dbraw/zinc/10/83/08/572108308.db2.gz HSYXDOHDQKOXOW-UHFFFAOYSA-N 2 0 158.289 1.456 10 0 ADAERP CC(C)([NH3+])CC[N@H+](CC1CC1)C1CC1 82773491 572109286 /nfs/dbraw/zinc/10/92/86/572109286.db2.gz KXCHXPYXUMAOIN-UHFFFAOYSA-N 2 0 196.338 1.988 10 0 ADAERP COC[C@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82773163 572108354 /nfs/dbraw/zinc/10/83/54/572108354.db2.gz YQTXPQIKEVLYAI-VIFPVBQESA-N 2 0 188.315 1.081 10 0 ADAERP CC(C)C[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 37264998 572108355 /nfs/dbraw/zinc/10/83/55/572108355.db2.gz JSHWVDSKLHOJGG-GHMZBOCLSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82772907 572108472 /nfs/dbraw/zinc/10/84/72/572108472.db2.gz LTXCHVWKTGCCMX-VIFPVBQESA-N 2 0 172.316 1.844 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]CCC1([NH3+])CCCC1 82773338 572108499 /nfs/dbraw/zinc/10/84/99/572108499.db2.gz MBRZAKZRITWNQC-NXEZZACHSA-N 2 0 182.311 1.646 10 0 ADAERP CCCC[NH2+]CCC(C)(C)[NH3+] 82773075 572108557 /nfs/dbraw/zinc/10/85/57/572108557.db2.gz CNXZEXYLHXKXSR-UHFFFAOYSA-N 2 0 158.289 1.504 10 0 ADAERP CC[C@H]1CCC[N@@H+]1CCC(C)(C)[NH3+] 82773019 572108725 /nfs/dbraw/zinc/10/87/25/572108725.db2.gz XYHCLAJGWRUORX-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC(C)([NH3+])CC[NH2+]CCc1ccco1 82773177 572108861 /nfs/dbraw/zinc/10/88/61/572108861.db2.gz UPONCCRTJOXBBB-UHFFFAOYSA-N 2 0 196.294 1.539 10 0 ADAERP CC[C@H]([NH2+]C)[C@@H]1CSCCN1C 234049809 572108887 /nfs/dbraw/zinc/10/88/87/572108887.db2.gz YMWCBEXAPRCVAV-IUCAKERBSA-N 2 0 188.340 1.032 10 0 ADAERP CC[N@H+](C)CCC1([NH3+])CCCC1 82772870 572108913 /nfs/dbraw/zinc/10/89/13/572108913.db2.gz PFXYLMDQEXTLOX-UHFFFAOYSA-N 2 0 170.300 1.600 10 0 ADAERP CC(C)[C@@H](C)C[NH2+]CCC(C)(C)[NH3+] 82773494 572109049 /nfs/dbraw/zinc/10/90/49/572109049.db2.gz DQPGJHVCCBVQTL-JTQLQIEISA-N 2 0 186.343 1.996 10 0 ADAERP CCC[N@H+](CCC(C)(C)[NH3+])C1CC1 82772896 572109249 /nfs/dbraw/zinc/10/92/49/572109249.db2.gz KFGDOTGINKOUFY-UHFFFAOYSA-N 2 0 184.327 1.988 10 0 ADAERP CC(C)([NH3+])CC[N@@H+]1C[C@H]2CC[C@@H]1C2 82773195 572109304 /nfs/dbraw/zinc/10/93/04/572109304.db2.gz RDPCQNYDDNLWJZ-VHSXEESVSA-N 2 0 182.311 1.598 10 0 ADAERP COC[C@@H](C)[N@H+](C)CCC(C)(C)[NH3+] 82773164 572109317 /nfs/dbraw/zinc/10/93/17/572109317.db2.gz YQTXPQIKEVLYAI-SECBINFHSA-N 2 0 188.315 1.081 10 0 ADAERP CC[C@H]1C[C@H]1[NH+]1CCC([NH2+]C)CC1 234054750 572109492 /nfs/dbraw/zinc/10/94/92/572109492.db2.gz RQLNLGDKVBAPRS-GXSJLCMTSA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+]C1(CC[NH2+]C2CC2)CCCC1 82773054 572109506 /nfs/dbraw/zinc/10/95/06/572109506.db2.gz JSLLDZCPCOQMHG-UHFFFAOYSA-N 2 0 168.284 1.400 10 0 ADAERP CCC[N@H+](CC)CCC(C)(C)[NH3+] 82772890 572109511 /nfs/dbraw/zinc/10/95/11/572109511.db2.gz QPBVVDAYQYCNEQ-UHFFFAOYSA-N 2 0 172.316 1.846 10 0 ADAERP CC(C)[N@H+](C)CCC1([NH3+])CCCC1 82772842 572109615 /nfs/dbraw/zinc/10/96/15/572109615.db2.gz YBBAGIYBWDXHBC-UHFFFAOYSA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H]([NH2+]C)[C@H]1CSCCN1C 234055680 572109853 /nfs/dbraw/zinc/10/98/53/572109853.db2.gz YMWCBEXAPRCVAV-DTWKUNHWSA-N 2 0 188.340 1.032 10 0 ADAERP COCCC[N@H+](C)CCC(C)(C)[NH3+] 82773385 572109921 /nfs/dbraw/zinc/10/99/21/572109921.db2.gz RMVBPFLTYHXTOW-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP CC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 82773050 572109942 /nfs/dbraw/zinc/10/99/42/572109942.db2.gz DMOXDWAIWJWAHO-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP CC(C)([NH3+])CC[NH2+][C@@H]1CC1(C)C 82773285 572109952 /nfs/dbraw/zinc/10/99/52/572109952.db2.gz IAKWMHYNYKDKKR-MRVPVSSYSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)[C@@](C)([NH3+])CC[NH+](C)C 17547193 572109976 /nfs/dbraw/zinc/10/99/76/572109976.db2.gz YEETWHGXJXYULX-VIFPVBQESA-N 2 0 158.289 1.312 10 0 ADAERP CC[NH2+]CCC[NH2+]C1(C)CCCC1 82785828 572110207 /nfs/dbraw/zinc/11/02/07/572110207.db2.gz VDJBPHKVWAJUQU-UHFFFAOYSA-N 2 0 184.327 1.908 10 0 ADAERP [NH3+]C1(CC[NH2+]CC2CC2)CCCC1 82773069 572110073 /nfs/dbraw/zinc/11/00/73/572110073.db2.gz IWSKUGLBEGXGHH-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP CCC(C)(C)[NH2+][C@H](C)CC[NH3+] 17648406 572110252 /nfs/dbraw/zinc/11/02/52/572110252.db2.gz JPZVPDLEEOIFEG-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP C1=C[C@@H](C[NH2+]C[C@H]2CCC[NH2+]2)CC1 711761777 572110370 /nfs/dbraw/zinc/11/03/70/572110370.db2.gz XJQIQXWKLMHDMX-GHMZBOCLSA-N 2 0 180.295 1.294 10 0 ADAERP CC1([NH2+]CCCC[NH3+])CCCC1 82785793 572110746 /nfs/dbraw/zinc/11/07/46/572110746.db2.gz QIGKUMXNGQJAGW-UHFFFAOYSA-N 2 0 170.300 1.648 10 0 ADAERP C[C@@H](CNc1[nH]cc[nH+]1)[NH+]1CCCC1 235142832 572110800 /nfs/dbraw/zinc/11/08/00/572110800.db2.gz FTMCTELYZPRXHI-VIFPVBQESA-N 2 0 194.282 1.306 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+]C1(C)CCCC1 82785823 572110947 /nfs/dbraw/zinc/11/09/47/572110947.db2.gz FUFRTVBNZPREEI-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP C1=C[C@H](C[NH2+]C[C@H]2CCC[NH2+]2)CC1 711761784 572111552 /nfs/dbraw/zinc/11/15/52/572111552.db2.gz XJQIQXWKLMHDMX-WDEREUQCSA-N 2 0 180.295 1.294 10 0 ADAERP CCC(C)(C)[NH2+][C@@H](C)CC[NH3+] 17648403 572111378 /nfs/dbraw/zinc/11/13/78/572111378.db2.gz JPZVPDLEEOIFEG-QMMMGPOBSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]C1(C)CCCC1 82785815 572111389 /nfs/dbraw/zinc/11/13/89/572111389.db2.gz LMELIBHVHQLGKG-SECBINFHSA-N 2 0 170.300 1.646 10 0 ADAERP [NH3+]CCCC[NH2+]CCCCC1CC1 80546922 572111420 /nfs/dbraw/zinc/11/14/20/572111420.db2.gz SJSGNYDYOFNXQO-UHFFFAOYSA-N 2 0 184.327 1.895 10 0 ADAERP C[C@@H]1C[C@H]1C[N@H+](C)CCC(C)(C)[NH3+] 82777073 572111474 /nfs/dbraw/zinc/11/14/74/572111474.db2.gz AZLJJMLNPHCGFG-ZJUUUORDSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+]C1(C)CCCC1 82785782 572111508 /nfs/dbraw/zinc/11/15/08/572111508.db2.gz HBVXWVXPMAEJKF-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP C[NH2+]CCCC[NH2+]C1(C)CCCC1 82785816 572111883 /nfs/dbraw/zinc/11/18/83/572111883.db2.gz LKQQKYWHKVWBKO-UHFFFAOYSA-N 2 0 184.327 1.908 10 0 ADAERP CC(C)([NH3+])C[NH2+]C[C@H]1C=CCC1 711762078 572112044 /nfs/dbraw/zinc/11/20/44/572112044.db2.gz YPAABPLTIBYREC-VIFPVBQESA-N 2 0 168.284 1.280 10 0 ADAERP C[C@H]1C[C@H]1C[N@H+](C)CCC(C)(C)[NH3+] 82777074 572112062 /nfs/dbraw/zinc/11/20/62/572112062.db2.gz AZLJJMLNPHCGFG-UWVGGRQHSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@@H]([NH3+])C[NH2+]C1(C)CCCC1 82785797 572112070 /nfs/dbraw/zinc/11/20/70/572112070.db2.gz BIGRFNXOKAVDIV-JTQLQIEISA-N 2 0 184.327 1.892 10 0 ADAERP CC[N@H+](CCC(C)(C)[NH3+])CC1CC1 82777080 572112269 /nfs/dbraw/zinc/11/22/69/572112269.db2.gz DPFJQAQKCUEZLD-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)([NH3+])C[NH2+]C[C@@H]1C=CCC1 711762077 572112312 /nfs/dbraw/zinc/11/23/12/572112312.db2.gz YPAABPLTIBYREC-SECBINFHSA-N 2 0 168.284 1.280 10 0 ADAERP CC(C)[NH2+]CC[NH2+]C1(C)CCCC1 82785802 572112322 /nfs/dbraw/zinc/11/23/22/572112322.db2.gz AASVZKYTGQIKRE-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP C1=C[C@H](C[NH2+]C[C@@H]2CCC[NH2+]2)CC1 711761782 572112330 /nfs/dbraw/zinc/11/23/30/572112330.db2.gz XJQIQXWKLMHDMX-QWRGUYRKSA-N 2 0 180.295 1.294 10 0 ADAERP C1=C[C@@H](C[NH2+]C2CC[NH2+]CC2)CC1 711762105 572112986 /nfs/dbraw/zinc/11/29/86/572112986.db2.gz YXOUCAKERSDRHG-SNVBAGLBSA-N 2 0 180.295 1.294 10 0 ADAERP CC(=O)C[C@H](C)[N@H+](C)C1CC[NH2+]CC1 82792550 572114117 /nfs/dbraw/zinc/11/41/17/572114117.db2.gz NGCRVAQQDGTYJX-VIFPVBQESA-N 2 0 198.310 1.038 10 0 ADAERP CC(=O)C[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 82792551 572114893 /nfs/dbraw/zinc/11/48/93/572114893.db2.gz NGCRVAQQDGTYJX-SECBINFHSA-N 2 0 198.310 1.038 10 0 ADAERP C[C@H](C[NH2+]C[C@H]1C=CCC1)C(=[NH2+])NO 711767741 572115134 /nfs/dbraw/zinc/11/51/34/572115134.db2.gz ZWNRVQMUEDKGDW-BDAKNGLRSA-N 2 0 197.282 1.134 10 0 ADAERP C[C@@H](C[NH2+]C[C@H]1C=CCC1)C(=[NH2+])NO 711767747 572115562 /nfs/dbraw/zinc/11/55/62/572115562.db2.gz ZWNRVQMUEDKGDW-IUCAKERBSA-N 2 0 197.282 1.134 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)C1CCCC1 82801219 572115581 /nfs/dbraw/zinc/11/55/81/572115581.db2.gz XTYRRGAZFICOSQ-ZJUUUORDSA-N 2 0 184.327 1.987 10 0 ADAERP C[C@@H](C[NH2+]C[C@@H]1C=CCC1)C(=[NH2+])NO 711767743 572115626 /nfs/dbraw/zinc/11/56/26/572115626.db2.gz ZWNRVQMUEDKGDW-DTWKUNHWSA-N 2 0 197.282 1.134 10 0 ADAERP CCC[N@H+](C)[C@H](C)C[C@@H](C)[NH2+]C 82801263 572115649 /nfs/dbraw/zinc/11/56/49/572115649.db2.gz KQNPCKPNJVSDMU-NXEZZACHSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C(C)C 82800974 572115720 /nfs/dbraw/zinc/11/57/20/572115720.db2.gz SYCPQQMXDFTNNH-NXEZZACHSA-N 2 0 172.316 1.713 10 0 ADAERP CCCC[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801056 572115851 /nfs/dbraw/zinc/11/58/51/572115851.db2.gz PCSMCTFLQNXFFL-ZJUUUORDSA-N 2 0 172.316 1.844 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@@H](C)[NH3+] 82800850 572115866 /nfs/dbraw/zinc/11/58/66/572115866.db2.gz MVERRCCCRSVAHE-RKDXNWHRSA-N 2 0 158.289 1.454 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)CC1CC1 82801598 572115915 /nfs/dbraw/zinc/11/59/15/572115915.db2.gz GYAPADGIWABDPD-DTWKUNHWSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801250 572115939 /nfs/dbraw/zinc/11/59/39/572115939.db2.gz NLNSREVBGLVXJS-ZJUUUORDSA-N 2 0 184.327 1.987 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801605 572116602 /nfs/dbraw/zinc/11/66/02/572116602.db2.gz BLVBBUUPQBVAAN-ZJUUUORDSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@@H](C)C[C@H](C)[NH+]1CCCC1 82800823 572115959 /nfs/dbraw/zinc/11/59/59/572115959.db2.gz LBJSXFVWIQUVOY-UWVGGRQHSA-N 2 0 170.300 1.469 10 0 ADAERP C[NH2+][C@@H](C)C[C@H](C)[N@H+](C)C1CC1 82801180 572115993 /nfs/dbraw/zinc/11/59/93/572115993.db2.gz SWSFKMZHKOTTRH-IUCAKERBSA-N 2 0 170.300 1.467 10 0 ADAERP CC[N@H+](C(C)C)[C@H](C)C[C@@H](C)[NH3+] 82801191 572116041 /nfs/dbraw/zinc/11/60/41/572116041.db2.gz NMHTVQBRTFHMKB-NXEZZACHSA-N 2 0 172.316 1.843 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C)[N@H+](C)CC1CC1 82801599 572116084 /nfs/dbraw/zinc/11/60/84/572116084.db2.gz GYAPADGIWABDPD-RKDXNWHRSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801577 572116109 /nfs/dbraw/zinc/11/61/09/572116109.db2.gz JXGVNXULAXEKMB-UTLUCORTSA-N 2 0 170.300 1.597 10 0 ADAERP COC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801891 572116122 /nfs/dbraw/zinc/11/61/22/572116122.db2.gz KUTUDEMGYZAQDV-UTLUCORTSA-N 2 0 188.315 1.079 10 0 ADAERP CC[C@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801587 572116142 /nfs/dbraw/zinc/11/61/42/572116142.db2.gz VIZVSRPWJSGHMT-VWYCJHECSA-N 2 0 184.327 1.987 10 0 ADAERP CCC[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801261 572116156 /nfs/dbraw/zinc/11/61/56/572116156.db2.gz VBMRHZFSFYBHCV-RKDXNWHRSA-N 2 0 158.289 1.454 10 0 ADAERP C[NH2+][C@@H](C)C[C@H](C)[NH+]1CCCCC1 82800985 572116180 /nfs/dbraw/zinc/11/61/80/572116180.db2.gz OGRCBAUFQJZHLB-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)C1CC1 82801178 572116190 /nfs/dbraw/zinc/11/61/90/572116190.db2.gz SWSFKMZHKOTTRH-DTWKUNHWSA-N 2 0 170.300 1.467 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CC[C@@H](C)C1 82801624 572116207 /nfs/dbraw/zinc/11/62/07/572116207.db2.gz QVCUHDBEWPXQRL-MXWKQRLJSA-N 2 0 184.327 1.715 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@H](C)[NH3+] 82800851 572116217 /nfs/dbraw/zinc/11/62/17/572116217.db2.gz MVERRCCCRSVAHE-IUCAKERBSA-N 2 0 158.289 1.454 10 0 ADAERP CC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82801165 572116222 /nfs/dbraw/zinc/11/62/22/572116222.db2.gz BXMCKTAWNSTXKO-NXEZZACHSA-N 2 0 184.327 1.857 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 82800940 572116298 /nfs/dbraw/zinc/11/62/98/572116298.db2.gz NGDBILYATBQIMS-MXWKQRLJSA-N 2 0 184.327 1.844 10 0 ADAERP CCC[N@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801230 572116349 /nfs/dbraw/zinc/11/63/49/572116349.db2.gz JWRBCPNHLVDRRA-ZJUUUORDSA-N 2 0 172.316 1.844 10 0 ADAERP C[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801602 572116356 /nfs/dbraw/zinc/11/63/56/572116356.db2.gz BLVBBUUPQBVAAN-VHSXEESVSA-N 2 0 184.327 1.715 10 0 ADAERP CCC(C)(C)N(C)CC(N)=[NH2+] 17712663 572116393 /nfs/dbraw/zinc/11/63/93/572116393.db2.gz NUEMZXYVYPUPSG-UHFFFAOYSA-N 2 0 157.261 1.043 10 0 ADAERP CC(C)C[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801273 572116499 /nfs/dbraw/zinc/11/64/99/572116499.db2.gz LDAKPIGOJVAWOW-NXEZZACHSA-N 2 0 172.316 1.700 10 0 ADAERP CC(C)C[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801272 572116529 /nfs/dbraw/zinc/11/65/29/572116529.db2.gz LDAKPIGOJVAWOW-ZJUUUORDSA-N 2 0 172.316 1.700 10 0 ADAERP CC[N@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801152 572116561 /nfs/dbraw/zinc/11/65/61/572116561.db2.gz OIVGAPZFHZHUQI-BDAKNGLRSA-N 2 0 158.289 1.325 10 0 ADAERP CC[NH2+][C@H](C)C[C@@H](C)[NH+](C)C 82801032 572116711 /nfs/dbraw/zinc/11/67/11/572116711.db2.gz MVTMGSKTXJDCGU-RKDXNWHRSA-N 2 0 158.289 1.325 10 0 ADAERP CCC[NH2+][C@@H](C)C[C@@H](C)[NH+](C)C 82801027 572116732 /nfs/dbraw/zinc/11/67/32/572116732.db2.gz XZHBYSCNPYLIGC-VHSXEESVSA-N 2 0 172.316 1.715 10 0 ADAERP CC[NH2+][C@@H](C)C[C@@H](C)[NH+](C)C 82801031 572116752 /nfs/dbraw/zinc/11/67/52/572116752.db2.gz MVTMGSKTXJDCGU-DTWKUNHWSA-N 2 0 158.289 1.325 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)CC1CC1 82801601 572116808 /nfs/dbraw/zinc/11/68/08/572116808.db2.gz GYAPADGIWABDPD-BDAKNGLRSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCCC1 82800821 572116776 /nfs/dbraw/zinc/11/67/76/572116776.db2.gz LBJSXFVWIQUVOY-VHSXEESVSA-N 2 0 170.300 1.469 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C1CC1 82801179 572116861 /nfs/dbraw/zinc/11/68/61/572116861.db2.gz SWSFKMZHKOTTRH-RKDXNWHRSA-N 2 0 170.300 1.467 10 0 ADAERP CC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)C1CC1 82801172 572116870 /nfs/dbraw/zinc/11/68/70/572116870.db2.gz IIIOAPMOKQFVBH-UWVGGRQHSA-N 2 0 184.327 1.857 10 0 ADAERP CC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82801164 572116891 /nfs/dbraw/zinc/11/68/91/572116891.db2.gz BXMCKTAWNSTXKO-ZJUUUORDSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@@H](C)C[C@H](C)[NH+]1CCCC1 82800815 572116904 /nfs/dbraw/zinc/11/69/04/572116904.db2.gz HYQZLTNXCZSILO-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@H](C)C[C@H](C)[N@H+](C)CC 82801149 572116915 /nfs/dbraw/zinc/11/69/15/572116915.db2.gz INPDPZXNGJZGHF-ZJUUUORDSA-N 2 0 172.316 1.715 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@@H](C)[NH2+]C 82800857 572117005 /nfs/dbraw/zinc/11/70/05/572117005.db2.gz UHRSERVWRJAXRB-ZJUUUORDSA-N 2 0 172.316 1.715 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C)[N@H+](C)C1CCCC1 82801217 572117018 /nfs/dbraw/zinc/11/70/18/572117018.db2.gz XTYRRGAZFICOSQ-NXEZZACHSA-N 2 0 184.327 1.987 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCC[C@@H]1C 82801579 572117063 /nfs/dbraw/zinc/11/70/63/572117063.db2.gz AENWMTUCZQXCDB-VWYCJHECSA-N 2 0 184.327 1.857 10 0 ADAERP CCCC[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801057 572117076 /nfs/dbraw/zinc/11/70/76/572117076.db2.gz PCSMCTFLQNXFFL-NXEZZACHSA-N 2 0 172.316 1.844 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CCC[C@H]1C 82801578 572117110 /nfs/dbraw/zinc/11/71/10/572117110.db2.gz AENWMTUCZQXCDB-MXWKQRLJSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@@H](C)[NH2+]C 82800858 572117123 /nfs/dbraw/zinc/11/71/23/572117123.db2.gz UHRSERVWRJAXRB-NXEZZACHSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)[NH+]1CCCC1 82800822 572117129 /nfs/dbraw/zinc/11/71/29/572117129.db2.gz LBJSXFVWIQUVOY-NXEZZACHSA-N 2 0 170.300 1.469 10 0 ADAERP CCC[NH2+][C@@H](C)C[C@H](C)[NH+](C)C 82801029 572117138 /nfs/dbraw/zinc/11/71/38/572117138.db2.gz XZHBYSCNPYLIGC-UWVGGRQHSA-N 2 0 172.316 1.715 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801586 572117178 /nfs/dbraw/zinc/11/71/78/572117178.db2.gz VIZVSRPWJSGHMT-OUAUKWLOSA-N 2 0 184.327 1.987 10 0 ADAERP CC[NH2+][C@H](C)C[C@@H](C)[NH+]1CCCC1 82800814 572117190 /nfs/dbraw/zinc/11/71/90/572117190.db2.gz HYQZLTNXCZSILO-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)C1CC1 82801170 572117230 /nfs/dbraw/zinc/11/72/30/572117230.db2.gz IIIOAPMOKQFVBH-VHSXEESVSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+](C)CC 82801146 572117287 /nfs/dbraw/zinc/11/72/87/572117287.db2.gz INPDPZXNGJZGHF-VHSXEESVSA-N 2 0 172.316 1.715 10 0 ADAERP CC[N@H+](C(C)C)[C@@H](C)C[C@@H](C)[NH3+] 82801190 572117052 /nfs/dbraw/zinc/11/70/52/572117052.db2.gz NMHTVQBRTFHMKB-ZJUUUORDSA-N 2 0 172.316 1.843 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801603 572117327 /nfs/dbraw/zinc/11/73/27/572117327.db2.gz BLVBBUUPQBVAAN-NXEZZACHSA-N 2 0 184.327 1.715 10 0 ADAERP CC[N@H+](CCOC)[C@H](C)C[C@@H](C)[NH3+] 82801865 572117370 /nfs/dbraw/zinc/11/73/70/572117370.db2.gz JJEHOQCCQFXZCF-NXEZZACHSA-N 2 0 188.315 1.081 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)[NH+]1CCCCC1 82800984 572117400 /nfs/dbraw/zinc/11/74/00/572117400.db2.gz OGRCBAUFQJZHLB-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[N@H+](CC)[C@H](C)C[C@@H](C)[NH3+] 82801231 572117433 /nfs/dbraw/zinc/11/74/33/572117433.db2.gz JWRBCPNHLVDRRA-NXEZZACHSA-N 2 0 172.316 1.844 10 0 ADAERP C[C@H](C[NH2+]C[C@@H]1C=CCC1)C(=[NH2+])NO 711767750 572117463 /nfs/dbraw/zinc/11/74/63/572117463.db2.gz ZWNRVQMUEDKGDW-RKDXNWHRSA-N 2 0 197.282 1.134 10 0 ADAERP CC[NH2+][C@H](C)C[C@H](C)[NH+]1CCCC1 82800816 572117541 /nfs/dbraw/zinc/11/75/41/572117541.db2.gz HYQZLTNXCZSILO-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)C[C@H](C)[N@H+](C)CC 82801148 572117629 /nfs/dbraw/zinc/11/76/29/572117629.db2.gz INPDPZXNGJZGHF-UWVGGRQHSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCCCC1 82800986 572117689 /nfs/dbraw/zinc/11/76/89/572117689.db2.gz OGRCBAUFQJZHLB-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)CC(C)C 82801274 572117843 /nfs/dbraw/zinc/11/78/43/572117843.db2.gz SGFLBHBHMUWAQM-MNOVXSKESA-N 2 0 186.343 1.961 10 0 ADAERP CC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)C1CC1 82801171 572117880 /nfs/dbraw/zinc/11/78/80/572117880.db2.gz IIIOAPMOKQFVBH-NXEZZACHSA-N 2 0 184.327 1.857 10 0 ADAERP CS[C@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 235145935 572117906 /nfs/dbraw/zinc/11/79/06/572117906.db2.gz ZCMDCPOEFAFLIE-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82800849 572117958 /nfs/dbraw/zinc/11/79/58/572117958.db2.gz MVERRCCCRSVAHE-BDAKNGLRSA-N 2 0 158.289 1.454 10 0 ADAERP CC[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CC 82801147 572117950 /nfs/dbraw/zinc/11/79/50/572117950.db2.gz INPDPZXNGJZGHF-NXEZZACHSA-N 2 0 172.316 1.715 10 0 ADAERP CC[N@H+](CCOC)[C@@H](C)C[C@@H](C)[NH3+] 82801864 572117965 /nfs/dbraw/zinc/11/79/65/572117965.db2.gz JJEHOQCCQFXZCF-ZJUUUORDSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)C1CCCC1 82801216 572118001 /nfs/dbraw/zinc/11/80/01/572118001.db2.gz XTYRRGAZFICOSQ-VHSXEESVSA-N 2 0 184.327 1.987 10 0 ADAERP CCC[NH2+][C@H](C)C[C@H](C)[NH+](C)C 82801030 572118008 /nfs/dbraw/zinc/11/80/08/572118008.db2.gz XZHBYSCNPYLIGC-ZJUUUORDSA-N 2 0 172.316 1.715 10 0 ADAERP CC[NH2+][C@H](C)C[C@H](C)[NH+](C)C 82801034 572118014 /nfs/dbraw/zinc/11/80/14/572118014.db2.gz MVTMGSKTXJDCGU-BDAKNGLRSA-N 2 0 158.289 1.325 10 0 ADAERP C[C@@H](C1CC1)[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801456 572118055 /nfs/dbraw/zinc/11/80/55/572118055.db2.gz GWHRBSCWODVZIZ-BBBLOLIVSA-N 2 0 184.327 1.843 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)C1CCCC1 82801218 572118100 /nfs/dbraw/zinc/11/81/00/572118100.db2.gz XTYRRGAZFICOSQ-UWVGGRQHSA-N 2 0 184.327 1.987 10 0 ADAERP CC[N@H+](C)[C@H](C)C[C@@H](C)[NH2+]C 82801153 572118123 /nfs/dbraw/zinc/11/81/23/572118123.db2.gz OIVGAPZFHZHUQI-RKDXNWHRSA-N 2 0 158.289 1.325 10 0 ADAERP COC[C@H](C)[N@H+](C)[C@@H](C)C[C@H](C)[NH3+] 82801890 572118153 /nfs/dbraw/zinc/11/81/53/572118153.db2.gz KUTUDEMGYZAQDV-GUBZILKMSA-N 2 0 188.315 1.079 10 0 ADAERP CCC[NH2+][C@H](C)C[C@@H](C)[NH+](C)C 82801028 572118278 /nfs/dbraw/zinc/11/82/78/572118278.db2.gz XZHBYSCNPYLIGC-NXEZZACHSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)C1CC1 82801181 572118299 /nfs/dbraw/zinc/11/82/99/572118299.db2.gz SWSFKMZHKOTTRH-BDAKNGLRSA-N 2 0 170.300 1.467 10 0 ADAERP CC[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801282 572118341 /nfs/dbraw/zinc/11/83/41/572118341.db2.gz QDKBNUYFHDCTPJ-BBBLOLIVSA-N 2 0 172.316 1.843 10 0 ADAERP C[C@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82800878 572118397 /nfs/dbraw/zinc/11/83/97/572118397.db2.gz IPTBBLZGXCSRHD-VWYCJHECSA-N 2 0 184.327 1.987 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@H](C)[NH2+]C 82800860 572118402 /nfs/dbraw/zinc/11/84/02/572118402.db2.gz UHRSERVWRJAXRB-VHSXEESVSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C)C1 82801625 572118407 /nfs/dbraw/zinc/11/84/07/572118407.db2.gz QVCUHDBEWPXQRL-AXFHLTTASA-N 2 0 184.327 1.715 10 0 ADAERP COC[C@H](C)[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801889 572118467 /nfs/dbraw/zinc/11/84/67/572118467.db2.gz KUTUDEMGYZAQDV-BBBLOLIVSA-N 2 0 188.315 1.079 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 82801455 572118534 /nfs/dbraw/zinc/11/85/34/572118534.db2.gz GWHRBSCWODVZIZ-AEJSXWLSSA-N 2 0 184.327 1.843 10 0 ADAERP CC[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCCC1 82800813 572118575 /nfs/dbraw/zinc/11/85/75/572118575.db2.gz HYQZLTNXCZSILO-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP COC[C@H](C)[N@H+](C)[C@H](C)C[C@H](C)[NH3+] 82801888 572118580 /nfs/dbraw/zinc/11/85/80/572118580.db2.gz KUTUDEMGYZAQDV-AEJSXWLSSA-N 2 0 188.315 1.079 10 0 ADAERP CC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801162 572118598 /nfs/dbraw/zinc/11/85/98/572118598.db2.gz SEZLXCJVIUGYHN-BDAKNGLRSA-N 2 0 170.300 1.597 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@H](C)[NH3+] 82800852 572118607 /nfs/dbraw/zinc/11/86/07/572118607.db2.gz MVERRCCCRSVAHE-DTWKUNHWSA-N 2 0 158.289 1.454 10 0 ADAERP C[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCCCC1 82800983 572118642 /nfs/dbraw/zinc/11/86/42/572118642.db2.gz OGRCBAUFQJZHLB-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)C[C@H](C)[NH+](C)C 82801033 572118658 /nfs/dbraw/zinc/11/86/58/572118658.db2.gz MVTMGSKTXJDCGU-IUCAKERBSA-N 2 0 158.289 1.325 10 0 ADAERP CC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801283 572118769 /nfs/dbraw/zinc/11/87/69/572118769.db2.gz QDKBNUYFHDCTPJ-UTLUCORTSA-N 2 0 172.316 1.843 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@@H+]1CC[C@@H](C)C1 82801622 572118801 /nfs/dbraw/zinc/11/88/01/572118801.db2.gz VVQUSLYYFWSLKR-BBBLOLIVSA-N 2 0 170.300 1.454 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@H](C)[NH2+]C 82800859 572118824 /nfs/dbraw/zinc/11/88/24/572118824.db2.gz UHRSERVWRJAXRB-UWVGGRQHSA-N 2 0 172.316 1.715 10 0 ADAERP CCC[N@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801262 572118951 /nfs/dbraw/zinc/11/89/51/572118951.db2.gz KQNPCKPNJVSDMU-ZJUUUORDSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)[N@H+](C)CC(C)C 82801275 572118962 /nfs/dbraw/zinc/11/89/62/572118962.db2.gz SGFLBHBHMUWAQM-GHMZBOCLSA-N 2 0 186.343 1.961 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)CC1CC1 82801600 572118982 /nfs/dbraw/zinc/11/89/82/572118982.db2.gz GYAPADGIWABDPD-IUCAKERBSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)[C@@H](C)C1CC1 82801458 572119069 /nfs/dbraw/zinc/11/90/69/572119069.db2.gz GWHRBSCWODVZIZ-UTLUCORTSA-N 2 0 184.327 1.843 10 0 ADAERP C[NH2+][C@@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801604 572119101 /nfs/dbraw/zinc/11/91/01/572119101.db2.gz BLVBBUUPQBVAAN-UWVGGRQHSA-N 2 0 184.327 1.715 10 0 ADAERP CC[NH2+][C@H](C)C[C@H](C)[N@H+](C)C1CC1 82801173 572119140 /nfs/dbraw/zinc/11/91/40/572119140.db2.gz IIIOAPMOKQFVBH-ZJUUUORDSA-N 2 0 184.327 1.857 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCCC1 82800824 572119175 /nfs/dbraw/zinc/11/91/75/572119175.db2.gz LBJSXFVWIQUVOY-ZJUUUORDSA-N 2 0 170.300 1.469 10 0 ADAERP CC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801163 572119210 /nfs/dbraw/zinc/11/92/10/572119210.db2.gz SEZLXCJVIUGYHN-RKDXNWHRSA-N 2 0 170.300 1.597 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)C(C)C 82802692 572120782 /nfs/dbraw/zinc/12/07/82/572120782.db2.gz SYCPQQMXDFTNNH-ZJUUUORDSA-N 2 0 172.316 1.713 10 0 ADAERP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484551 572119399 /nfs/dbraw/zinc/11/93/99/572119399.db2.gz CBGCREFVDMSFNP-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH3+] 82802505 572119471 /nfs/dbraw/zinc/11/94/71/572119471.db2.gz UESYKFADOVLWNL-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP COCCC[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802287 572119483 /nfs/dbraw/zinc/11/94/83/572119483.db2.gz PBLBZPLXAVZKOU-ZJUUUORDSA-N 2 0 188.315 1.081 10 0 ADAERP COCCC[N@H+](C)[C@@H](C)C[C@H](C)[NH3+] 82802286 572119490 /nfs/dbraw/zinc/11/94/90/572119490.db2.gz PBLBZPLXAVZKOU-UWVGGRQHSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[N@H+](CC1CC1)C1CC1 82803411 572119642 /nfs/dbraw/zinc/11/96/42/572119642.db2.gz JWQARQNMRZWHLS-UWVGGRQHSA-N 2 0 196.338 1.987 10 0 ADAERP C1=C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)CC1 711776888 572119657 /nfs/dbraw/zinc/11/96/57/572119657.db2.gz IYFDCNNNLFXBFL-RYUDHWBXSA-N 2 0 194.322 1.684 10 0 ADAERP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802491 572119807 /nfs/dbraw/zinc/11/98/07/572119807.db2.gz NXXGCSYOLFKTIL-VLEAKVRGSA-N 2 0 184.327 1.700 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[N@H+](C)CC1CCC1 82802234 572119903 /nfs/dbraw/zinc/11/99/03/572119903.db2.gz YWURRPJKRXMDFU-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP CC[N@H+](C)CCC[NH2+]C(C)(C)C 37482929 572119939 /nfs/dbraw/zinc/11/99/39/572119939.db2.gz HCVWXFZXJORFGU-UHFFFAOYSA-N 2 0 172.316 1.716 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 82802492 572120829 /nfs/dbraw/zinc/12/08/29/572120829.db2.gz YQAYEHZHWZQWNP-WISYIIOYSA-N 2 0 198.354 1.961 10 0 ADAERP COCCC[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82802285 572120174 /nfs/dbraw/zinc/12/01/74/572120174.db2.gz PBLBZPLXAVZKOU-NXEZZACHSA-N 2 0 188.315 1.081 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82802495 572120252 /nfs/dbraw/zinc/12/02/52/572120252.db2.gz YQAYEHZHWZQWNP-USZNOCQGSA-N 2 0 198.354 1.961 10 0 ADAERP CC[NH2+][C@H](C)CC[NH2+][C@H](C)C1CC1 398027076 572120312 /nfs/dbraw/zinc/12/03/12/572120312.db2.gz CTFHYXIIVBUBQB-NXEZZACHSA-N 2 0 184.327 1.763 10 0 ADAERP COCCC[N@H+](C)[C@H](C)C[C@H](C)[NH3+] 82802284 572120391 /nfs/dbraw/zinc/12/03/91/572120391.db2.gz PBLBZPLXAVZKOU-VHSXEESVSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)CC1CCC1 82802236 572120954 /nfs/dbraw/zinc/12/09/54/572120954.db2.gz YWURRPJKRXMDFU-UWVGGRQHSA-N 2 0 184.327 1.844 10 0 ADAERP 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CC1([NH2+]CC[NH2+]CC2CC2)CCCC1 82802761 572121659 /nfs/dbraw/zinc/12/16/59/572121659.db2.gz YSDCPUUGRPTSFS-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C)[N@H+](C)CC1CCC1 82802235 572121784 /nfs/dbraw/zinc/12/17/84/572121784.db2.gz YWURRPJKRXMDFU-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+][C@H](C)C[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 82802494 572121957 /nfs/dbraw/zinc/12/19/57/572121957.db2.gz YQAYEHZHWZQWNP-WYUUTHIRSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](CC1CC1)C1CC1 82803413 572122034 /nfs/dbraw/zinc/12/20/34/572122034.db2.gz JWQARQNMRZWHLS-ZJUUUORDSA-N 2 0 196.338 1.987 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82802504 572122048 /nfs/dbraw/zinc/12/20/48/572122048.db2.gz UESYKFADOVLWNL-ZJUUUORDSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]Cc1cccc2c1C[N@H+](C)CC2 214611216 572122106 /nfs/dbraw/zinc/12/21/06/572122106.db2.gz NEMJXSWSVVPOJY-UHFFFAOYSA-N 2 0 190.290 1.394 10 0 ADAERP C/C=C/C[N@H+]1CCC[C@H]([C@H](C)[NH2+]C)C1 300331552 572122677 /nfs/dbraw/zinc/12/26/77/572122677.db2.gz YQVOWYRSERQDMA-XMXMHJJKSA-N 2 0 196.338 1.882 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)Cc1cc[nH+]c(N)c1 82807961 572122710 /nfs/dbraw/zinc/12/27/10/572122710.db2.gz KUZZMSKDAXEMAK-IUCAKERBSA-N 2 0 193.294 1.580 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)Cc1c[nH+]ccc1N 82807952 572122763 /nfs/dbraw/zinc/12/27/63/572122763.db2.gz NBQXJQNZYVTKAF-BDAKNGLRSA-N 2 0 193.294 1.580 10 0 ADAERP C[C@@H]([NH3+])C[C@H](C)Cc1c[nH+]ccc1N 82807950 572123322 /nfs/dbraw/zinc/12/33/22/572123322.db2.gz NBQXJQNZYVTKAF-DTWKUNHWSA-N 2 0 193.294 1.580 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)Cc1cc[nH+]c(N)c1 82807959 572123468 /nfs/dbraw/zinc/12/34/68/572123468.db2.gz KUZZMSKDAXEMAK-BDAKNGLRSA-N 2 0 193.294 1.580 10 0 ADAERP C[NH2+][C@H](C)C[C@@H](C)c1c[nH+]ccc1N 82808869 572123501 /nfs/dbraw/zinc/12/35/01/572123501.db2.gz AGMGDLXTCLMMTM-RKDXNWHRSA-N 2 0 193.294 1.765 10 0 ADAERP CCn1c(N)[nH+]c2ccc(C[NH3+])cc21 214608415 572123639 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CCC[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 300345891 572124621 /nfs/dbraw/zinc/12/46/21/572124621.db2.gz GZMLTCKCOBUCRS-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)([NH3+])CCC[NH2+]CC1CC1 69634609 572124715 /nfs/dbraw/zinc/12/47/15/572124715.db2.gz RRDRYWPWXBTWTC-UHFFFAOYSA-N 2 0 170.300 1.504 10 0 ADAERP CCC(C)(C)[N@H+](C)C[C@@H](C)C[NH2+]C 69631178 572124825 /nfs/dbraw/zinc/12/48/25/572124825.db2.gz QVKQSQTXVKLKAW-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP CCC[C@@H](C)[C@H](CC[NH+](C)C)[NH2+]C 300345413 572124883 /nfs/dbraw/zinc/12/48/83/572124883.db2.gz VUJQNQDLRJXPKK-MNOVXSKESA-N 2 0 186.343 1.962 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@H]([NH2+]C)[C@H](CC)C1 300343318 572124964 /nfs/dbraw/zinc/12/49/64/572124964.db2.gz LLHURSMCAWFEOT-XCOQAZTISA-N 2 0 196.338 1.882 10 0 ADAERP C[N@H+](CCCC(C)(C)[NH3+])C1CC1 69634439 572125061 /nfs/dbraw/zinc/12/50/61/572125061.db2.gz AUSDNPCWJYYKPW-UHFFFAOYSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 300345892 572125175 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1.456 10 0 ADAERP C[NH2+]C[C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 69627287 572126760 /nfs/dbraw/zinc/12/67/60/572126760.db2.gz NFWJNYMKCJYRQR-DCAQKATOSA-N 2 0 184.327 1.430 10 0 ADAERP CC[C@@H](C)[NH2+]CCCC(C)(C)[NH3+] 69634592 572126803 /nfs/dbraw/zinc/12/68/03/572126803.db2.gz JZYXDRBNQBASIQ-SECBINFHSA-N 2 0 172.316 1.892 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CCCC(C)(C)[NH3+] 69634562 572126828 /nfs/dbraw/zinc/12/68/28/572126828.db2.gz OGADNUIZBPRGQG-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]CCCC(C)(C)[NH3+] 69634901 572126839 /nfs/dbraw/zinc/12/68/39/572126839.db2.gz AWUJIVSFOUWTRV-IUCAKERBSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[NH2+]CCCC(C)(C)[NH3+] 69634584 572126841 /nfs/dbraw/zinc/12/68/41/572126841.db2.gz ONECIYGBOIJQGF-UHFFFAOYSA-N 2 0 158.289 1.504 10 0 ADAERP CC[NH2+]C[C@@H](C)C[N@H+](CC)CC1CC1 69630386 572126845 /nfs/dbraw/zinc/12/68/45/572126845.db2.gz CJHPMFCVSGOIPA-LLVKDONJSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[NH2+]CCCC(C)(C)[NH3+] 69634587 572126957 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170.300 1.502 10 0 ADAERP COCC[N@H+](C)CCCC(C)(C)[NH3+] 69634654 572126978 /nfs/dbraw/zinc/12/69/78/572126978.db2.gz HRYWELMICQHYQU-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP CC(C)([NH3+])CCC[NH2+]C(C)(C)C 69634585 572127242 /nfs/dbraw/zinc/12/72/42/572127242.db2.gz PKWBJEKQPLMWTQ-UHFFFAOYSA-N 2 0 172.316 1.892 10 0 ADAERP C[C@@H]1CC[N@H+](CCCC(C)(C)[NH3+])C1 69634628 572127269 /nfs/dbraw/zinc/12/72/69/572127269.db2.gz QGBXFUZYDHGPGS-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)([NH3+])CCC[NH2+]C1CC1 69634597 572127275 /nfs/dbraw/zinc/12/72/75/572127275.db2.gz VMFRVQWFQMJLBP-UHFFFAOYSA-N 2 0 156.273 1.256 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]CCCC(C)(C)[NH3+] 69634902 572127318 /nfs/dbraw/zinc/12/73/18/572127318.db2.gz AWUJIVSFOUWTRV-RKDXNWHRSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)([NH3+])CCC[NH2+][C@@H]1CC1(C)C 69634850 572127326 /nfs/dbraw/zinc/12/73/26/572127326.db2.gz JJLAFOISCLDVRY-SECBINFHSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1CC([NH2+]CCC[NH3+])C[C@H](C)C1 82830192 572129413 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GPVMNHHEPIHMAJ-SNVBAGLBSA-N 2 0 184.327 1.622 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 300378719 572137637 /nfs/dbraw/zinc/13/76/37/572137637.db2.gz GWZWFBPWWNLHQU-YFKTTZPYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723917 572137692 /nfs/dbraw/zinc/13/76/92/572137692.db2.gz DLLPJFMMFQNTPC-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP CC[N@@H+]1CCCC[C@H]1CC[NH2+]C 69730748 572137712 /nfs/dbraw/zinc/13/77/12/572137712.db2.gz QRSHOMHREDRULB-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 300378715 572137761 /nfs/dbraw/zinc/13/77/61/572137761.db2.gz GWZWFBPWWNLHQU-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC[NH2+]C1CC1 300377013 572137765 /nfs/dbraw/zinc/13/77/65/572137765.db2.gz FFAGWZVGXAHFKE-PWSUYJOCSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H](C)C1CC1 69727546 572137794 /nfs/dbraw/zinc/13/77/94/572137794.db2.gz QXTQZKFOVPPHPZ-GARJFASQSA-N 2 0 196.338 1.844 10 0 ADAERP CCC[C@@H](C)[C@H]([NH3+])c1cncn1C 300350530 572137857 /nfs/dbraw/zinc/13/78/57/572137857.db2.gz WKFBEJULJIJYLC-SCZZXKLOSA-N 2 0 181.283 1.856 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 300378717 572138044 /nfs/dbraw/zinc/13/80/44/572138044.db2.gz GWZWFBPWWNLHQU-QCNOEVLYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H](C1CC1)[N@@H+]1CCC[C@H](CC[NH3+])C1 69723913 572138127 /nfs/dbraw/zinc/13/81/27/572138127.db2.gz DLLPJFMMFQNTPC-WDEREUQCSA-N 2 0 196.338 1.846 10 0 ADAERP CCC[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 300352448 572138270 /nfs/dbraw/zinc/13/82/70/572138270.db2.gz LSZASCVEFMCOTR-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])CC 300378115 572138335 /nfs/dbraw/zinc/13/83/35/572138335.db2.gz GERHUZHCTSAOJU-OPRDCNLKSA-N 2 0 170.300 1.502 10 0 ADAERP CCCC[NH2+]CCCCC[NH3+] 69734583 572138559 /nfs/dbraw/zinc/13/85/59/572138559.db2.gz GDRAZVJRSAWSOY-UHFFFAOYSA-N 2 0 158.289 1.505 10 0 ADAERP CC[C@H](C)[NH2+]CCCCC[NH3+] 69734568 572138637 /nfs/dbraw/zinc/13/86/37/572138637.db2.gz VEBYXHAJPKDIFM-VIFPVBQESA-N 2 0 158.289 1.504 10 0 ADAERP CC[C@H]1C[N@H+](C)CCCN1C(C)=[NH2+] 234062405 572138638 /nfs/dbraw/zinc/13/86/38/572138638.db2.gz CDKLMKCEJFPNEJ-JTQLQIEISA-N 2 0 183.299 1.400 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)([NH3+])CC 300379363 572138654 /nfs/dbraw/zinc/13/86/54/572138654.db2.gz HFGTVMWSLXYXFW-OUAUKWLOSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 300379373 572138687 /nfs/dbraw/zinc/13/86/87/572138687.db2.gz HGGDCYNAVIUYDT-VWYCJHECSA-N 2 0 182.311 1.517 10 0 ADAERP [NH3+]CCCCC[NH2+]CC1CC1 69734578 572138896 /nfs/dbraw/zinc/13/88/96/572138896.db2.gz QDKZYAZNMPNSBX-UHFFFAOYSA-N 2 0 156.273 1.115 10 0 ADAERP CC[C@@H](C)C[NH2+]CCCCC[NH3+] 69734687 572138946 /nfs/dbraw/zinc/13/89/46/572138946.db2.gz AYVIJSNIKOOVRG-SNVBAGLBSA-N 2 0 172.316 1.751 10 0 ADAERP CC(C)C[NH2+]CCCCC[NH3+] 69734573 572138949 /nfs/dbraw/zinc/13/89/49/572138949.db2.gz LYXHVPKKRUSDBU-UHFFFAOYSA-N 2 0 158.289 1.361 10 0 ADAERP [NH3+]CCCCC[NH2+]C(C1CC1)C1CC1 69734606 572138981 /nfs/dbraw/zinc/13/89/81/572138981.db2.gz HNOYINRSAHKRCY-UHFFFAOYSA-N 2 0 196.338 1.894 10 0 ADAERP CC[C@@H](C)[NH2+]CCCCC[NH3+] 69734565 572139024 /nfs/dbraw/zinc/13/90/24/572139024.db2.gz VEBYXHAJPKDIFM-SECBINFHSA-N 2 0 158.289 1.504 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CCCCC[NH3+] 69734660 572139137 /nfs/dbraw/zinc/13/91/37/572139137.db2.gz CRFWRUOPIXVBGJ-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]([NH3+])CCCC[NH2+]CC1(C)CC1 235151921 572139257 /nfs/dbraw/zinc/13/92/57/572139257.db2.gz RKJPTRAQDOFBRD-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 300379288 572139311 /nfs/dbraw/zinc/13/93/11/572139311.db2.gz HBCOGJLDJXJEFR-MXWKQRLJSA-N 2 0 196.338 1.750 10 0 ADAERP [NH3+]CCCCC[NH2+]CCC(F)(F)F 69734695 572139322 /nfs/dbraw/zinc/13/93/22/572139322.db2.gz OXYBRMMRMGIEOY-UHFFFAOYSA-N 2 0 198.232 1.657 10 0 ADAERP [NH3+]CCCCC[NH2+]CCc1ccco1 69734605 572139337 /nfs/dbraw/zinc/13/93/37/572139337.db2.gz JTWMCOBCGDUEMY-UHFFFAOYSA-N 2 0 196.294 1.541 10 0 ADAERP [NH3+]CCCCC[NH2+]Cc1ccco1 69734563 572139358 /nfs/dbraw/zinc/13/93/58/572139358.db2.gz NNIYTNVFIJESLT-UHFFFAOYSA-N 2 0 182.267 1.498 10 0 ADAERP CC(C)(C)C[NH2+]CCCCC[NH3+] 69734593 572139376 /nfs/dbraw/zinc/13/93/76/572139376.db2.gz KQJAXJPADXCPDM-UHFFFAOYSA-N 2 0 172.316 1.751 10 0 ADAERP [NH3+]CCCCC[NH2+]Cc1ccsc1 69734701 572139421 /nfs/dbraw/zinc/13/94/21/572139421.db2.gz QHKHRZJTMPCXIN-UHFFFAOYSA-N 2 0 198.335 1.967 10 0 ADAERP [NH3+]CCCCC[NH2+]C1CCC1 69734674 572139592 /nfs/dbraw/zinc/13/95/92/572139592.db2.gz YFDBCJJDSCLKIQ-UHFFFAOYSA-N 2 0 156.273 1.258 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]1 300379372 572139609 /nfs/dbraw/zinc/13/96/09/572139609.db2.gz HGGDCYNAVIUYDT-OUAUKWLOSA-N 2 0 182.311 1.517 10 0 ADAERP Cc1ccc(C[NH2+]CCCCC[NH3+])o1 69734682 572139711 /nfs/dbraw/zinc/13/97/11/572139711.db2.gz SEFPSPWYCZAMQK-UHFFFAOYSA-N 2 0 196.294 1.807 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]CCCCC[NH3+] 69734676 572139751 /nfs/dbraw/zinc/13/97/51/572139751.db2.gz VTDNLXBALUJTIG-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)([NH3+])CC 300379364 572139761 /nfs/dbraw/zinc/13/97/61/572139761.db2.gz HFGTVMWSLXYXFW-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]CCCCC[NH3+] 69734678 572140205 /nfs/dbraw/zinc/14/02/05/572140205.db2.gz VTDNLXBALUJTIG-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]CCCCC[NH3+] 69734680 572140055 /nfs/dbraw/zinc/14/00/55/572140055.db2.gz VTDNLXBALUJTIG-RKDXNWHRSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+]CCCCC[NH2+]C1CCCC1 69734575 572140106 /nfs/dbraw/zinc/14/01/06/572140106.db2.gz SXPVJZADNATUGH-UHFFFAOYSA-N 2 0 170.300 1.648 10 0 ADAERP CC[C@H](C)C[NH2+]CCCCC[NH3+] 69734688 572140121 /nfs/dbraw/zinc/14/01/21/572140121.db2.gz AYVIJSNIKOOVRG-JTQLQIEISA-N 2 0 172.316 1.751 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@](C)([NH3+])CC 300379362 572140182 /nfs/dbraw/zinc/14/01/82/572140182.db2.gz HFGTVMWSLXYXFW-GMTAPVOTSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]CCCCC[NH3+] 69734681 572140201 /nfs/dbraw/zinc/14/02/01/572140201.db2.gz VTDNLXBALUJTIG-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+]CCCCC[NH2+]Cc1cccs1 69734553 572140214 /nfs/dbraw/zinc/14/02/14/572140214.db2.gz AIIFSAGELITYAJ-UHFFFAOYSA-N 2 0 198.335 1.967 10 0 ADAERP [NH3+]CCCCC[NH2+]Cc1cscn1 69734708 572140276 /nfs/dbraw/zinc/14/02/76/572140276.db2.gz IGWHPMRYJONMGV-UHFFFAOYSA-N 2 0 199.323 1.362 10 0 ADAERP CCC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC 300368517 572140385 /nfs/dbraw/zinc/14/03/85/572140385.db2.gz RHQOJKLXWAKNLV-SECBINFHSA-N 2 0 185.315 1.694 10 0 ADAERP C[NH2+]CCN(C)[C@@H]1CCCSC1 69800991 572140672 /nfs/dbraw/zinc/14/06/72/572140672.db2.gz KTVANLQGZQOKKE-SECBINFHSA-N 2 0 188.340 1.033 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]C(C)(C)C 69840705 572149515 /nfs/dbraw/zinc/14/95/15/572149515.db2.gz RGDNRNHTGBZYJT-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]1CSCC[N@@H+]1CCCC[NH3+] 69760710 572141139 /nfs/dbraw/zinc/14/11/39/572141139.db2.gz FHFGICKIMGTUBL-SECBINFHSA-N 2 0 188.340 1.163 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CC[C@H](C)C[NH3+] 300375332 572141390 /nfs/dbraw/zinc/14/13/90/572141390.db2.gz CSPDRYVPSYWNKL-IVZWLZJFSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@H]([NH3+])C(C)C 300374642 572141395 /nfs/dbraw/zinc/14/13/95/572141395.db2.gz BZIHBLQWUZKENM-VWYCJHECSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H]([NH3+])C(C)C 300374638 572141403 /nfs/dbraw/zinc/14/14/03/572141403.db2.gz BZIHBLQWUZKENM-MXWKQRLJSA-N 2 0 184.327 1.748 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 300374002 572141426 /nfs/dbraw/zinc/14/14/26/572141426.db2.gz BERIJFLGTNXCSH-HBNTYKKESA-N 2 0 182.311 1.374 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CC[C@H]([NH3+])C(C)C 300374640 572141439 /nfs/dbraw/zinc/14/14/39/572141439.db2.gz BZIHBLQWUZKENM-OUAUKWLOSA-N 2 0 184.327 1.748 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CCCC[NH3+] 300375780 572141564 /nfs/dbraw/zinc/14/15/64/572141564.db2.gz DHEKCZBNRHPSPZ-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H]1CC 300373079 572141828 /nfs/dbraw/zinc/14/18/28/572141828.db2.gz AAAQINXQSZVESJ-HBNTYKKESA-N 2 0 184.327 1.620 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 300374584 572141692 /nfs/dbraw/zinc/14/16/92/572141692.db2.gz BWSOPMRFONMSOY-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]CC[C@H](C)[NH3+] 300373175 572141708 /nfs/dbraw/zinc/14/17/08/572141708.db2.gz AIGZAOZQIWHBFR-IVZWLZJFSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@@H]([NH3+])CC 300375049 572141844 /nfs/dbraw/zinc/14/18/44/572141844.db2.gz CNJFADBQJWUULJ-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP C[NH2+]CCN(C)[C@H](C)CCC(C)C 69801257 572141858 /nfs/dbraw/zinc/14/18/58/572141858.db2.gz YLNZGCVVMFORKX-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C[NH3+])C(C)C 300375795 572141873 /nfs/dbraw/zinc/14/18/73/572141873.db2.gz DIGFFXSAFPVSJC-UTUOFQBUSA-N 2 0 198.354 1.996 10 0 ADAERP CCC[C@](C)([NH3+])C[NH2+][C@H]1C[C@H]1CC 300373850 572141945 /nfs/dbraw/zinc/14/19/45/572141945.db2.gz AVNQVSCMNSLGJK-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP C[NH2+]CCN(C)[C@@H](C)CCC(C)C 69801259 572142010 /nfs/dbraw/zinc/14/20/10/572142010.db2.gz YLNZGCVVMFORKX-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCCC(C)(C)[NH3+] 300375424 572142046 /nfs/dbraw/zinc/14/20/46/572142046.db2.gz CWVFKRGJXOHBJR-ZJUUUORDSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)C[NH2+]C 300373862 572142072 /nfs/dbraw/zinc/14/20/72/572142072.db2.gz AWGSFHZZPBZMNX-AXFHLTTASA-N 2 0 184.327 1.620 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 300374588 572142100 /nfs/dbraw/zinc/14/21/00/572142100.db2.gz BWSOPMRFONMSOY-WOPDTQHZSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+]C[C@@H](C)C[NH2+]CC1(C2CC2)CC1 300373597 572142133 /nfs/dbraw/zinc/14/21/33/572142133.db2.gz NTHJBFZIUSQMDC-SNVBAGLBSA-N 2 0 196.338 1.622 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H]([NH3+])CC 300375048 572142181 /nfs/dbraw/zinc/14/21/81/572142181.db2.gz CNJFADBQJWUULJ-MXWKQRLJSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C[NH2+]C 300373865 572142216 /nfs/dbraw/zinc/14/22/16/572142216.db2.gz AWGSFHZZPBZMNX-MXWKQRLJSA-N 2 0 184.327 1.620 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 300373549 572142260 /nfs/dbraw/zinc/14/22/60/572142260.db2.gz ASGPLUSAISGNAW-TUAOUCFPSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]CC[C@H]([NH3+])CC 300375046 572142274 /nfs/dbraw/zinc/14/22/74/572142274.db2.gz CNJFADBQJWUULJ-GMTAPVOTSA-N 2 0 184.327 1.892 10 0 ADAERP C[NH2+]CCN(C)[C@H]1CCCSC1 69800993 572142304 /nfs/dbraw/zinc/14/23/04/572142304.db2.gz KTVANLQGZQOKKE-VIFPVBQESA-N 2 0 188.340 1.033 10 0 ADAERP CCOc1cccc(C(C[NH3+])C[NH3+])c1 71506798 572142347 /nfs/dbraw/zinc/14/23/47/572142347.db2.gz PYQVJZKYPJDWTH-UHFFFAOYSA-N 2 0 194.278 1.086 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C[NH2+]C 300376237 572142352 /nfs/dbraw/zinc/14/23/52/572142352.db2.gz DOEZZTJGESPQIT-OPRDCNLKSA-N 2 0 170.300 1.230 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@@H](C)[NH3+] 300375735 572142415 /nfs/dbraw/zinc/14/24/15/572142415.db2.gz DBAHIGLBCPWAAT-DBIOUOCHSA-N 2 0 184.327 1.748 10 0 ADAERP CCOc1ccccc1C(C[NH3+])C[NH3+] 71506797 572142445 /nfs/dbraw/zinc/14/24/45/572142445.db2.gz CSZFYCIBMYLLNN-UHFFFAOYSA-N 2 0 194.278 1.086 10 0 ADAERP CC[C@H](C[NH3+])CC[NH2+][C@@H]1C[C@H]1CC 300375728 572142567 /nfs/dbraw/zinc/14/25/67/572142567.db2.gz CZXGQXSSVAMWMS-HBNTYKKESA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]1CSCC[N@@H+]1CCCC[NH3+] 69760711 572142576 /nfs/dbraw/zinc/14/25/76/572142576.db2.gz FHFGICKIMGTUBL-VIFPVBQESA-N 2 0 188.340 1.163 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CC[NH2+]C1 300374586 572142632 /nfs/dbraw/zinc/14/26/32/572142632.db2.gz BWSOPMRFONMSOY-IJLUTSLNSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](C)C[NH3+] 300375331 572142665 /nfs/dbraw/zinc/14/26/65/572142665.db2.gz CSPDRYVPSYWNKL-BBBLOLIVSA-N 2 0 170.300 1.359 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 300373124 572142772 /nfs/dbraw/zinc/14/27/72/572142772.db2.gz AFSZKRRXYRABQI-IJLUTSLNSA-N 2 0 196.338 1.907 10 0 ADAERP CN(C)CC[NH2+]CCCC(C)(C)C 300954777 572142791 /nfs/dbraw/zinc/14/27/91/572142791.db2.gz XTYBQVGBVIYXRF-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP C[NH2+]CCN(C)C1CCSCC1 69801138 572142822 /nfs/dbraw/zinc/14/28/22/572142822.db2.gz DAAYNZZMZWTRKS-UHFFFAOYSA-N 2 0 188.340 1.033 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@H](C)[NH3+] 300375736 572142971 /nfs/dbraw/zinc/14/29/71/572142971.db2.gz DBAHIGLBCPWAAT-MMWGEVLESA-N 2 0 184.327 1.748 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 300374003 572143037 /nfs/dbraw/zinc/14/30/37/572143037.db2.gz BERIJFLGTNXCSH-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C[NH2+]C 300373864 572143127 /nfs/dbraw/zinc/14/31/27/572143127.db2.gz AWGSFHZZPBZMNX-GMTAPVOTSA-N 2 0 184.327 1.620 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 300373551 572143375 /nfs/dbraw/zinc/14/33/75/572143375.db2.gz ASGPLUSAISGNAW-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H]1CC 300373078 572143178 /nfs/dbraw/zinc/14/31/78/572143178.db2.gz AAAQINXQSZVESJ-AXFHLTTASA-N 2 0 184.327 1.620 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 300373883 572143268 /nfs/dbraw/zinc/14/32/68/572143268.db2.gz AXQNEQRQGFZMQH-GMTAPVOTSA-N 2 0 182.311 1.517 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@H](C)C[NH3+] 300375330 572143284 /nfs/dbraw/zinc/14/32/84/572143284.db2.gz CSPDRYVPSYWNKL-AEJSXWLSSA-N 2 0 170.300 1.359 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC[NH+](C)C 300376261 572143288 /nfs/dbraw/zinc/14/32/88/572143288.db2.gz DPWXAWRXUNJKFU-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC1([NH3+])CCC1 300375040 572143298 /nfs/dbraw/zinc/14/32/98/572143298.db2.gz CNFJTJKARVFBJL-BDAKNGLRSA-N 2 0 168.284 1.256 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 300373547 572143355 /nfs/dbraw/zinc/14/33/55/572143355.db2.gz ASGPLUSAISGNAW-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]1 300373887 572143383 /nfs/dbraw/zinc/14/33/83/572143383.db2.gz AXQNEQRQGFZMQH-VWYCJHECSA-N 2 0 182.311 1.517 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C[NH3+])C(C)C 300375793 572143654 /nfs/dbraw/zinc/14/36/54/572143654.db2.gz DIGFFXSAFPVSJC-GRYCIOLGSA-N 2 0 198.354 1.996 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 300373125 572143673 /nfs/dbraw/zinc/14/36/73/572143673.db2.gz AFSZKRRXYRABQI-UTUOFQBUSA-N 2 0 196.338 1.907 10 0 ADAERP CCOc1ccc(C(C[NH3+])C[NH3+])cc1 71506799 572143747 /nfs/dbraw/zinc/14/37/47/572143747.db2.gz ZIBZIITWBIDWFU-UHFFFAOYSA-N 2 0 194.278 1.086 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 300374179 572143694 /nfs/dbraw/zinc/14/36/94/572143694.db2.gz BKTJMRRFSIAVDQ-KXNHARMFSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[NH3+] 300380312 572145286 /nfs/dbraw/zinc/14/52/86/572145286.db2.gz IKQCXLMUPCINNU-YIZRAAEISA-N 2 0 156.273 1.112 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)C 300382007 572144273 /nfs/dbraw/zinc/14/42/73/572144273.db2.gz KCRAQAXLRXSVHE-MXWKQRLJSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(CC)C[NH3+] 300381179 572144317 /nfs/dbraw/zinc/14/43/17/572144317.db2.gz JAWRAMYSCAFGJO-OUAUKWLOSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C[NH3+])CC(C)C 300379840 572144331 /nfs/dbraw/zinc/14/43/31/572144331.db2.gz HPVWFAONWGIONE-UTUOFQBUSA-N 2 0 198.354 1.996 10 0 ADAERP CCC[N@H+](CC)CCCC[NH2+]C 37477938 572144333 /nfs/dbraw/zinc/14/43/33/572144333.db2.gz KOTGNOPDBVTBQF-UHFFFAOYSA-N 2 0 172.316 1.718 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[C@@H]1[NH3+] 300380699 572144336 /nfs/dbraw/zinc/14/43/36/572144336.db2.gz ISAFCKUQTRRZEA-NOOOWODRSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CCC[C@H](C)[NH3+] 300380234 572144345 /nfs/dbraw/zinc/14/43/45/572144345.db2.gz IAOPTVAQUJTZKZ-IVZWLZJFSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 300380276 572144396 /nfs/dbraw/zinc/14/43/96/572144396.db2.gz IGSJOGVUIQBUGH-KKOKHZNYSA-N 2 0 196.338 1.892 10 0 ADAERP CC[N@H+](CCCC[NH2+]C)C(C)C 37477934 572144409 /nfs/dbraw/zinc/14/44/09/572144409.db2.gz ZKYVALUQVRDQHR-UHFFFAOYSA-N 2 0 172.316 1.716 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC([NH3+])(CC)CC 300376321 572144439 /nfs/dbraw/zinc/14/44/39/572144439.db2.gz DRQLSKQBTPJGPL-ZJUUUORDSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@]1(CC)CCC[NH2+]1 300380262 572144463 /nfs/dbraw/zinc/14/44/63/572144463.db2.gz IELIATJOGKEWAF-UTUOFQBUSA-N 2 0 196.338 1.907 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[NH3+] 300380311 572144511 /nfs/dbraw/zinc/14/45/11/572144511.db2.gz IKQCXLMUPCINNU-HLTSFMKQSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 300380277 572144522 /nfs/dbraw/zinc/14/45/22/572144522.db2.gz IGSJOGVUIQBUGH-QCNOEVLYSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[C@@H]1[NH3+] 300380700 572144574 /nfs/dbraw/zinc/14/45/74/572144574.db2.gz ISAFCKUQTRRZEA-RHYQMDGZSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[C@H]1[NH3+] 300380701 572144640 /nfs/dbraw/zinc/14/46/40/572144640.db2.gz ISAFCKUQTRRZEA-WRWGMCAJSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C1CC([NH3+])C1 300376284 572146376 /nfs/dbraw/zinc/14/63/76/572146376.db2.gz DQJBEHXCODOZDU-WOOKNIGNSA-N 2 0 168.284 1.254 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@](C)(CC)C[NH3+] 300381178 572144671 /nfs/dbraw/zinc/14/46/71/572144671.db2.gz JAWRAMYSCAFGJO-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 300379877 572144722 /nfs/dbraw/zinc/14/47/22/572144722.db2.gz HURIZEKHZRLQOV-QCNOEVLYSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)([NH3+])C1CC1 300382479 572144774 /nfs/dbraw/zinc/14/47/74/572144774.db2.gz KLURDKKASKVDFJ-USWWRNFRSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 300379835 572144807 /nfs/dbraw/zinc/14/48/07/572144807.db2.gz HPSFTQPJOHOKGN-WYUUTHIRSA-N 2 0 196.338 1.620 10 0 ADAERP C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 37477903 572144839 /nfs/dbraw/zinc/14/48/39/572144839.db2.gz RDSDXAYMJILANL-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C 37477870 572144859 /nfs/dbraw/zinc/14/48/59/572144859.db2.gz WSKXCCJRTTXMNE-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CCC[N@H+](CCCC[NH2+]C)C1CC1 37477940 572144865 /nfs/dbraw/zinc/14/48/65/572144865.db2.gz UUFQFRLCESSJIK-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CCC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](C[NH2+]C)C1 300381613 572144920 /nfs/dbraw/zinc/14/49/20/572144920.db2.gz JQPWZXRXESSNPS-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]1CC 300381967 572145010 /nfs/dbraw/zinc/14/50/10/572145010.db2.gz JYFGFVKRVSPKET-BBBLOLIVSA-N 2 0 170.300 1.359 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)([NH3+])C1CC1 300382476 572145016 /nfs/dbraw/zinc/14/50/16/572145016.db2.gz KLURDKKASKVDFJ-ADEWGFFLSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 300379834 572145041 /nfs/dbraw/zinc/14/50/41/572145041.db2.gz HPSFTQPJOHOKGN-USZNOCQGSA-N 2 0 196.338 1.620 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])C(C)C 300382009 572145053 /nfs/dbraw/zinc/14/50/53/572145053.db2.gz KCRAQAXLRXSVHE-VWYCJHECSA-N 2 0 184.327 1.748 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]1 300385513 572145077 /nfs/dbraw/zinc/14/50/77/572145077.db2.gz NROZNYLJODUQTC-GRYCIOLGSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]1C[NH2+]C[C@H]1CC1(C)C 300381581 572145096 /nfs/dbraw/zinc/14/50/96/572145096.db2.gz JMGWCPDLUVGZTE-MXWKQRLJSA-N 2 0 196.338 1.620 10 0 ADAERP C[NH2+]CCCC[NH+]1CCCCCC1 37477880 572145172 /nfs/dbraw/zinc/14/51/72/572145172.db2.gz BGJPCYJCOSUSSQ-UHFFFAOYSA-N 2 0 184.327 1.862 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C[NH3+])C(C)C 300381194 572145190 /nfs/dbraw/zinc/14/51/90/572145190.db2.gz JCDILPUEAPGSTM-MXWKQRLJSA-N 2 0 184.327 1.605 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H](C[NH3+])CC(C)C 300379838 572145213 /nfs/dbraw/zinc/14/52/13/572145213.db2.gz HPVWFAONWGIONE-QJPTWQEYSA-N 2 0 198.354 1.996 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[NH2+]C(C)C 300376810 572145226 /nfs/dbraw/zinc/14/52/26/572145226.db2.gz FEKGPCZFBNCEOV-MNOVXSKESA-N 2 0 184.327 1.763 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[NH+](C)C 300381087 572145253 /nfs/dbraw/zinc/14/52/53/572145253.db2.gz IVJSWDVCCGYIKU-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C[C@@H]1C=C[C@H]([NH3+])C1 300379845 572145267 /nfs/dbraw/zinc/14/52/67/572145267.db2.gz HRIZTJBNCIOMOX-MXWKQRLJSA-N 2 0 194.322 1.526 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)[NH3+] 300380310 572145302 /nfs/dbraw/zinc/14/53/02/572145302.db2.gz IKQCXLMUPCINNU-DJLDLDEBSA-N 2 0 156.273 1.112 10 0 ADAERP C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 37477905 572145329 /nfs/dbraw/zinc/14/53/29/572145329.db2.gz RDSDXAYMJILANL-VXGBXAGGSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 300380278 572145343 /nfs/dbraw/zinc/14/53/43/572145343.db2.gz IGSJOGVUIQBUGH-USZNOCQGSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC1([NH3+])CCCC1 300381608 572145372 /nfs/dbraw/zinc/14/53/72/572145372.db2.gz JPSWHHYGDKWXPZ-ZJUUUORDSA-N 2 0 182.311 1.646 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[C@H](C)[NH3+] 300380232 572145380 /nfs/dbraw/zinc/14/53/80/572145380.db2.gz IAOPTVAQUJTZKZ-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 300381986 572145437 /nfs/dbraw/zinc/14/54/37/572145437.db2.gz JYVIDZQRFLVSDZ-QCNOEVLYSA-N 2 0 196.338 1.905 10 0 ADAERP C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 37477879 572145532 /nfs/dbraw/zinc/14/55/32/572145532.db2.gz CXUVREKOVZOFPT-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])C(C)C 300382008 572145703 /nfs/dbraw/zinc/14/57/03/572145703.db2.gz KCRAQAXLRXSVHE-OUAUKWLOSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(CC)C[NH3+] 300381180 572145738 /nfs/dbraw/zinc/14/57/38/572145738.db2.gz JAWRAMYSCAFGJO-VWYCJHECSA-N 2 0 184.327 1.750 10 0 ADAERP C[NH2+]CCCC[N@H+](C)CC(C)C 37477942 572145772 /nfs/dbraw/zinc/14/57/72/572145772.db2.gz VGFJZHOEXVTYIJ-UHFFFAOYSA-N 2 0 172.316 1.574 10 0 ADAERP C[NH2+]CCCC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 37477902 572145778 /nfs/dbraw/zinc/14/57/78/572145778.db2.gz RDSDXAYMJILANL-TXEJJXNPSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 300376342 572145827 /nfs/dbraw/zinc/14/58/27/572145827.db2.gz DULMGMSIMCHFJW-IJLUTSLNSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C 37477871 572145902 /nfs/dbraw/zinc/14/59/02/572145902.db2.gz WSKXCCJRTTXMNE-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C[C@H]1C=C[C@H]([NH3+])C1 300379844 572145991 /nfs/dbraw/zinc/14/59/91/572145991.db2.gz HRIZTJBNCIOMOX-AXFHLTTASA-N 2 0 194.322 1.526 10 0 ADAERP C[NH2+]CCCC[NH+]1CCCC1 37477868 572146007 /nfs/dbraw/zinc/14/60/07/572146007.db2.gz MFOCREKBYFNQTJ-UHFFFAOYSA-N 2 0 156.273 1.082 10 0 ADAERP C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 37477877 572146020 /nfs/dbraw/zinc/14/60/20/572146020.db2.gz CXUVREKOVZOFPT-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 300381987 572146049 /nfs/dbraw/zinc/14/60/49/572146049.db2.gz JYVIDZQRFLVSDZ-WYUUTHIRSA-N 2 0 196.338 1.905 10 0 ADAERP CC[N@H+](CCCC[NH2+]C)C1CC1 37477932 572146057 /nfs/dbraw/zinc/14/60/57/572146057.db2.gz IBZAFPSFFPLFPE-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[C@H]([NH3+])C1 300379878 572146074 /nfs/dbraw/zinc/14/60/74/572146074.db2.gz HURIZEKHZRLQOV-USZNOCQGSA-N 2 0 196.338 1.892 10 0 ADAERP C[NH2+]CCCC[NH+]1CCC(C)CC1 37477867 572146091 /nfs/dbraw/zinc/14/60/91/572146091.db2.gz QOFSYYIKUJULOB-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[C@@H]([NH3+])C1 300379876 572146143 /nfs/dbraw/zinc/14/61/43/572146143.db2.gz HURIZEKHZRLQOV-KKOKHZNYSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]1CC 300381968 572146147 /nfs/dbraw/zinc/14/61/47/572146147.db2.gz JYFGFVKRVSPKET-OPRDCNLKSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(CC)CCC[NH2+]1 300380261 572146192 /nfs/dbraw/zinc/14/61/92/572146192.db2.gz IELIATJOGKEWAF-GRYCIOLGSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H](C)[N@H+](C)CCCC[NH2+]C 37477943 572146227 /nfs/dbraw/zinc/14/62/27/572146227.db2.gz GKSYEMGJCXRDGG-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 300385514 572146268 /nfs/dbraw/zinc/14/62/68/572146268.db2.gz NROZNYLJODUQTC-UTUOFQBUSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[C@H]1[NH3+] 300380698 572146344 /nfs/dbraw/zinc/14/63/44/572146344.db2.gz ISAFCKUQTRRZEA-KXNHARMFSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1C 300379832 572146348 /nfs/dbraw/zinc/14/63/48/572146348.db2.gz HPSFTQPJOHOKGN-KKOKHZNYSA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 300381985 572146354 /nfs/dbraw/zinc/14/63/54/572146354.db2.gz JYVIDZQRFLVSDZ-KKOKHZNYSA-N 2 0 196.338 1.905 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 300385515 572146364 /nfs/dbraw/zinc/14/63/64/572146364.db2.gz NROZNYLJODUQTC-WOPDTQHZSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 300376340 572146371 /nfs/dbraw/zinc/14/63/71/572146371.db2.gz DULMGMSIMCHFJW-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+]CCCC[N@H+](C)C1CC1 37477933 572146381 /nfs/dbraw/zinc/14/63/81/572146381.db2.gz BSFZGNZUPNQCOU-UHFFFAOYSA-N 2 0 156.273 1.080 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(CC)CCC[NH2+]1 300380263 572146391 /nfs/dbraw/zinc/14/63/91/572146391.db2.gz IELIATJOGKEWAF-WOPDTQHZSA-N 2 0 196.338 1.907 10 0 ADAERP CCCC[N@H+](C)CCCC[NH2+]C 37477890 572146395 /nfs/dbraw/zinc/14/63/95/572146395.db2.gz OIKGKXZXQHJEAI-UHFFFAOYSA-N 2 0 172.316 1.718 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C[NH3+])C(C)C 300381196 572146410 /nfs/dbraw/zinc/14/64/10/572146410.db2.gz JCDILPUEAPGSTM-VWYCJHECSA-N 2 0 184.327 1.605 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)[NH3+] 300380632 572146431 /nfs/dbraw/zinc/14/64/31/572146431.db2.gz IMVKWERWMURFKV-BDAKNGLRSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[C@@H]1C[C@H]1[N@@H+]1CC[C@H](C[NH2+]C)C1 300381612 572146435 /nfs/dbraw/zinc/14/64/35/572146435.db2.gz JQPWZXRXESSNPS-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+]CCCC[N@H+](C)C(C)C 37477898 572146452 /nfs/dbraw/zinc/14/64/52/572146452.db2.gz YHQFVIBIYUGGDS-UHFFFAOYSA-N 2 0 158.289 1.326 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 300380279 572146494 /nfs/dbraw/zinc/14/64/94/572146494.db2.gz IGSJOGVUIQBUGH-WYUUTHIRSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 300379833 572146525 /nfs/dbraw/zinc/14/65/25/572146525.db2.gz HPSFTQPJOHOKGN-QCNOEVLYSA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[C@@H](C)[NH3+] 300380233 572146530 /nfs/dbraw/zinc/14/65/30/572146530.db2.gz IAOPTVAQUJTZKZ-BBBLOLIVSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[N@H+](C)CCCC[NH2+]C 37477941 572146539 /nfs/dbraw/zinc/14/65/39/572146539.db2.gz OEDAWDXZMOROKH-UHFFFAOYSA-N 2 0 158.289 1.328 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 300384510 572147914 /nfs/dbraw/zinc/14/79/14/572147914.db2.gz MMAOTNZNMSERFK-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 300376344 572146719 /nfs/dbraw/zinc/14/67/19/572146719.db2.gz DULMGMSIMCHFJW-WOPDTQHZSA-N 2 0 196.338 1.764 10 0 ADAERP CC[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@H]1CC 300385115 572148526 /nfs/dbraw/zinc/14/85/26/572148526.db2.gz NDZDNGVKIOQREE-GMTAPVOTSA-N 2 0 184.327 1.763 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 300379879 572146803 /nfs/dbraw/zinc/14/68/03/572146803.db2.gz HURIZEKHZRLQOV-WYUUTHIRSA-N 2 0 196.338 1.892 10 0 ADAERP C[C@@H](CC(F)(F)F)[NH2+]C1CC([NH3+])C1 235153990 572146855 /nfs/dbraw/zinc/14/68/55/572146855.db2.gz QESYTWQOZAGPFA-VTSJMVTISA-N 2 0 196.216 1.407 10 0 ADAERP C[NH2+]CCCC[N@H+](C)C1CCCC1 37477937 572146873 /nfs/dbraw/zinc/14/68/73/572146873.db2.gz YEJVPDYHUXWZAA-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CC[C@H](C)[N@H+](C)CCCC[NH2+]C 37477944 572146878 /nfs/dbraw/zinc/14/68/78/572146878.db2.gz GKSYEMGJCXRDGG-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H](C[NH3+])C(C)C 300381195 572146903 /nfs/dbraw/zinc/14/69/03/572146903.db2.gz JCDILPUEAPGSTM-OUAUKWLOSA-N 2 0 184.327 1.605 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1C[NH2+]C[C@H]1CC1(C)C 300381580 572146949 /nfs/dbraw/zinc/14/69/49/572146949.db2.gz JMGWCPDLUVGZTE-GMTAPVOTSA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 300382835 572147158 /nfs/dbraw/zinc/14/71/58/572147158.db2.gz KNKYRIJWZJZELN-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C1C[NH2+]C1 300385079 572147248 /nfs/dbraw/zinc/14/72/48/572147248.db2.gz NAHJBOIISBYDQH-NGZCFLSTSA-N 2 0 182.311 1.230 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)C1C[NH2+]C1 300385078 572147373 /nfs/dbraw/zinc/14/73/73/572147373.db2.gz NAHJBOIISBYDQH-KKZNHRDASA-N 2 0 182.311 1.230 10 0 ADAERP C[NH2+]CCCC[N@H+](C)[C@H](C)C(C)C 37477970 572147390 /nfs/dbraw/zinc/14/73/90/572147390.db2.gz BJXFRGBBHPYAMM-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 300383639 572149209 /nfs/dbraw/zinc/14/92/09/572149209.db2.gz LMISGWAJGOJMIK-ZNSHCXBVSA-N 2 0 182.311 1.373 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])C[NH2+]C[C@H]1CC1(C)C 300385493 572147519 /nfs/dbraw/zinc/14/75/19/572147519.db2.gz NPPUUSIUSZLVQW-AXFHLTTASA-N 2 0 198.354 1.996 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@H](C)[NH3+] 300384499 572147558 /nfs/dbraw/zinc/14/75/58/572147558.db2.gz MKYGDYCSGDGTAO-RGOKHQFPSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]CC(C)(C)C 69840764 572149214 /nfs/dbraw/zinc/14/92/14/572149214.db2.gz PJUYHERQLCRAFV-VIFPVBQESA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCCCCC[NH3+] 300385122 572147599 /nfs/dbraw/zinc/14/75/99/572147599.db2.gz NFXGABSWEYMZPK-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP C[NH2+]CCCC[N@H+](C)[C@@H](C)C(C)C 37477971 572147660 /nfs/dbraw/zinc/14/76/60/572147660.db2.gz BJXFRGBBHPYAMM-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]Cc1nccs1 69840850 572149242 /nfs/dbraw/zinc/14/92/42/572149242.db2.gz XIFLNEIVYCAWPE-QMMMGPOBSA-N 2 0 199.323 1.360 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C=C[C@H]([NH3+])C1 300385103 572149218 /nfs/dbraw/zinc/14/92/18/572149218.db2.gz NCJCTUACBUVDNV-USZNOCQGSA-N 2 0 194.322 1.668 10 0 ADAERP CC[C@@H](C)C[N@H+](C)CCCC[NH2+]C 37477949 572147776 /nfs/dbraw/zinc/14/77/76/572147776.db2.gz NTYGXRSHJQGHJF-LLVKDONJSA-N 2 0 186.343 1.964 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@H](C)C[NH3+] 300382879 572147788 /nfs/dbraw/zinc/14/77/88/572147788.db2.gz KSQDJYLIGFWXBY-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C=C[C@H]([NH3+])C1 300385104 572147790 /nfs/dbraw/zinc/14/77/90/572147790.db2.gz NCJCTUACBUVDNV-WYUUTHIRSA-N 2 0 194.322 1.668 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@H](C)[NH3+] 300384498 572147835 /nfs/dbraw/zinc/14/78/35/572147835.db2.gz MKYGDYCSGDGTAO-QEYWKRMJSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+][C@H]1CC1(C)C 69840954 572147921 /nfs/dbraw/zinc/14/79/21/572147921.db2.gz BJAWSCUCBFNLSR-IUCAKERBSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)Cc1cccs1 37476764 572147945 /nfs/dbraw/zinc/14/79/45/572147945.db2.gz LDUWNDJTWRWBLJ-VIFPVBQESA-N 2 0 198.335 1.917 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CC1CC1 69840744 572149228 /nfs/dbraw/zinc/14/92/28/572149228.db2.gz XXPIHYIQQFRWGP-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]C1CCC1 69840980 572147985 /nfs/dbraw/zinc/14/79/85/572147985.db2.gz OIFXUJMPNYXLIB-MRVPVSSYSA-N 2 0 156.273 1.256 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]Cc1cscn1 69841037 572148003 /nfs/dbraw/zinc/14/80/03/572148003.db2.gz NNDPZJISLNLNDJ-QMMMGPOBSA-N 2 0 199.323 1.360 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCCC[C@H](C)[NH3+] 300385526 572148014 /nfs/dbraw/zinc/14/80/14/572148014.db2.gz NTCLVBZPSKSYHY-AXFHLTTASA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@@H](C)[NH3+] 300384496 572148019 /nfs/dbraw/zinc/14/80/19/572148019.db2.gz MKYGDYCSGDGTAO-JLIMGVALSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@H](C)[NH2+]CCC[C@H](C)[NH3+] 69840721 572148056 /nfs/dbraw/zinc/14/80/56/572148056.db2.gz LBYMBXVDDIRJFE-IUCAKERBSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](C)Cc1ccoc1 69840797 572148088 /nfs/dbraw/zinc/14/80/88/572148088.db2.gz QBLYNVSYFLKGOV-JTQLQIEISA-N 2 0 196.294 1.839 10 0 ADAERP C[C@@H]([NH3+])CCC[N@H+](C)Cc1ccco1 69840665 572148150 /nfs/dbraw/zinc/14/81/50/572148150.db2.gz MFDAMZPBRDEPPU-SNVBAGLBSA-N 2 0 196.294 1.839 10 0 ADAERP C[C@H]([NH3+])CCC[N@H+](C)Cc1ccco1 69840664 572148230 /nfs/dbraw/zinc/14/82/30/572148230.db2.gz MFDAMZPBRDEPPU-JTQLQIEISA-N 2 0 196.294 1.839 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 300385102 572148236 /nfs/dbraw/zinc/14/82/36/572148236.db2.gz NCJCTUACBUVDNV-QCNOEVLYSA-N 2 0 194.322 1.668 10 0 ADAERP CC[C@H](C)[C@@H]([NH2+]C)c1cnccc1N 69845739 572149251 /nfs/dbraw/zinc/14/92/51/572149251.db2.gz OUXCUJJODBWVGE-GZMMTYOYSA-N 2 0 193.294 1.970 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC1(C[NH3+])CCCC1 300383282 572148285 /nfs/dbraw/zinc/14/82/85/572148285.db2.gz LDPAOSBKFGSDIL-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)Cc1cccs1 37476765 572148298 /nfs/dbraw/zinc/14/82/98/572148298.db2.gz LDUWNDJTWRWBLJ-SECBINFHSA-N 2 0 198.335 1.917 10 0 ADAERP Cc1ccc(C[NH2+]CCC[C@@H](C)[NH3+])o1 69840989 572148300 /nfs/dbraw/zinc/14/83/00/572148300.db2.gz IVJGJXBXPQQCSY-SECBINFHSA-N 2 0 196.294 1.805 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]CCc1ccco1 69840833 572148310 /nfs/dbraw/zinc/14/83/10/572148310.db2.gz HNCXFLWNIQJAQA-JTQLQIEISA-N 2 0 196.294 1.539 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 300385101 572148311 /nfs/dbraw/zinc/14/83/11/572148311.db2.gz NCJCTUACBUVDNV-KKOKHZNYSA-N 2 0 194.322 1.668 10 0 ADAERP C[C@H]([NH3+])CCC[NH+]1CCSCC1 69840640 572148367 /nfs/dbraw/zinc/14/83/67/572148367.db2.gz XSCJQBSOBDSPQM-VIFPVBQESA-N 2 0 188.340 1.163 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[NH2+][C@@H]1C 300383635 572148393 /nfs/dbraw/zinc/14/83/93/572148393.db2.gz LMISGWAJGOJMIK-DBIOUOCHSA-N 2 0 182.311 1.373 10 0 ADAERP CC[C@@H](C)C[NH2+]CCC[C@@H](C)[NH3+] 69840997 572148493 /nfs/dbraw/zinc/14/84/93/572148493.db2.gz VCGZHABDOAQXFC-NXEZZACHSA-N 2 0 172.316 1.750 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CC1(C2CC2)CC1 235154396 572148596 /nfs/dbraw/zinc/14/85/96/572148596.db2.gz GAVVJRCRVCIRCE-SECBINFHSA-N 2 0 182.311 1.504 10 0 ADAERP CCCOC[C@@H]([NH3+])c1cnccc1N 69845520 572148597 /nfs/dbraw/zinc/14/85/97/572148597.db2.gz SDPNUVNWQYBXDW-SNVBAGLBSA-N 2 0 195.266 1.090 10 0 ADAERP C[NH2+]CCCC[N@H+](C)[C@@H](C)C1CC1 37477968 572148604 /nfs/dbraw/zinc/14/86/04/572148604.db2.gz CJHMODLDBUJYIZ-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]CCC[C@@H](C)[NH3+] 69840987 572148615 /nfs/dbraw/zinc/14/86/15/572148615.db2.gz ZAPXWZPVXNGWAP-DJLDLDEBSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]CCCC[C@H](C)[NH3+] 300385527 572148659 /nfs/dbraw/zinc/14/86/59/572148659.db2.gz NTCLVBZPSKSYHY-HBNTYKKESA-N 2 0 184.327 1.892 10 0 ADAERP CC[NH2+][C@H](c1cnccc1N)C1CC1 69845327 572148693 /nfs/dbraw/zinc/14/86/93/572148693.db2.gz UUHYMNDWXCEWBW-NSHDSACASA-N 2 0 191.278 1.724 10 0 ADAERP CCCC[NH2+]CCC[C@H](C)[NH3+] 69840751 572148709 /nfs/dbraw/zinc/14/87/09/572148709.db2.gz MMJWRMQCCQZAAN-VIFPVBQESA-N 2 0 158.289 1.504 10 0 ADAERP C[NH2+][C@H](CSC)c1cnccc1N 69845652 572148717 /nfs/dbraw/zinc/14/87/17/572148717.db2.gz SOZHJAVHPAOYHD-SECBINFHSA-N 2 0 197.307 1.287 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C1C[NH2+]C1 300385077 572148725 /nfs/dbraw/zinc/14/87/25/572148725.db2.gz NAHJBOIISBYDQH-IQJOONFLSA-N 2 0 182.311 1.230 10 0 ADAERP CC[NH2+][C@@H](CC)c1cnccc1N 69845244 572148763 /nfs/dbraw/zinc/14/87/63/572148763.db2.gz UJYPSOZFHIEQPH-JTQLQIEISA-N 2 0 179.267 1.724 10 0 ADAERP C[NH2+]CCCC[N@H+](C)[C@H](C)C1CC1 37477969 572148766 /nfs/dbraw/zinc/14/87/66/572148766.db2.gz CJHMODLDBUJYIZ-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CCC(F)(F)F 69841015 572148780 /nfs/dbraw/zinc/14/87/80/572148780.db2.gz NUGLPOXUGDNEBD-SSDOTTSWSA-N 2 0 198.232 1.656 10 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69840956 572149068 /nfs/dbraw/zinc/14/90/68/572149068.db2.gz BJAWSCUCBFNLSR-BDAKNGLRSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@H](C)C[NH2+]CCC[C@H](C)[NH3+] 69841003 572149086 /nfs/dbraw/zinc/14/90/86/572149086.db2.gz VCGZHABDOAQXFC-UWVGGRQHSA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@H](C)C[N@H+](C)CCCC[NH2+]C 37477950 572149096 /nfs/dbraw/zinc/14/90/96/572149096.db2.gz NTYGXRSHJQGHJF-NSHDSACASA-N 2 0 186.343 1.964 10 0 ADAERP CCC[C@@H]([NH2+]C)c1cnccc1N 69845296 572149107 /nfs/dbraw/zinc/14/91/07/572149107.db2.gz ALWIMXCYGUNMBI-SNVBAGLBSA-N 2 0 179.267 1.724 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CCC[NH2+]CC 300383773 572149158 /nfs/dbraw/zinc/14/91/58/572149158.db2.gz LVGMAGDAJLERMT-MNOVXSKESA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])C[NH2+]C[C@H]1CC1(C)C 300385494 572149165 /nfs/dbraw/zinc/14/91/65/572149165.db2.gz NPPUUSIUSZLVQW-HBNTYKKESA-N 2 0 198.354 1.996 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]Cc1ccsc1 69841028 572149177 /nfs/dbraw/zinc/14/91/77/572149177.db2.gz SZUQIAZLZOLCJP-SECBINFHSA-N 2 0 198.335 1.965 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC[C@@H](C)C[NH3+] 300382881 572149325 /nfs/dbraw/zinc/14/93/25/572149325.db2.gz KSQDJYLIGFWXBY-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCSC1 37476753 572149344 /nfs/dbraw/zinc/14/93/44/572149344.db2.gz FMWRVFXMYMMSQT-DTWKUNHWSA-N 2 0 188.340 1.161 10 0 ADAERP C[C@@H]([NH3+])CCC[NH+]1CCSCC1 69840641 572149345 /nfs/dbraw/zinc/14/93/45/572149345.db2.gz XSCJQBSOBDSPQM-SECBINFHSA-N 2 0 188.340 1.163 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 300383230 572149366 /nfs/dbraw/zinc/14/93/66/572149366.db2.gz KZEWGLKXJKIDEJ-KXNHARMFSA-N 2 0 196.338 1.750 10 0 ADAERP CC[C@@H](C)C[NH2+]CCC[C@H](C)[NH3+] 69841001 572149379 /nfs/dbraw/zinc/14/93/79/572149379.db2.gz VCGZHABDOAQXFC-ZJUUUORDSA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@@H](C)[NH3+] 300384497 572149385 /nfs/dbraw/zinc/14/93/85/572149385.db2.gz MKYGDYCSGDGTAO-KYXWUPHJSA-N 2 0 170.300 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ADAERP CCC[C@@H]1C[C@H]1[N@@H+]1CC[C@H](C[NH3+])C1 300387292 572150535 /nfs/dbraw/zinc/15/05/35/572150535.db2.gz PIUZQWIVRASIEM-GMTAPVOTSA-N 2 0 182.311 1.456 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC(C)=C1C[NH2+]C1 300387636 572150668 /nfs/dbraw/zinc/15/06/68/572150668.db2.gz POGBLFFFVUWJJE-KOLCDFICSA-N 2 0 180.295 1.294 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[C@@H]1CC[NH2+]C1 300386725 572150842 /nfs/dbraw/zinc/15/08/42/572150842.db2.gz ORPXJIMDAUMMHI-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)C[N@H+](C)CCC[NH2+]C1CC1 37478566 572150982 /nfs/dbraw/zinc/15/09/82/572150982.db2.gz HXUCIEWKWRMDLM-UHFFFAOYSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[C@H]1CC[NH2+]C1 300386724 572151062 /nfs/dbraw/zinc/15/10/62/572151062.db2.gz ORPXJIMDAUMMHI-TUAOUCFPSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)CCC[NH2+]C1CC1 37478618 572151104 /nfs/dbraw/zinc/15/11/04/572151104.db2.gz YMRRQQDCDRCICC-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP 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PQSRJVZUOGDMCE-ZJUUUORDSA-N 2 0 182.311 1.646 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[NH2+][C@H]1C 300387285 572153255 /nfs/dbraw/zinc/15/32/55/572153255.db2.gz PHJQWHURGICWKJ-QCNOEVLYSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 300389249 572154159 /nfs/dbraw/zinc/15/41/59/572154159.db2.gz RUFLAYKEYXGMJM-DBIOUOCHSA-N 2 0 180.295 1.278 10 0 ADAERP CC[C@H]1C[C@@](C[NH3+])([NH2+]C2CC2)CCO1 69892514 572153397 /nfs/dbraw/zinc/15/33/97/572153397.db2.gz HWKVPFAXDAEESH-QWRGUYRKSA-N 2 0 198.310 1.025 10 0 ADAERP CCC[C@](C)([NH3+])C[N@H+](CC)C1CC1 37480921 572153559 /nfs/dbraw/zinc/15/35/59/572153559.db2.gz ZGKIVDZBHPSKGP-NSHDSACASA-N 2 0 184.327 1.988 10 0 ADAERP C[C@@H](CC(F)(F)F)[NH2+]CC[C@@H](C)[NH3+] 235155438 572153637 /nfs/dbraw/zinc/15/36/37/572153637.db2.gz QFJRZJGAWZUOJZ-RQJHMYQMSA-N 2 0 198.232 1.654 10 0 ADAERP CCCC[C@H]([NH3+])C[NH+](CC)CC 37480783 572153643 /nfs/dbraw/zinc/15/36/43/572153643.db2.gz BPZCAJPXNAAAEU-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP CCC[C@](C)([NH3+])C[NH+](CC)CC 37480785 572153679 /nfs/dbraw/zinc/15/36/79/572153679.db2.gz STJFLXYMXLMCHZ-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP CCC[N@H+](C)C[C@](C)([NH3+])CCC 37480954 572153727 /nfs/dbraw/zinc/15/37/27/572153727.db2.gz JQGJOPHEERQVMA-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP COC[C@@H](C)[N@H+](CCC[NH3+])C(C)C 69901810 572153845 /nfs/dbraw/zinc/15/38/45/572153845.db2.gz PEDCBOMJWAJRNC-SNVBAGLBSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@@H](C[NH2+]CC1(C2CC2)CC1)[C@@H](C)[NH3+] 235155582 572153931 /nfs/dbraw/zinc/15/39/31/572153931.db2.gz RCLFLTZRQDJMPY-VHSXEESVSA-N 2 0 196.338 1.750 10 0 ADAERP CCC[N@H+](C)C[C@@](C)([NH3+])CCC 37480953 572153952 /nfs/dbraw/zinc/15/39/52/572153952.db2.gz JQGJOPHEERQVMA-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH+](CC)CC 37480786 572153999 /nfs/dbraw/zinc/15/39/99/572153999.db2.gz STJFLXYMXLMCHZ-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CCC[N@H+](C[C@](C)([NH3+])C1CC1)C1CC1 37479214 572154070 /nfs/dbraw/zinc/15/40/70/572154070.db2.gz JRLDMLIXKKWBSW-LBPRGKRZSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CC[C@H](C[NH2+]C)C1 300387988 572154290 /nfs/dbraw/zinc/15/42/90/572154290.db2.gz QHKDPKKFYWENIT-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H](C[NH2+]CC1(C)CCC1)[C@@H](C)[NH3+] 235155432 572154296 /nfs/dbraw/zinc/15/42/96/572154296.db2.gz WSASILVBFQPZML-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H](C[NH2+]C[C@@H]1CC1(C)C)C1C[NH2+]C1 235155375 572154317 /nfs/dbraw/zinc/15/43/17/572154317.db2.gz YEVYGKOQCSOROI-ONGXEEELSA-N 2 0 196.338 1.478 10 0 ADAERP C[C@H]1CC[C@@H](C)[C@H]([NH2+]CCC[NH3+])C1 82858751 572154606 /nfs/dbraw/zinc/15/46/06/572154606.db2.gz LNFYZTYDIPXACW-HBNTYKKESA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1C[C@@](C[NH3+])([NH2+]C2CC2)CCO1 69892512 572154607 /nfs/dbraw/zinc/15/46/07/572154607.db2.gz HWKVPFAXDAEESH-MNOVXSKESA-N 2 0 198.310 1.025 10 0 ADAERP C[C@H]1CCC[C@]([NH3+])(C[NH3+])[C@@H]1C 82859985 572154612 /nfs/dbraw/zinc/15/46/12/572154612.db2.gz KXMFRBRTGLTBEP-YIZRAAEISA-N 2 0 156.273 1.099 10 0 ADAERP CCC[N@H+](CCC[NH3+])[C@H](C)COC 69901796 572154620 /nfs/dbraw/zinc/15/46/20/572154620.db2.gz QYOWEXHERRGANT-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP CCCC[C@@H]([NH3+])C[NH+](CC)CC 37480784 572154635 /nfs/dbraw/zinc/15/46/35/572154635.db2.gz BPZCAJPXNAAAEU-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CCC[N@H+](C)CC1CCC([NH3+])CC1 37482439 572154648 /nfs/dbraw/zinc/15/46/48/572154648.db2.gz CQSSZOMLCHHNTM-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](C[C@](C)([NH3+])C1CC1)C1CC1 37479200 572154667 /nfs/dbraw/zinc/15/46/67/572154667.db2.gz AGKIQBQJQQQQLG-NSHDSACASA-N 2 0 182.311 1.598 10 0 ADAERP CC[NH+](CC)C[C@@](C)([NH3+])C1CC1 37479131 572154772 /nfs/dbraw/zinc/15/47/72/572154772.db2.gz BYTOUBRLHWKQQL-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@@](C)([NH3+])C[N@H+](C)C(C)C 37480846 572154935 /nfs/dbraw/zinc/15/49/35/572154935.db2.gz RPCQXEIEJZEJDO-SNVBAGLBSA-N 2 0 172.316 1.844 10 0 ADAERP C[C@H]1CCC[C@@]([NH3+])(C[NH3+])[C@@H]1C 82859987 572154936 /nfs/dbraw/zinc/15/49/36/572154936.db2.gz KXMFRBRTGLTBEP-DJLDLDEBSA-N 2 0 156.273 1.099 10 0 ADAERP CCC[N@H+](C)C[C@](C)([NH3+])C1CC1 37479216 572154972 /nfs/dbraw/zinc/15/49/72/572154972.db2.gz VXPDDDSPHQLQFB-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@H]1C[C@](C[NH3+])([NH2+]C2CC2)CCO1 69892520 572155129 /nfs/dbraw/zinc/15/51/29/572155129.db2.gz HWKVPFAXDAEESH-WDEREUQCSA-N 2 0 198.310 1.025 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(CC)CC[NH2+]C1 300389222 572155138 /nfs/dbraw/zinc/15/51/38/572155138.db2.gz RRTVNMHVODTTQX-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[N@H+](C)C[C@@](C)([NH3+])C1CC1 37479165 572155421 /nfs/dbraw/zinc/15/54/21/572155421.db2.gz ZCJJHFGHRGGKCY-SNVBAGLBSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@@H]1C[C@](C[NH3+])([NH2+]C2CC2)CCO1 69892517 572155195 /nfs/dbraw/zinc/15/51/95/572155195.db2.gz HWKVPFAXDAEESH-GHMZBOCLSA-N 2 0 198.310 1.025 10 0 ADAERP C[C@H]1CC[C@H](C)[C@H]([NH2+]CCC[NH3+])C1 82858749 572155251 /nfs/dbraw/zinc/15/52/51/572155251.db2.gz LNFYZTYDIPXACW-GARJFASQSA-N 2 0 184.327 1.750 10 0 ADAERP CCCC[C@@H]([NH3+])C[N@H+](C)C(C)C 37480844 572155536 /nfs/dbraw/zinc/15/55/36/572155536.db2.gz IFUNIYCYAKZXNL-SNVBAGLBSA-N 2 0 172.316 1.844 10 0 ADAERP CC[N@H+](C)CCCC[NH2+]C(C)C 37482928 572155306 /nfs/dbraw/zinc/15/53/06/572155306.db2.gz FGOIXPMZYYMXLQ-UHFFFAOYSA-N 2 0 172.316 1.716 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C[C@H]1CCC[C@H]1[NH3+] 300389514 572155468 /nfs/dbraw/zinc/15/54/68/572155468.db2.gz SASRDSQVNDYXFW-GMTAPVOTSA-N 2 0 196.338 1.750 10 0 ADAERP CC[N@H+](C[C@@](C)([NH3+])C1CC1)C1CC1 37479201 572155554 /nfs/dbraw/zinc/15/55/54/572155554.db2.gz AGKIQBQJQQQQLG-LLVKDONJSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@]1(CC)CC[NH2+]C1 300389223 572155583 /nfs/dbraw/zinc/15/55/83/572155583.db2.gz RRTVNMHVODTTQX-IJLUTSLNSA-N 2 0 196.338 1.764 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](CC)C[NH3+] 300389502 572155596 /nfs/dbraw/zinc/15/55/96/572155596.db2.gz RZJVLMYWKIXARV-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP CCC[N@H+](CCC[NH3+])[C@@H](C)COC 69901795 572155672 /nfs/dbraw/zinc/15/56/72/572155672.db2.gz QYOWEXHERRGANT-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP CCCC[N@H+](C)C[C@@](C)([NH3+])C1CC1 37479159 572155839 /nfs/dbraw/zinc/15/58/39/572155839.db2.gz DKXFRVLSRLAGHH-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C=C[C@H]([NH3+])C1 300389252 572155919 /nfs/dbraw/zinc/15/59/19/572155919.db2.gz RUFLAYKEYXGMJM-ZNSHCXBVSA-N 2 0 180.295 1.278 10 0 ADAERP CCCC[C@@H]([NH3+])C[N@H+](C)CCC 37480952 572155924 /nfs/dbraw/zinc/15/59/24/572155924.db2.gz PPHGHVNTONFRTE-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)[NH2+]C 300389585 572155963 /nfs/dbraw/zinc/15/59/63/572155963.db2.gz SFDNXMJWSQMWLG-ZJUUUORDSA-N 2 0 184.327 1.763 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 300388941 572155992 /nfs/dbraw/zinc/15/59/92/572155992.db2.gz RJMDLROLAWLMBJ-QJPTWQEYSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1CC1(C)C 300389211 572156657 /nfs/dbraw/zinc/15/66/57/572156657.db2.gz RRBBFOCZYVHKDL-HBNTYKKESA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[N@H+](C)C[C@](C)([NH3+])C1CC1 37479157 572156306 /nfs/dbraw/zinc/15/63/06/572156306.db2.gz DKXFRVLSRLAGHH-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](CC)C[NH3+] 300389503 572156410 /nfs/dbraw/zinc/15/64/10/572156410.db2.gz RZJVLMYWKIXARV-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] 300389218 572156437 /nfs/dbraw/zinc/15/64/37/572156437.db2.gz RRLOWTLDXSIUCC-YTWAJWBKSA-N 2 0 182.311 1.502 10 0 ADAERP CCC[C@](C)([NH3+])C[N@H+](C)C(C)C 37480845 572156446 /nfs/dbraw/zinc/15/64/46/572156446.db2.gz RPCQXEIEJZEJDO-JTQLQIEISA-N 2 0 172.316 1.844 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 300389251 572156490 /nfs/dbraw/zinc/15/64/90/572156490.db2.gz RUFLAYKEYXGMJM-ZDCRXTMVSA-N 2 0 180.295 1.278 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 300388943 572156599 /nfs/dbraw/zinc/15/65/99/572156599.db2.gz RJMDLROLAWLMBJ-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP CC[NH+](CC)C[C@](C)([NH3+])C1CC1 37479129 572156878 /nfs/dbraw/zinc/15/68/78/572156878.db2.gz BYTOUBRLHWKQQL-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] 300389219 572156948 /nfs/dbraw/zinc/15/69/48/572156948.db2.gz RRLOWTLDXSIUCC-ZNSHCXBVSA-N 2 0 182.311 1.502 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CCC[NH3+] 300389272 572157087 /nfs/dbraw/zinc/15/70/87/572157087.db2.gz RVUVVFIVXZBEMB-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@@](C)([NH3+])C[N@H+](CC)C1CC1 37480922 572157107 /nfs/dbraw/zinc/15/71/07/572157107.db2.gz ZGKIVDZBHPSKGP-LLVKDONJSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1CCC 300387974 572157178 /nfs/dbraw/zinc/15/71/78/572157178.db2.gz QGBRAPVJIWOBOM-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] 300389217 572157192 /nfs/dbraw/zinc/15/71/92/572157192.db2.gz RRLOWTLDXSIUCC-RCWTZXSCSA-N 2 0 182.311 1.502 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](CC)C[NH3+] 300389504 572157213 /nfs/dbraw/zinc/15/72/13/572157213.db2.gz RZJVLMYWKIXARV-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@@](C)([NH3+])C[N@H+](C)CC 37480918 572157278 /nfs/dbraw/zinc/15/72/78/572157278.db2.gz ZSGRWGGANMLLHT-SECBINFHSA-N 2 0 158.289 1.456 10 0 ADAERP CCCC[C@H]([NH3+])C[N@H+](C)C(C)C 37480843 572157324 /nfs/dbraw/zinc/15/73/24/572157324.db2.gz IFUNIYCYAKZXNL-JTQLQIEISA-N 2 0 172.316 1.844 10 0 ADAERP CCCCC[NH2+]C[C@@H]1CC[N@H+](C)C1 37484758 572157631 /nfs/dbraw/zinc/15/76/31/572157631.db2.gz ULDFNDAWEBQVQL-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C)C1 37484779 572157736 /nfs/dbraw/zinc/15/77/36/572157736.db2.gz WKXFQLZANXHIEP-WDEREUQCSA-N 2 0 184.327 1.574 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)C 300390578 572157750 /nfs/dbraw/zinc/15/77/50/572157750.db2.gz UPVSMVUMPTWXAK-BBBLOLIVSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484761 572157797 /nfs/dbraw/zinc/15/77/97/572157797.db2.gz KHERWNADTWOMFG-TUAOUCFPSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 300390584 572158050 /nfs/dbraw/zinc/15/80/50/572158050.db2.gz UPVWGNJCVFOADN-ZNSHCXBVSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484686 572157960 /nfs/dbraw/zinc/15/79/60/572157960.db2.gz ZMOYXOOSSLGVAU-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1CC1(C)C 300390262 572157973 /nfs/dbraw/zinc/15/79/73/572157973.db2.gz TYSHYOFYOIFDNM-GMTAPVOTSA-N 2 0 196.338 1.478 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37484776 572157991 /nfs/dbraw/zinc/15/79/91/572157991.db2.gz WKXFQLZANXHIEP-MNOVXSKESA-N 2 0 184.327 1.574 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37484777 572158129 /nfs/dbraw/zinc/15/81/29/572158129.db2.gz WKXFQLZANXHIEP-QWRGUYRKSA-N 2 0 184.327 1.574 10 0 ADAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C(C)C 37484848 572158199 /nfs/dbraw/zinc/15/81/99/572158199.db2.gz KGHLIWYHXYSGGI-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])CC(C)C 300390225 572158216 /nfs/dbraw/zinc/15/82/16/572158216.db2.gz SZASVWJVNNASQL-VWYCJHECSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C(C)C 37484851 572158328 /nfs/dbraw/zinc/15/83/28/572158328.db2.gz KGHLIWYHXYSGGI-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 37484685 572158399 /nfs/dbraw/zinc/15/83/99/572158399.db2.gz AUPZRFDKKOFRET-WDEREUQCSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C[NH3+])o1 300390924 572158495 /nfs/dbraw/zinc/15/84/95/572158495.db2.gz UVHLKXUNYFONIU-KCJUWKMLSA-N 2 0 194.278 1.626 10 0 ADAERP CCCC[NH2+]C[C@H]1CC[N@H+](C)C1 37484725 572158626 /nfs/dbraw/zinc/15/86/26/572158626.db2.gz DNRZWTRCAWZHNO-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]CC1(C[NH3+])CCC1 300388639 572158753 /nfs/dbraw/zinc/15/87/53/572158753.db2.gz RANBUMIEHVJOKH-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP CCC(CC)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37484658 572158814 /nfs/dbraw/zinc/15/88/14/572158814.db2.gz OFTOHTSTRTXUAQ-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 37484689 572160436 /nfs/dbraw/zinc/16/04/36/572160436.db2.gz ZMOYXOOSSLGVAU-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])CC(C)C 300390223 572158932 /nfs/dbraw/zinc/15/89/32/572158932.db2.gz SZASVWJVNNASQL-GMTAPVOTSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C(C)C 37484850 572158945 /nfs/dbraw/zinc/15/89/45/572158945.db2.gz KGHLIWYHXYSGGI-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)C1C[NH2+]C1 300390517 572158966 /nfs/dbraw/zinc/15/89/66/572158966.db2.gz UJAXVBJAQNSLMI-FOGDFJRCSA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 37484688 572159024 /nfs/dbraw/zinc/15/90/24/572159024.db2.gz ZMOYXOOSSLGVAU-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 37485322 572159110 /nfs/dbraw/zinc/15/91/10/572159110.db2.gz VTKPIRPDGZHXQJ-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])C(C)C 300390580 572159134 /nfs/dbraw/zinc/15/91/34/572159134.db2.gz UPVSMVUMPTWXAK-UTLUCORTSA-N 2 0 170.300 1.358 10 0 ADAERP CCC[C@@H]([NH3+])Cc1c[nH+]ccc1N 69941458 572159260 /nfs/dbraw/zinc/15/92/60/572159260.db2.gz VMYLXSLNRNHVRY-SECBINFHSA-N 2 0 179.267 1.334 10 0 ADAERP CC[N@H+](C)Cc1cc(F)ccc1C[NH3+] 82864964 572159297 /nfs/dbraw/zinc/15/92/97/572159297.db2.gz UYAMHERXRGLYHD-UHFFFAOYSA-N 2 0 196.269 1.736 10 0 ADAERP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484683 572159326 /nfs/dbraw/zinc/15/93/26/572159326.db2.gz AUPZRFDKKOFRET-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](C)C1 37484778 572159356 /nfs/dbraw/zinc/15/93/56/572159356.db2.gz WKXFQLZANXHIEP-GHMZBOCLSA-N 2 0 184.327 1.574 10 0 ADAERP CC(C)CC[NH2+]C[C@H]1CC[N@H+](C)C1 37484665 572159389 /nfs/dbraw/zinc/15/93/89/572159389.db2.gz ZUYZLQHXVCFGOG-LLVKDONJSA-N 2 0 184.327 1.574 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484687 572159397 /nfs/dbraw/zinc/15/93/97/572159397.db2.gz ZMOYXOOSSLGVAU-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 37484684 572159454 /nfs/dbraw/zinc/15/94/54/572159454.db2.gz AUPZRFDKKOFRET-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP CCC(CC)[NH2+]C[C@H]1CC[N@H+](C)C1 37484703 572159470 /nfs/dbraw/zinc/15/94/70/572159470.db2.gz ZSSKECVDAUTLTK-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37484750 572159528 /nfs/dbraw/zinc/15/95/28/572159528.db2.gz FCMYZAMACUVBML-NEPJUHHUSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CC1(C2CC2)CC1 235156416 572159583 /nfs/dbraw/zinc/15/95/83/572159583.db2.gz GCFZCKCYQUKRDR-SNVBAGLBSA-N 2 0 196.338 1.894 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])Cc1c[nH+]ccc1N 69941571 572159600 /nfs/dbraw/zinc/15/96/00/572159600.db2.gz IIUDWSWFLCYROR-GZMMTYOYSA-N 2 0 193.294 1.580 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1[NH3+] 300390583 572159609 /nfs/dbraw/zinc/15/96/09/572159609.db2.gz UPVWGNJCVFOADN-YTWAJWBKSA-N 2 0 182.311 1.502 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+]CCC(C)C)C1 37484208 572159625 /nfs/dbraw/zinc/15/96/25/572159625.db2.gz SRUFXORJRQWHRO-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C(C)C 37484849 572159706 /nfs/dbraw/zinc/15/97/06/572159706.db2.gz KGHLIWYHXYSGGI-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C)C1 37484753 572159857 /nfs/dbraw/zinc/15/98/57/572159857.db2.gz FCMYZAMACUVBML-NWDGAFQWSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)[NH2+]C 300390522 572159870 /nfs/dbraw/zinc/15/98/70/572159870.db2.gz UJIOVOFBIQNNJB-BDAKNGLRSA-N 2 0 170.300 1.373 10 0 ADAERP CC(C)C[C@@H]([NH3+])Cc1c[nH+]ccc1N 69941448 572159978 /nfs/dbraw/zinc/15/99/78/572159978.db2.gz PWNVXCJWFIUOJH-SNVBAGLBSA-N 2 0 193.294 1.580 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 37485321 572160063 /nfs/dbraw/zinc/16/00/63/572160063.db2.gz VTKPIRPDGZHXQJ-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484682 572160232 /nfs/dbraw/zinc/16/02/32/572160232.db2.gz AUPZRFDKKOFRET-MNOVXSKESA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H](C)[C@@H]([NH3+])Cc1c[nH+]ccc1N 69941572 572160274 /nfs/dbraw/zinc/16/02/74/572160274.db2.gz IIUDWSWFLCYROR-KCJUWKMLSA-N 2 0 193.294 1.580 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37484751 572160324 /nfs/dbraw/zinc/16/03/24/572160324.db2.gz FCMYZAMACUVBML-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP CCC(CC)C[NH2+]C[C@H]1CC[N@H+](C)C1 37484659 572160383 /nfs/dbraw/zinc/16/03/83/572160383.db2.gz OFTOHTSTRTXUAQ-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C1CC1 37484706 572160600 /nfs/dbraw/zinc/16/06/00/572160600.db2.gz MFZXGBRUQZQVMM-VHSXEESVSA-N 2 0 182.311 1.326 10 0 ADAERP CCC(CC)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484702 572160621 /nfs/dbraw/zinc/16/06/21/572160621.db2.gz ZSSKECVDAUTLTK-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CC1(C)CC1 235156221 572160656 /nfs/dbraw/zinc/16/06/56/572160656.db2.gz AAUPLMXUQVTGSR-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC[NH2+]C1CC1 300388596 572160662 /nfs/dbraw/zinc/16/06/62/572160662.db2.gz QXLJSFUYIYAYEI-KOLCDFICSA-N 2 0 182.311 1.517 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])Cc1c[nH+]ccc1N 69941574 572160700 /nfs/dbraw/zinc/16/07/00/572160700.db2.gz IIUDWSWFLCYROR-KWQFWETISA-N 2 0 193.294 1.580 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC1(C[NH3+])CCC1 300391535 572160726 /nfs/dbraw/zinc/16/07/26/572160726.db2.gz VQIQDLJMIZWHQA-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])C(C)C 300390579 572160820 /nfs/dbraw/zinc/16/08/20/572160820.db2.gz UPVSMVUMPTWXAK-KXUCPTDWSA-N 2 0 170.300 1.358 10 0 ADAERP CC(C)CC[NH2+]C[C@@H]1CC[N@H+](C)C1 37484664 572160879 /nfs/dbraw/zinc/16/08/79/572160879.db2.gz ZUYZLQHXVCFGOG-NSHDSACASA-N 2 0 184.327 1.574 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1CC 300389963 572160866 /nfs/dbraw/zinc/16/08/66/572160866.db2.gz SPCRYZXZVXOHSI-UTLUCORTSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 37484763 572160952 /nfs/dbraw/zinc/16/09/52/572160952.db2.gz KHERWNADTWOMFG-SRVKXCTJSA-N 2 0 198.354 1.962 10 0 ADAERP CCCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1CC 300390974 572160974 /nfs/dbraw/zinc/16/09/74/572160974.db2.gz VAMYNHTZLSJUPU-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H]1CC 300389962 572161027 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198.354 1.962 10 0 ADAERP Cc1c[nH+]ccc1N(C)[C@@H](C)CC[NH3+] 70045760 572171358 /nfs/dbraw/zinc/17/13/58/572171358.db2.gz HXUZUZOMIKAGBL-JTQLQIEISA-N 2 0 193.294 1.564 10 0 ADAERP C[C@@H]([NH3+])[C@H](C)C[NH2+]CC1(C)CC1 235160979 572171380 /nfs/dbraw/zinc/17/13/80/572171380.db2.gz VTBHMDNLUQCOFU-RKDXNWHRSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCC[C@H]1C 70045743 572173213 /nfs/dbraw/zinc/17/32/13/572173213.db2.gz SYUREGQFKVHFSF-HBNTYKKESA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C[C@@H]1C 70045749 572171548 /nfs/dbraw/zinc/17/15/48/572171548.db2.gz PKYMCJWSKGUZHM-SDDRHHMPSA-N 2 0 196.338 1.859 10 0 ADAERP Cc1c[nH+]ccc1NCC[NH2+]C(C)C 70047600 572171571 /nfs/dbraw/zinc/17/15/71/572171571.db2.gz HNBGESKPVVFPBF-UHFFFAOYSA-N 2 0 193.294 1.800 10 0 ADAERP C[C@@H]([NH3+])[C@H](C)C[NH2+]CC1(C)CCC1 235161011 572171574 /nfs/dbraw/zinc/17/15/74/572171574.db2.gz WSASILVBFQPZML-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922484 572173224 /nfs/dbraw/zinc/17/32/24/572173224.db2.gz HYLZHBXTAGZUBG-VWYCJHECSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)CC[N@H+](C)[C@H]1CC[NH2+]C[C@H]1C 70045792 572171620 /nfs/dbraw/zinc/17/16/20/572171620.db2.gz IIIYIZQVSWZUJX-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP Cc1c[nH+]ccc1N(CC[NH3+])C(C)C 70047878 572171854 /nfs/dbraw/zinc/17/18/54/572171854.db2.gz WLXRQKPKXKDQAM-UHFFFAOYSA-N 2 0 193.294 1.564 10 0 ADAERP CS[C@@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 235163078 572172093 /nfs/dbraw/zinc/17/20/93/572172093.db2.gz ZCMDCPOEFAFLIE-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]1CC[N@@H+]([C@@H]2CC[NH2+]C[C@@H]2C)C1 70045758 572171997 /nfs/dbraw/zinc/17/19/97/572171997.db2.gz CINOQYYQPCWTKY-GARJFASQSA-N 2 0 182.311 1.326 10 0 ADAERP Cc1c[nH+]ccc1N(C)[C@H](C)CC[NH3+] 70045761 572172105 /nfs/dbraw/zinc/17/21/05/572172105.db2.gz HXUZUZOMIKAGBL-SNVBAGLBSA-N 2 0 193.294 1.564 10 0 ADAERP CC(C)[NH2+]C[C@@H]1C[C@H]1C1C[NH+](C)C1 393346758 572172179 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CC[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922248 572174039 /nfs/dbraw/zinc/17/40/39/572174039.db2.gz IYVCAKDICKYWNI-UTLUCORTSA-N 2 0 170.300 1.502 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922417 572174060 /nfs/dbraw/zinc/17/40/60/572174060.db2.gz CEBYUUSYXQXVFK-GARJFASQSA-N 2 0 196.338 1.892 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1C[NH2+]Cc1ccco1 82922243 572174076 /nfs/dbraw/zinc/17/40/76/572174076.db2.gz RNWNKKMGZWPBLK-MWLCHTKSSA-N 2 0 194.278 1.497 10 0 ADAERP CCC[NH2+]C[C@H]1CCCC[C@H]1[NH3+] 82922215 572174091 /nfs/dbraw/zinc/17/40/91/572174091.db2.gz UMYRCIBMBKRDNH-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922423 572174111 /nfs/dbraw/zinc/17/41/11/572174111.db2.gz BHOZLIVMTBDRSM-KXUCPTDWSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1[NH3+] 82922262 572174140 /nfs/dbraw/zinc/17/41/40/572174140.db2.gz MZSUSSBUXUCUAZ-WDEREUQCSA-N 2 0 184.327 1.750 10 0 ADAERP CCCC[NH2+]C[C@@H]1CCCC[C@H]1[NH3+] 82922310 572174150 /nfs/dbraw/zinc/17/41/50/572174150.db2.gz HDVRJKMYKJUQJQ-WDEREUQCSA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922421 572174891 /nfs/dbraw/zinc/17/48/91/572174891.db2.gz BHOZLIVMTBDRSM-LPEHRKFASA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922265 572174212 /nfs/dbraw/zinc/17/42/12/572174212.db2.gz DAGAKZNZBJGRNA-ZJUUUORDSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922487 572174219 /nfs/dbraw/zinc/17/42/19/572174219.db2.gz HYLZHBXTAGZUBG-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1C[NH2+]Cc1ccco1 82922242 572174233 /nfs/dbraw/zinc/17/42/33/572174233.db2.gz RNWNKKMGZWPBLK-GXSJLCMTSA-N 2 0 194.278 1.497 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922459 572174251 /nfs/dbraw/zinc/17/42/51/572174251.db2.gz UNMBDYJZQLWIQY-XWLWVQCSSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1CCC[C@H]1[NH3+] 82922339 572174277 /nfs/dbraw/zinc/17/42/77/572174277.db2.gz QZUPFCGVGVEDQV-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]1[NH3+] 82922338 572174284 /nfs/dbraw/zinc/17/42/84/572174284.db2.gz QZUPFCGVGVEDQV-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]([C@@H](C)N)[NH+](CC1CC1)CC1CC1 70064200 572174897 /nfs/dbraw/zinc/17/48/97/572174897.db2.gz SYQYAQHENGKJTQ-ZJUUUORDSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@H](C(N)=[NH2+])N(CC1CC1)CC1CC1 70064315 572174340 /nfs/dbraw/zinc/17/43/40/572174340.db2.gz XMUJCPFXXNYDMQ-MRVPVSSYSA-N 2 0 195.310 1.433 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922463 572174342 /nfs/dbraw/zinc/17/43/42/572174342.db2.gz OFIRKVXKWCLJID-AATLWQCWSA-N 2 0 168.284 1.112 10 0 ADAERP NC(=[NH2+])CN(CC1CC1)CC1CC1 70064305 572174381 /nfs/dbraw/zinc/17/43/81/572174381.db2.gz WGXXHJPETAIZQN-UHFFFAOYSA-N 2 0 181.283 1.044 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1C[NH2+]Cc1ccco1 82922241 572174434 /nfs/dbraw/zinc/17/44/34/572174434.db2.gz RNWNKKMGZWPBLK-KOLCDFICSA-N 2 0 194.278 1.497 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1[NH3+] 82922419 572174443 /nfs/dbraw/zinc/17/44/43/572174443.db2.gz CEBYUUSYXQXVFK-OUAUKWLOSA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922264 572174462 /nfs/dbraw/zinc/17/44/62/572174462.db2.gz DAGAKZNZBJGRNA-UWVGGRQHSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922251 572174528 /nfs/dbraw/zinc/17/45/28/572174528.db2.gz IYVCAKDICKYWNI-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1[NH3+] 82922314 572174573 /nfs/dbraw/zinc/17/45/73/572174573.db2.gz SGINORKSQBDFRL-VHSXEESVSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922462 572174912 /nfs/dbraw/zinc/17/49/12/572174912.db2.gz OFIRKVXKWCLJID-XFWSIPNHSA-N 2 0 168.284 1.112 10 0 ADAERP CC[C@H](C)C[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 220185531 572174601 /nfs/dbraw/zinc/17/46/01/572174601.db2.gz GIBLKVHKRHQWDB-QJPTWQEYSA-N 2 0 196.338 1.868 10 0 ADAERP [NH3+][C@H]1CCCC[C@@H]1C[NH2+]CC1CC1 82922294 572174625 /nfs/dbraw/zinc/17/46/25/572174625.db2.gz GPHKSWIYKFOANX-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP CC[C@H](N)C[NH+](CC1CC1)CC1CC1 70064132 572174629 /nfs/dbraw/zinc/17/46/29/572174629.db2.gz CQTSNHAIKFYJQV-LBPRGKRZSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCC[C@H]1[NH3+] 82922267 572174701 /nfs/dbraw/zinc/17/47/01/572174701.db2.gz DAGAKZNZBJGRNA-NXEZZACHSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]CCCC[NH+](CC1CC1)CC1CC1 70064056 572174719 /nfs/dbraw/zinc/17/47/19/572174719.db2.gz WVUVYCJMZHTMRL-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922260 572174727 /nfs/dbraw/zinc/17/47/27/572174727.db2.gz MZSUSSBUXUCUAZ-QWRGUYRKSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H](N)[C@@H](C)[NH+](CC1CC1)CC1CC1 70064197 572174729 /nfs/dbraw/zinc/17/47/29/572174729.db2.gz SYQYAQHENGKJTQ-VHSXEESVSA-N 2 0 196.338 1.844 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922486 572174739 /nfs/dbraw/zinc/17/47/39/572174739.db2.gz HYLZHBXTAGZUBG-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1C[NH2+]CC1CC1 82922299 572174789 /nfs/dbraw/zinc/17/47/89/572174789.db2.gz OZRQVBATUSPTSH-UWVGGRQHSA-N 2 0 168.284 1.113 10 0 ADAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922313 572174865 /nfs/dbraw/zinc/17/48/65/572174865.db2.gz SGINORKSQBDFRL-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP [NH3+][C@H]1CCCC[C@H]1C[NH2+]CC1CC1 82922292 572174953 /nfs/dbraw/zinc/17/49/53/572174953.db2.gz GPHKSWIYKFOANX-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@H](N)[C@H](C)[NH+](CC1CC1)CC1CC1 70064199 572174958 /nfs/dbraw/zinc/17/49/58/572174958.db2.gz SYQYAQHENGKJTQ-UWVGGRQHSA-N 2 0 196.338 1.844 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1C[NH2+]CC1CC1 82922296 572174963 /nfs/dbraw/zinc/17/49/63/572174963.db2.gz OZRQVBATUSPTSH-NXEZZACHSA-N 2 0 168.284 1.113 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1[NH3+] 82922246 572174994 /nfs/dbraw/zinc/17/49/94/572174994.db2.gz DQYIIUAAHGTMCU-MXWKQRLJSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H](C(N)=[NH2+])N(CC1CC1)CC1CC1 70064314 572175095 /nfs/dbraw/zinc/17/50/95/572175095.db2.gz XMUJCPFXXNYDMQ-QMMMGPOBSA-N 2 0 195.310 1.433 10 0 ADAERP CC(C)(N)C[NH+](CC1CC1)CC1CC1 70064398 572175124 /nfs/dbraw/zinc/17/51/24/572175124.db2.gz CHAJKLHWSVGQTD-UHFFFAOYSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922336 572175222 /nfs/dbraw/zinc/17/52/22/572175222.db2.gz QZUPFCGVGVEDQV-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922249 572175262 /nfs/dbraw/zinc/17/52/62/572175262.db2.gz IYVCAKDICKYWNI-GUBZILKMSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1C[NH2+]Cc1ccco1 82922240 572175295 /nfs/dbraw/zinc/17/52/95/572175295.db2.gz RNWNKKMGZWPBLK-ONGXEEELSA-N 2 0 194.278 1.497 10 0 ADAERP CCCC[NH2+]C[C@H]1CCCC[C@H]1[NH3+] 82922311 572175368 /nfs/dbraw/zinc/17/53/68/572175368.db2.gz HDVRJKMYKJUQJQ-GHMZBOCLSA-N 2 0 184.327 1.894 10 0 ADAERP C1C[C@H](N(CC2CC2)CC2CC2)C[NH2+]1 70064256 572175678 /nfs/dbraw/zinc/17/56/78/572175678.db2.gz FQCNAYLKCSKJGN-LBPRGKRZSA-N 2 0 194.322 1.470 10 0 ADAERP CC[C@@H](N)C[NH+](CC1CC1)CC1CC1 70064133 572175909 /nfs/dbraw/zinc/17/59/09/572175909.db2.gz CQTSNHAIKFYJQV-GFCCVEGCSA-N 2 0 196.338 1.846 10 0 ADAERP C1C[C@@H](N(CC2CC2)CC2CC2)C[NH2+]1 70064255 572176176 /nfs/dbraw/zinc/17/61/76/572176176.db2.gz FQCNAYLKCSKJGN-GFCCVEGCSA-N 2 0 194.322 1.470 10 0 ADAERP CC(C)C[C@H](C)C[N@H+](C)CCC(N)=[NH2+] 300961275 572176806 /nfs/dbraw/zinc/17/68/06/572176806.db2.gz QYCDWOOBGGDLSM-JTQLQIEISA-N 2 0 199.342 1.926 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])C1(C)CC1 37713574 572177177 /nfs/dbraw/zinc/17/71/77/572177177.db2.gz MCGQHVUUNPIUGZ-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])c1cccnc1 37713199 572177233 /nfs/dbraw/zinc/17/72/33/572177233.db2.gz JTBZQYNIJDXMEN-VIFPVBQESA-N 2 0 179.267 1.081 10 0 ADAERP CCC[C@@H](C)C[NH2+]CCC[NH3+] 37713476 572177325 /nfs/dbraw/zinc/17/73/25/572177325.db2.gz RBDSMZHAFWBBDF-SECBINFHSA-N 2 0 158.289 1.361 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])c1ccncc1 37713197 572177400 /nfs/dbraw/zinc/17/74/00/572177400.db2.gz WYZRPHUTAWHOAY-VIFPVBQESA-N 2 0 179.267 1.081 10 0 ADAERP Cc1ccc(C[NH2+]CCC[NH3+])cc1C 37713804 572177418 /nfs/dbraw/zinc/17/74/18/572177418.db2.gz CFZRXJSJPIXUFG-UHFFFAOYSA-N 2 0 192.306 1.742 10 0 ADAERP C[C@@H]([NH2+]CCC[NH3+])C1(C)CC1 37713575 572177540 /nfs/dbraw/zinc/17/75/40/572177540.db2.gz MCGQHVUUNPIUGZ-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@H](C[NH2+]CCC[NH3+])c1ccccc1 37713446 572177550 /nfs/dbraw/zinc/17/75/50/572177550.db2.gz NAJBVLNECDZHKR-LLVKDONJSA-N 2 0 192.306 1.729 10 0 ADAERP CC(C)C[C@@H](C)C[N@H+](C)CCC(N)=[NH2+] 300961278 572177767 /nfs/dbraw/zinc/17/77/67/572177767.db2.gz QYCDWOOBGGDLSM-SNVBAGLBSA-N 2 0 199.342 1.926 10 0 ADAERP Cc1ncsc1[C@@H](C)NCC[NH3+] 37713033 572177855 /nfs/dbraw/zinc/17/78/55/572177855.db2.gz AAMHIOXWOCJPKS-ZCFIWIBFSA-N 2 0 185.296 1.061 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])c1ccccn1 37713195 572177891 /nfs/dbraw/zinc/17/78/91/572177891.db2.gz ZJTFKZQSOVMBBU-VIFPVBQESA-N 2 0 179.267 1.081 10 0 ADAERP CC[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@]1(C)CC 397318348 572177931 /nfs/dbraw/zinc/17/79/31/572177931.db2.gz ACDDVKIQZANEJG-HBNTYKKESA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1C[C@H]1c1ccc(CNCC[NH3+])o1 37712328 572178128 /nfs/dbraw/zinc/17/81/28/572178128.db2.gz CPRMYEYXNTXZDK-PSASIEDQSA-N 2 0 194.278 1.451 10 0 ADAERP CCCCC[C@@H](C)[NH2+]CCN 37712663 572178196 /nfs/dbraw/zinc/17/81/96/572178196.db2.gz GGCCBSIPPOWVBJ-SECBINFHSA-N 2 0 158.289 1.504 10 0 ADAERP COC(C)(C)C[C@H](C)[NH2+]CCC[NH3+] 37713548 572178325 /nfs/dbraw/zinc/17/83/25/572178325.db2.gz FCPJENJRJVKLHN-VIFPVBQESA-N 2 0 188.315 1.128 10 0 ADAERP Cc1ncsc1[C@@H](C)[NH2+]CCC[NH3+] 37713862 572178357 /nfs/dbraw/zinc/17/83/57/572178357.db2.gz XJIDGWXRAHYYPW-SSDOTTSWSA-N 2 0 199.323 1.451 10 0 ADAERP COC(C)(C)C[C@@H](C)[NH2+]CCC[NH3+] 37713549 572179918 /nfs/dbraw/zinc/17/99/18/572179918.db2.gz FCPJENJRJVKLHN-SECBINFHSA-N 2 0 188.315 1.128 10 0 ADAERP C[C@H]1SCC[C@H]1[NH2+]CCCC[NH3+] 235650430 572178630 /nfs/dbraw/zinc/17/86/30/572178630.db2.gz KDSWXANEBNQWJH-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]1C[C@@H]1c1ccc(CNCC[NH3+])o1 37712327 572178731 /nfs/dbraw/zinc/17/87/31/572178731.db2.gz CPRMYEYXNTXZDK-WPRPVWTQSA-N 2 0 194.278 1.451 10 0 ADAERP C[C@@H](C[NH2+]CCC[NH3+])c1ccccc1 37713445 572178745 /nfs/dbraw/zinc/17/87/45/572178745.db2.gz NAJBVLNECDZHKR-NSHDSACASA-N 2 0 192.306 1.729 10 0 ADAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(O)cc1 37713172 572178763 /nfs/dbraw/zinc/17/87/63/572178763.db2.gz XQXREQFQJJKOHZ-SECBINFHSA-N 2 0 194.278 1.392 10 0 ADAERP CCC[C@H](C)C[NH2+]CCC[NH3+] 37713477 572179044 /nfs/dbraw/zinc/17/90/44/572179044.db2.gz RBDSMZHAFWBBDF-VIFPVBQESA-N 2 0 158.289 1.361 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(O)cc1 37713171 572179303 /nfs/dbraw/zinc/17/93/03/572179303.db2.gz XQXREQFQJJKOHZ-VIFPVBQESA-N 2 0 194.278 1.392 10 0 ADAERP C[C@H]1C[C@H]1c1ccc(CNCC[NH3+])o1 37712329 572179359 /nfs/dbraw/zinc/17/93/59/572179359.db2.gz CPRMYEYXNTXZDK-WCBMZHEXSA-N 2 0 194.278 1.451 10 0 ADAERP CCCCC[C@@H](C)[NH2+]CCC[NH3+] 37713487 572179630 /nfs/dbraw/zinc/17/96/30/572179630.db2.gz JWHNVYYIMMJMQP-SNVBAGLBSA-N 2 0 172.316 1.894 10 0 ADAERP CCCCC[C@H](C)[NH2+]CCN 37712664 572179793 /nfs/dbraw/zinc/17/97/93/572179793.db2.gz GGCCBSIPPOWVBJ-VIFPVBQESA-N 2 0 158.289 1.504 10 0 ADAERP Cc1ncsc1[C@H](C)[NH2+]CCC[NH3+] 37713863 572180162 /nfs/dbraw/zinc/18/01/62/572180162.db2.gz XJIDGWXRAHYYPW-ZETCQYMHSA-N 2 0 199.323 1.451 10 0 ADAERP C[C@@H]1C[C@@H]1c1ccc(CNCC[NH3+])o1 37712326 572180174 /nfs/dbraw/zinc/18/01/74/572180174.db2.gz CPRMYEYXNTXZDK-SCZZXKLOSA-N 2 0 194.278 1.451 10 0 ADAERP Cc1nccn1[C@H]1CCC[C@H]1[NH3+] 19258989 572181303 /nfs/dbraw/zinc/18/13/03/572181303.db2.gz ZXWGAQHHRAVEPW-BDAKNGLRSA-N 2 0 165.240 1.244 10 0 ADAERP CC(C)[C@H](C)[NH2+]CCCC[NH3+] 37714860 572180873 /nfs/dbraw/zinc/18/08/73/572180873.db2.gz HXBAQKLGIFXJJI-VIFPVBQESA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)[C@@H](C)[NH2+]CCCC[NH3+] 37714859 572181503 /nfs/dbraw/zinc/18/15/03/572181503.db2.gz HXBAQKLGIFXJJI-SECBINFHSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H]([NH2+]CCCC[NH3+])C1CC1 37714825 572181821 /nfs/dbraw/zinc/18/18/21/572181821.db2.gz RNTTUYQXWKSNDN-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP CCC[C@@H]1C[N@H+](CCC)CCC[NH2+]1 82941580 572181937 /nfs/dbraw/zinc/18/19/37/572181937.db2.gz SOOVPJKJISGLCY-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP [NH3+]CCCC[NH2+]C[C@@H]1CC=CCC1 37715139 572181975 /nfs/dbraw/zinc/18/19/75/572181975.db2.gz PZCMSUNHJKNQOC-LLVKDONJSA-N 2 0 182.311 1.671 10 0 ADAERP C[C@H]([NH2+]CCCC[NH3+])C1(C)CC1 37715277 572182052 /nfs/dbraw/zinc/18/20/52/572182052.db2.gz SHHWGSMJMDKOGQ-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]([NH2+]CCCC[NH3+])c1ccncc1 37714802 572182061 /nfs/dbraw/zinc/18/20/61/572182061.db2.gz FJKUAWXELYXZBN-SNVBAGLBSA-N 2 0 193.294 1.471 10 0 ADAERP [NH3+]CCCC[NH2+]Cc1ccc(O)cc1 37714605 572182073 /nfs/dbraw/zinc/18/20/73/572182073.db2.gz YAMUABWNTVDJRQ-UHFFFAOYSA-N 2 0 194.278 1.221 10 0 ADAERP C[C@H]([NH2+]CCCC[NH3+])c1cccnc1 37714803 572182314 /nfs/dbraw/zinc/18/23/14/572182314.db2.gz MJMVSIDTPAPXOI-JTQLQIEISA-N 2 0 193.294 1.471 10 0 ADAERP C[C@@H]([NH2+]CCCC[NH3+])c1ccccn1 37714799 572182396 /nfs/dbraw/zinc/18/23/96/572182396.db2.gz SOUWGOMGXDGSRT-SNVBAGLBSA-N 2 0 193.294 1.471 10 0 ADAERP Cc1nccn1[C@@H]1CCC[C@H]1[NH3+] 19258987 572182444 /nfs/dbraw/zinc/18/24/44/572182444.db2.gz ZXWGAQHHRAVEPW-RKDXNWHRSA-N 2 0 165.240 1.244 10 0 ADAERP CCC[C@@H](C)C[NH2+]CCCC[NH3+] 37715179 572182512 /nfs/dbraw/zinc/18/25/12/572182512.db2.gz PSYQJCWAHOOYCT-SNVBAGLBSA-N 2 0 172.316 1.751 10 0 ADAERP Cc1ccc(C[NH2+]CCCC[NH3+])o1 37714716 572182597 /nfs/dbraw/zinc/18/25/97/572182597.db2.gz VHTIVQWBCIXUHE-UHFFFAOYSA-N 2 0 182.267 1.417 10 0 ADAERP [NH3+]CCCC[NH2+]C1CCSCC1 37715323 572182616 /nfs/dbraw/zinc/18/26/16/572182616.db2.gz FRWNONPHAGZOJE-UHFFFAOYSA-N 2 0 188.340 1.211 10 0 ADAERP CCC[C@H]1C[N@H+](CCC)CCC[NH2+]1 82941581 572182619 /nfs/dbraw/zinc/18/26/19/572182619.db2.gz SOOVPJKJISGLCY-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP C/C=C\C[NH2+]CCC[NH+]1CCCC1 393347102 572182917 /nfs/dbraw/zinc/18/29/17/572182917.db2.gz INMJZVLQYXQMAT-IHWYPQMZSA-N 2 0 182.311 1.638 10 0 ADAERP Cc1nc2ccccc2n1C[C@H](C)[NH3+] 19264736 572182959 /nfs/dbraw/zinc/18/29/59/572182959.db2.gz DBPGFHGFQVGTIV-QMMMGPOBSA-N 2 0 189.262 1.692 10 0 ADAERP CCCCCC[NH2+]CCCC[NH3+] 37715249 572182982 /nfs/dbraw/zinc/18/29/82/572182982.db2.gz UDFBHGDCRXHRDY-UHFFFAOYSA-N 2 0 172.316 1.895 10 0 ADAERP C[C@H]([NH2+]CCCC[NH3+])c1ccncc1 37714801 572182998 /nfs/dbraw/zinc/18/29/98/572182998.db2.gz FJKUAWXELYXZBN-JTQLQIEISA-N 2 0 193.294 1.471 10 0 ADAERP C[C@@H]([NH2+]CCCC[NH3+])C1(C)CC1 37715278 572183032 /nfs/dbraw/zinc/18/30/32/572183032.db2.gz SHHWGSMJMDKOGQ-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP Cc1nccn1[C@H]1CCC[C@@H]1[NH3+] 19258985 572183797 /nfs/dbraw/zinc/18/37/97/572183797.db2.gz ZXWGAQHHRAVEPW-IUCAKERBSA-N 2 0 165.240 1.244 10 0 ADAERP C[C@@H]([NH2+]CCCC[NH3+])c1cccnc1 37714804 572183160 /nfs/dbraw/zinc/18/31/60/572183160.db2.gz MJMVSIDTPAPXOI-SNVBAGLBSA-N 2 0 193.294 1.471 10 0 ADAERP CCC[C@H](C)C[NH2+]CCCC[NH3+] 37715180 572183218 /nfs/dbraw/zinc/18/32/18/572183218.db2.gz PSYQJCWAHOOYCT-JTQLQIEISA-N 2 0 172.316 1.751 10 0 ADAERP Cc1nccn1[C@@H]1CCC[C@@H]1[NH3+] 19258982 572183244 /nfs/dbraw/zinc/18/32/44/572183244.db2.gz ZXWGAQHHRAVEPW-DTWKUNHWSA-N 2 0 165.240 1.244 10 0 ADAERP [NH3+]CCCC[NH2+]C[C@H]1CC=CCC1 37715140 572183304 /nfs/dbraw/zinc/18/33/04/572183304.db2.gz PZCMSUNHJKNQOC-NSHDSACASA-N 2 0 182.311 1.671 10 0 ADAERP C[NH+](C)CCCC[NH2+]C/C=C\Cl 393347507 572183327 /nfs/dbraw/zinc/18/33/27/572183327.db2.gz GYDDHXSBOXHLMG-WAYWQWQTSA-N 2 0 190.718 1.670 10 0 ADAERP CCC[C@H](C)[NH2+]CCCC[NH3+] 37715092 572183341 /nfs/dbraw/zinc/18/33/41/572183341.db2.gz GPPKGIMVZYIFNP-VIFPVBQESA-N 2 0 158.289 1.504 10 0 ADAERP C[C@@H]([NH2+]CCCC[NH3+])C1CC1 37714826 572183386 /nfs/dbraw/zinc/18/33/86/572183386.db2.gz RNTTUYQXWKSNDN-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP Cc1nc(C[NH2+]CCCC[NH3+])cs1 37715240 572183449 /nfs/dbraw/zinc/18/34/49/572183449.db2.gz INWJOASSKBYXCP-UHFFFAOYSA-N 2 0 199.323 1.280 10 0 ADAERP C[C@H]([NH2+]CCCC[NH3+])c1ccccn1 37714798 572183476 /nfs/dbraw/zinc/18/34/76/572183476.db2.gz SOUWGOMGXDGSRT-JTQLQIEISA-N 2 0 193.294 1.471 10 0 ADAERP CCCCC[NH2+]CCCC[NH3+] 37715209 572183558 /nfs/dbraw/zinc/18/35/58/572183558.db2.gz UCOCXEVOKDWCII-UHFFFAOYSA-N 2 0 158.289 1.505 10 0 ADAERP Cc1nc2ccccc2n1C[C@@H](C)[NH3+] 19264734 572183583 /nfs/dbraw/zinc/18/35/83/572183583.db2.gz DBPGFHGFQVGTIV-MRVPVSSYSA-N 2 0 189.262 1.692 10 0 ADAERP CCC(CC)[NH2+]CCCC[NH3+] 37714817 572183591 /nfs/dbraw/zinc/18/35/91/572183591.db2.gz PDZLARHXBMEWCJ-UHFFFAOYSA-N 2 0 158.289 1.504 10 0 ADAERP CSCCC[NH2+]CCCC[NH3+] 37715169 572183711 /nfs/dbraw/zinc/18/37/11/572183711.db2.gz NPVDPZGSSGPVJX-UHFFFAOYSA-N 2 0 176.329 1.068 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 35733665 572184506 /nfs/dbraw/zinc/18/45/06/572184506.db2.gz WJKHUNRPBCNFTE-RKDXNWHRSA-N 2 0 168.284 1.066 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+][C@H]1CC[C@@H]1C 393348105 572184913 /nfs/dbraw/zinc/18/49/13/572184913.db2.gz LKECTQOTGQZEEJ-IUCAKERBSA-N 2 0 170.300 1.373 10 0 ADAERP COCCC[N@H+](CCC[NH3+])C(C)C 37753572 572185344 /nfs/dbraw/zinc/18/53/44/572185344.db2.gz ZTYUEKHIJGLSQF-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP C[NH+](C)Cc1cccc(C(N)=[NH2+])c1 19511903 572185585 /nfs/dbraw/zinc/18/55/85/572185585.db2.gz LAXMTVKGNHTZRL-UHFFFAOYSA-N 2 0 177.251 1.032 10 0 ADAERP CCCC[N@H+](CC)CCC(N)=[NH2+] 19485841 572185592 /nfs/dbraw/zinc/18/55/92/572185592.db2.gz JRHYTFAMEOPJNN-UHFFFAOYSA-N 2 0 171.288 1.434 10 0 ADAERP CCC(C)(C)[NH2+]CC(C)(C)[NH2+]C 393349012 572185719 /nfs/dbraw/zinc/18/57/19/572185719.db2.gz PNGPUZJUAZTLOF-UHFFFAOYSA-N 2 0 172.316 1.763 10 0 ADAERP CCC(C)(C)[N@@H+]1CC[C@H](C[NH3+])C1 19508046 572185813 /nfs/dbraw/zinc/18/58/13/572185813.db2.gz HPHHHIBPONESLA-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(C)(C)[N@@H+]1CC[C@@H](C[NH3+])C1 19508044 572185878 /nfs/dbraw/zinc/18/58/78/572185878.db2.gz HPHHHIBPONESLA-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CCC[N@H+](CCC[NH3+])CCCOC 37753571 572186188 /nfs/dbraw/zinc/18/61/88/572186188.db2.gz MMBJKAMUDRFNTA-UHFFFAOYSA-N 2 0 188.315 1.084 10 0 ADAERP C[NH+](C)Cc1ccccc1C(N)=[NH2+] 19488393 572186319 /nfs/dbraw/zinc/18/63/19/572186319.db2.gz MPRYWWFYDLWRDD-UHFFFAOYSA-N 2 0 177.251 1.032 10 0 ADAERP CC(C)[N@H+](C)CCCC(N)=[NH2+] 19518905 572186822 /nfs/dbraw/zinc/18/68/22/572186822.db2.gz LYNJKZVGSSOGFH-UHFFFAOYSA-N 2 0 157.261 1.043 10 0 ADAERP C[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]1C 83041682 572187216 /nfs/dbraw/zinc/18/72/16/572187216.db2.gz BLDOUKVNTILXTC-UMNHJUIQSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+](CCC(N)=[NH2+])C1 19503546 572187636 /nfs/dbraw/zinc/18/76/36/572187636.db2.gz KQGYQJZTZNZFTL-DTORHVGOSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]C[C@@H](C)c1nccs1 235177443 572187918 /nfs/dbraw/zinc/18/79/18/572187918.db2.gz FEYMZJBXOYPZLZ-HTQZYQBOSA-N 2 0 199.323 1.183 10 0 ADAERP C[C@@H]1C[C@@H](C)C[NH+](CCC(N)=[NH2+])C1 19503544 572187996 /nfs/dbraw/zinc/18/79/96/572187996.db2.gz KQGYQJZTZNZFTL-RKDXNWHRSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@@H](C[NH2+]C[C@@H](C)[NH3+])c1nccs1 235177582 572187998 /nfs/dbraw/zinc/18/79/98/572187998.db2.gz FEYMZJBXOYPZLZ-JGVFFNPUSA-N 2 0 199.323 1.183 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CC1(C2CC2)CC1 235177292 572188098 /nfs/dbraw/zinc/18/80/98/572188098.db2.gz ZZJAARLIXNSHMJ-MRVPVSSYSA-N 2 0 168.284 1.113 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CC1(C)CCCCC1 235177194 572188135 /nfs/dbraw/zinc/18/81/35/572188135.db2.gz DQPSGLBENHQMAJ-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CCC(C)(C)[NH+]1CCC([NH3+])CC1 19488842 572188148 /nfs/dbraw/zinc/18/81/48/572188148.db2.gz YCGFKYGGQIOSTQ-UHFFFAOYSA-N 2 0 170.300 1.598 10 0 ADAERP 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/nfs/dbraw/zinc/19/22/74/572192274.db2.gz FNHJICZHVWTYKV-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@H+](C)C[C@@H]1CSCC[C@H]1[NH3+] 249892730 572192581 /nfs/dbraw/zinc/19/25/81/572192581.db2.gz DTMIBNMZCFOZJL-RKDXNWHRSA-N 2 0 188.340 1.019 10 0 ADAERP CC[C@H](C1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 83057944 572192641 /nfs/dbraw/zinc/19/26/41/572192641.db2.gz VINVWPUZNHXESH-MWLCHTKSSA-N 2 0 182.311 1.456 10 0 ADAERP CC[C@H](C1CC1)[NH+]1CCC(C[NH3+])CC1 83057932 572192797 /nfs/dbraw/zinc/19/27/97/572192797.db2.gz BMPLYKHZROETBB-GFCCVEGCSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H]1C[C@H]1[NH2+]C1CC[NH2+]CC1 234086365 572192858 /nfs/dbraw/zinc/19/28/58/572192858.db2.gz MNRGLXOKDFTSRF-WCBMZHEXSA-N 2 0 168.284 1.127 10 0 ADAERP CCSCCC[NH2+]C1CC([NH3+])C1 300971299 572192898 /nfs/dbraw/zinc/19/28/98/572192898.db2.gz RZUJRYMXTPSQMM-UHFFFAOYSA-N 2 0 188.340 1.209 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+]CCN(C)C)[C@@H]1C 83064728 572192972 /nfs/dbraw/zinc/19/29/72/572192972.db2.gz JSJRICZBDHWAAF-IJLUTSLNSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@H]1C[C@H]1[NH2+]CC(C)(C)[NH3+] 234088233 572193115 /nfs/dbraw/zinc/19/31/15/572193115.db2.gz HCZGWLGOWNSKHI-JGVFFNPUSA-N 2 0 156.273 1.112 10 0 ADAERP CCCC[N@H+](C)C[C@H](C[NH3+])C1CC1 397244397 572193152 /nfs/dbraw/zinc/19/31/52/572193152.db2.gz NEDQHZOITKBQAX-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP C[N@@H+]1CCc2cccc(CC[NH3+])c2C1 214613554 572193947 /nfs/dbraw/zinc/19/39/47/572193947.db2.gz ZQMZFNVMEIYIBD-UHFFFAOYSA-N 2 0 190.290 1.176 10 0 ADAERP CC[N@@H+]1Cc2ccc(CC[NH3+])cc2C1 214613478 572193230 /nfs/dbraw/zinc/19/32/30/572193230.db2.gz SCSWYXAPLUUBGG-UHFFFAOYSA-N 2 0 190.290 1.523 10 0 ADAERP CC[C@@H](C1CC1)[NH+]1CCC(C[NH3+])CC1 83057930 572193233 /nfs/dbraw/zinc/19/32/33/572193233.db2.gz BMPLYKHZROETBB-LBPRGKRZSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H](C1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 83057934 572193392 /nfs/dbraw/zinc/19/33/92/572193392.db2.gz IOVZPLIXMWNZMD-PWSUYJOCSA-N 2 0 196.338 1.846 10 0 ADAERP CC[N@H+](C)C[C@@H]1CC[C@@H](C[NH3+])C1 249901588 572193474 /nfs/dbraw/zinc/19/34/74/572193474.db2.gz GLAMNSAVJCZNDK-NXEZZACHSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@H]1CCCC[N@@H+]1CC(C)(C)N 19685455 572193687 /nfs/dbraw/zinc/19/36/87/572193687.db2.gz SQWIZGBURSLZHC-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H](C)CC1([NH3+])CC[NH+](C)CC1 19688816 572193852 /nfs/dbraw/zinc/19/38/52/572193852.db2.gz OLFHDFXKSRVWPD-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093125 572194167 /nfs/dbraw/zinc/19/41/67/572194167.db2.gz OIDFWMVJWUVDBM-GARJFASQSA-N 2 0 182.311 1.469 10 0 ADAERP Cc1ncc(C[NH2+]CCCC[NH3+])s1 37797628 572194635 /nfs/dbraw/zinc/19/46/35/572194635.db2.gz QMHIDFAPEFPJRG-UHFFFAOYSA-N 2 0 199.323 1.280 10 0 ADAERP CC[C@@H]1CCCC[N@@H+]1CC(C)(C)N 19685454 572194522 /nfs/dbraw/zinc/19/45/22/572194522.db2.gz SQWIZGBURSLZHC-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]1C[C@H]1[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 83093165 572194740 /nfs/dbraw/zinc/19/47/40/572194740.db2.gz KPULZJBMHMUICI-ZMLRMANQSA-N 2 0 194.322 1.469 10 0 ADAERP CCCC[N@@H+]1CC[C@H](C)NC[C@H]1C 249885901 572195019 /nfs/dbraw/zinc/19/50/19/572195019.db2.gz QAYKOQNQFBOSOM-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC[N@H+](C)C[C@H]1CSCC[C@H]1[NH3+] 249892729 572195091 /nfs/dbraw/zinc/19/50/91/572195091.db2.gz DTMIBNMZCFOZJL-DTWKUNHWSA-N 2 0 188.340 1.019 10 0 ADAERP CC[N@H+](C)C[C@H]1CC[C@@H](C[NH3+])C1 249901591 572195165 /nfs/dbraw/zinc/19/51/65/572195165.db2.gz GLAMNSAVJCZNDK-ZJUUUORDSA-N 2 0 170.300 1.313 10 0 ADAERP C[C@H]1C[C@@H]1[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 83093161 572195752 /nfs/dbraw/zinc/19/57/52/572195752.db2.gz KPULZJBMHMUICI-DLOVCJGASA-N 2 0 194.322 1.469 10 0 ADAERP CCC[N@@H+]1CCC[C@H](C[C@H](C)[NH3+])C1 249881783 572196351 /nfs/dbraw/zinc/19/63/51/572196351.db2.gz FUXZJPHMIGXCCT-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[C@H](C)[NH3+])C1 249946072 572196673 /nfs/dbraw/zinc/19/66/73/572196673.db2.gz HNHRJKSEWCQVKW-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)CCCC(N)=[NH2+] 38718262 572197049 /nfs/dbraw/zinc/19/70/49/572197049.db2.gz GPNHFHWDHGPMKT-SECBINFHSA-N 2 0 185.315 1.679 10 0 ADAERP CCC[N@@H+]1CCC[C@@H](C[C@H](C)[NH3+])C1 249881782 572197066 /nfs/dbraw/zinc/19/70/66/572197066.db2.gz FUXZJPHMIGXCCT-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCCN1C[C@@H](C)C[C@@H]([NH2+]CC)C1 249947297 572197202 /nfs/dbraw/zinc/19/72/02/572197202.db2.gz HUBFZPKBIGVODM-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@]1(C2CC2)[C@@H]([NH3+])CC[N@@H+]1C1CC1 711935466 572197575 /nfs/dbraw/zinc/19/75/75/572197575.db2.gz RGPDNBBGFYDGAK-QWRGUYRKSA-N 2 0 180.295 1.351 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)CCC(N)=[NH2+] 38718259 572197642 /nfs/dbraw/zinc/19/76/42/572197642.db2.gz ANYBMPBVVAXVRM-QMMMGPOBSA-N 2 0 171.288 1.289 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 38718270 572197844 /nfs/dbraw/zinc/19/78/44/572197844.db2.gz QGUGFADKWOSDCM-RKDXNWHRSA-N 2 0 185.315 1.535 10 0 ADAERP C[C@]1(C2CC2)[C@H]([NH3+])CC[N@@H+]1C1CC1 711935464 572197905 /nfs/dbraw/zinc/19/79/05/572197905.db2.gz RGPDNBBGFYDGAK-MNOVXSKESA-N 2 0 180.295 1.351 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[C@H](C)[NH3+])C1 249946076 572198060 /nfs/dbraw/zinc/19/80/60/572198060.db2.gz HNHRJKSEWCQVKW-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@]1(C2CC2)[C@H]([NH3+])CC[N@@H+]1C1CC1 711935460 572199003 /nfs/dbraw/zinc/19/90/03/572199003.db2.gz RGPDNBBGFYDGAK-GHMZBOCLSA-N 2 0 180.295 1.351 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 38718273 572198344 /nfs/dbraw/zinc/19/83/44/572198344.db2.gz QGUGFADKWOSDCM-BDAKNGLRSA-N 2 0 185.315 1.535 10 0 ADAERP CCCN1C[C@H](C)C[C@@H]([NH2+]CC)C1 249947295 572198353 /nfs/dbraw/zinc/19/83/53/572198353.db2.gz HUBFZPKBIGVODM-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 70619900 572198378 /nfs/dbraw/zinc/19/83/78/572198378.db2.gz XXTCDKBXKQPTFQ-GUBZILKMSA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)CCC(N)=[NH2+] 38718256 572198442 /nfs/dbraw/zinc/19/84/42/572198442.db2.gz ANYBMPBVVAXVRM-MRVPVSSYSA-N 2 0 171.288 1.289 10 0 ADAERP C[C@@]1(C2CC2)[C@@H]([NH3+])CC[N@@H+]1C1CC1 711935470 572198492 /nfs/dbraw/zinc/19/84/92/572198492.db2.gz RGPDNBBGFYDGAK-WDEREUQCSA-N 2 0 180.295 1.351 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)CCCC(N)=[NH2+] 38718267 572198970 /nfs/dbraw/zinc/19/89/70/572198970.db2.gz GPNHFHWDHGPMKT-VIFPVBQESA-N 2 0 185.315 1.679 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 70619902 572199599 /nfs/dbraw/zinc/19/95/99/572199599.db2.gz XXTCDKBXKQPTFQ-AEJSXWLSSA-N 2 0 168.284 1.127 10 0 ADAERP CCC(CC)[N@H+](C)[C@H](C)CC[NH3+] 41042594 572209901 /nfs/dbraw/zinc/20/99/01/572209901.db2.gz VOISCUXDVBPCHH-SECBINFHSA-N 2 0 172.316 1.844 10 0 ADAERP CC[N@H+](CC(C)C)C[C@@H](C)C(N)=[NH2+] 39137131 572201285 /nfs/dbraw/zinc/20/12/85/572201285.db2.gz QZOCBCYJKKEDDH-SECBINFHSA-N 2 0 185.315 1.536 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H](C)C(N)=[NH2+] 39137054 572201591 /nfs/dbraw/zinc/20/15/91/572201591.db2.gz AKVMBOIFHHBBMT-MRVPVSSYSA-N 2 0 171.288 1.146 10 0 ADAERP CCC[N@@H+]1CC[C@H]2[NH2+]CC(C)(C)[C@H]2C1 249964194 572202226 /nfs/dbraw/zinc/20/22/26/572202226.db2.gz JZALAMAIBCURIF-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[N@@H+]1CC[C@@H]2[NH2+]CC(C)(C)[C@H]2C1 249964190 572202364 /nfs/dbraw/zinc/20/23/64/572202364.db2.gz JZALAMAIBCURIF-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H]1C[C@@H]1[NH2+]CC(C)(C)[NH3+] 234096680 572204017 /nfs/dbraw/zinc/20/40/17/572204017.db2.gz HCZGWLGOWNSKHI-YUMQZZPRSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@H]1C[C@@H]1[NH2+]C1CC[NH2+]CC1 234094928 572204146 /nfs/dbraw/zinc/20/41/46/572204146.db2.gz MNRGLXOKDFTSRF-WPRPVWTQSA-N 2 0 168.284 1.127 10 0 ADAERP CC[NH2+]CCCCC[NH+]1CCC1 393351399 572204184 /nfs/dbraw/zinc/20/41/84/572204184.db2.gz VOAITPMJYOIZJZ-UHFFFAOYSA-N 2 0 170.300 1.472 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH2+]CC(C)C 40408746 572206263 /nfs/dbraw/zinc/20/62/63/572206263.db2.gz GFCVLCZJFZOGMW-SNVBAGLBSA-N 2 0 172.316 1.750 10 0 ADAERP CC(C)=CC[N@@H+](C)C1CC[NH2+]CC1 36300567 572204751 /nfs/dbraw/zinc/20/47/51/572204751.db2.gz HWLNNZKCESOFJO-UHFFFAOYSA-N 2 0 182.311 1.636 10 0 ADAERP C[NH2+]CCC[NH2+]CCC(C)C 83339689 572205348 /nfs/dbraw/zinc/20/53/48/572205348.db2.gz PTPFOKAXBBZUCX-UHFFFAOYSA-N 2 0 158.289 1.232 10 0 ADAERP CC[C@@H](C)[NH2+]CCCC[NH2+]C 40408141 572205933 /nfs/dbraw/zinc/20/59/33/572205933.db2.gz WTLFPUCMFBLKHV-SECBINFHSA-N 2 0 158.289 1.374 10 0 ADAERP CCC[NH2+]CCC1CC[NH2+]CC1 40398062 572206295 /nfs/dbraw/zinc/20/62/95/572206295.db2.gz DOEIEUTVXYKEOG-UHFFFAOYSA-N 2 0 170.300 1.376 10 0 ADAERP CC[C@@H](C)[NH2+]CC[NH2+]CC1CC1 40408157 572206443 /nfs/dbraw/zinc/20/64/43/572206443.db2.gz DEQJNGYMMXSBTP-SECBINFHSA-N 2 0 170.300 1.374 10 0 ADAERP CCC[C@H]1[C@@H]([NH2+]C)CC[N@@H+]1C(C)C 711953319 572206462 /nfs/dbraw/zinc/20/64/62/572206462.db2.gz SMUDYSAGVUZZBZ-QWRGUYRKSA-N 2 0 184.327 1.857 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC(C)(C)[C@@H]1[NH3+] 36404156 572206559 /nfs/dbraw/zinc/20/65/59/572206559.db2.gz VGKUQBORKKSJMG-BWZBUEFSSA-N 2 0 156.273 1.097 10 0 ADAERP C[C@H]1C[C@H](n2cc[nH+]c2N)CC[N@@H+]1C 235667588 572206632 /nfs/dbraw/zinc/20/66/32/572206632.db2.gz VQPHODWFQRBJJK-DTWKUNHWSA-N 2 0 194.282 1.121 10 0 ADAERP Cc1c(C[NH3+])cnn1-c1cc[nH+]cc1 19948238 572206751 /nfs/dbraw/zinc/20/67/51/572206751.db2.gz XPBYYLDOILSJCE-UHFFFAOYSA-N 2 0 188.234 1.034 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC(C)(C)[C@@H]1[NH3+] 36404154 572207418 /nfs/dbraw/zinc/20/74/18/572207418.db2.gz VGKUQBORKKSJMG-GJMOJQLCSA-N 2 0 156.273 1.097 10 0 ADAERP CC[C@H](C)[NH2+]CC[NH2+]CC1CC1 40408161 572207925 /nfs/dbraw/zinc/20/79/25/572207925.db2.gz DEQJNGYMMXSBTP-VIFPVBQESA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+]CC(C)C 40408583 572208986 /nfs/dbraw/zinc/20/89/86/572208986.db2.gz MCLLOYCYAFNGEV-NXEZZACHSA-N 2 0 172.316 1.605 10 0 ADAERP CCCCC[C@H](C)[NH2+]CCC[NH3+] 37713488 572209226 /nfs/dbraw/zinc/20/92/26/572209226.db2.gz JWHNVYYIMMJMQP-JTQLQIEISA-N 2 0 172.316 1.894 10 0 ADAERP CC[NH+](CC)CCOC(C)(C)C[NH3+] 83400854 572209562 /nfs/dbraw/zinc/20/95/62/572209562.db2.gz RSBCBFJHJPMWJA-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP C[NH2+]C[C@H](C)C[N@@H+]1CCC2(CC2)C1 400018656 572210008 /nfs/dbraw/zinc/21/00/08/572210008.db2.gz BGLYEINCTJLFHE-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)[C@@H](C)CC[NH3+] 41042592 572210088 /nfs/dbraw/zinc/21/00/88/572210088.db2.gz YKWJGGQNBMCAFR-UWVGGRQHSA-N 2 0 172.316 1.700 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@@H+]1CC[C@H](C)C1 40718414 572210306 /nfs/dbraw/zinc/21/03/06/572210306.db2.gz DTRWKDKEGBSDTO-DTWKUNHWSA-N 2 0 183.299 1.433 10 0 ADAERP CC[N@H+](C(C)C)[C@H](C)CC[NH3+] 41042538 572210410 /nfs/dbraw/zinc/21/04/10/572210410.db2.gz DLVMQFHYTZVKBW-SECBINFHSA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@@H](C)[N@H+](CC)[C@@H](C)CC[NH3+] 41042555 572211038 /nfs/dbraw/zinc/21/10/38/572211038.db2.gz AXJUKTOGHRUQMS-ZJUUUORDSA-N 2 0 172.316 1.844 10 0 ADAERP C[C@@H](CC[NH3+])[N@H+](C)[C@@H](C)C1CC1 41042589 572211274 /nfs/dbraw/zinc/21/12/74/572211274.db2.gz LTTMRECKXYBRHH-IUCAKERBSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[N@H+](CC1CC1)[C@@H](C)CC[NH3+] 41042569 572211178 /nfs/dbraw/zinc/21/11/78/572211178.db2.gz KZQZURMGCJGBNU-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H](C1CC1)[N@@H+](C)[C@H](C)CC[NH3+] 41042590 572211388 /nfs/dbraw/zinc/21/13/88/572211388.db2.gz LTTMRECKXYBRHH-BDAKNGLRSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)C[N@H+](C)[C@H](C)CC[NH3+] 41042550 572211513 /nfs/dbraw/zinc/21/15/13/572211513.db2.gz AQHSPIYIJMBYPP-SECBINFHSA-N 2 0 158.289 1.312 10 0 ADAERP CCCC[N@H+](CC)[C@H](C)CC[NH3+] 41042514 572211570 /nfs/dbraw/zinc/21/15/70/572211570.db2.gz QEHZTAAEHSOFGF-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@@H+]1CC[C@H](C)C1 40718413 572211584 /nfs/dbraw/zinc/21/15/84/572211584.db2.gz DTRWKDKEGBSDTO-IUCAKERBSA-N 2 0 183.299 1.433 10 0 ADAERP CC[N@@H+](C1CCCC1)[C@@H](C)CC[NH3+] 41042575 572211808 /nfs/dbraw/zinc/21/18/08/572211808.db2.gz LMMFPLDHCUHZRD-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H](CC[NH3+])[N@H+](C)Cc1ccncc1 41042586 572211830 /nfs/dbraw/zinc/21/18/30/572211830.db2.gz FOJLFVOHOYFHAS-SNVBAGLBSA-N 2 0 193.294 1.251 10 0 ADAERP CCC[N@H+](CC)[C@@H](C)CC[NH3+] 41042541 572211855 /nfs/dbraw/zinc/21/18/55/572211855.db2.gz NXFDBTOSQJXKDM-VIFPVBQESA-N 2 0 158.289 1.456 10 0 ADAERP CC(C)C[N@H+](C)[C@@H](C)CC[NH3+] 41042549 572211884 /nfs/dbraw/zinc/21/18/84/572211884.db2.gz AQHSPIYIJMBYPP-VIFPVBQESA-N 2 0 158.289 1.312 10 0 ADAERP CCCC[N@H+](CC)[C@@H](C)CC[NH3+] 41042513 572211920 /nfs/dbraw/zinc/21/19/20/572211920.db2.gz QEHZTAAEHSOFGF-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP CCC(CC)[N@H+](C)[C@@H](C)CC[NH3+] 41042593 572211966 /nfs/dbraw/zinc/21/19/66/572211966.db2.gz VOISCUXDVBPCHH-VIFPVBQESA-N 2 0 172.316 1.844 10 0 ADAERP CCC[N@H+](CC)[C@H](C)CC[NH3+] 41042542 572212362 /nfs/dbraw/zinc/21/23/62/572212362.db2.gz NXFDBTOSQJXKDM-SECBINFHSA-N 2 0 158.289 1.456 10 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/nfs/dbraw/zinc/21/31/07/572213107.db2.gz KINMEMBYZMEHNR-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CC[C@@H](CC[NH3+])[N@@H+]1CC[C@H](C)C1 40717028 572213267 /nfs/dbraw/zinc/21/32/67/572213267.db2.gz ZMBXKCQXPHVIAR-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@H](C)[N@H+](C)[C@@H](C)CC[NH3+] 41042596 572213331 /nfs/dbraw/zinc/21/33/31/572213331.db2.gz DUJRYFQSCZZDCW-UWVGGRQHSA-N 2 0 172.316 1.844 10 0 ADAERP Cc1[nH+]c(C[C@H](C)[NH3+])c2ccccn12 20263610 572214246 /nfs/dbraw/zinc/21/42/46/572214246.db2.gz DXLSSJMSYJEUAH-QMMMGPOBSA-N 2 0 189.262 1.532 10 0 ADAERP Cc1[nH+]c(C[C@@H](C)[NH3+])c2ccccn12 20263608 572214333 /nfs/dbraw/zinc/21/43/33/572214333.db2.gz DXLSSJMSYJEUAH-MRVPVSSYSA-N 2 0 189.262 1.532 10 0 ADAERP CC[C@@H]([NH3+])CC[NH+]1CCC(C)CC1 83422308 572218045 /nfs/dbraw/zinc/21/80/45/572218045.db2.gz SWUBTZADTQLLQN-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC[NH2+]C[C@H]1CCC[NH2+]C1 41202807 572214903 /nfs/dbraw/zinc/21/49/03/572214903.db2.gz IQYSTUODAUHHEL-NSHDSACASA-N 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572216736 /nfs/dbraw/zinc/21/67/36/572216736.db2.gz HQNWMPJWEMZVOA-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CCC[N@@H+]1CCC[C@@H](CC[NH3+])CC1 83423979 572216742 /nfs/dbraw/zinc/21/67/42/572216742.db2.gz BXHHQAKOOWEECY-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1[NH+]1CCCC1 43806977 572216947 /nfs/dbraw/zinc/21/69/47/572216947.db2.gz WPPPEZJTRAIXQZ-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CCCC1 36677439 572216966 /nfs/dbraw/zinc/21/69/66/572216966.db2.gz MNBAKWIOWAVOAF-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP CC[NH2+]CC12CCC[NH+]1CCC2 140422243 572216996 /nfs/dbraw/zinc/21/69/96/572216996.db2.gz XFYAXBRICQABMC-UHFFFAOYSA-N 2 0 168.284 1.224 10 0 ADAERP C[C@H](C[NH+]1CCCCCCC1)C(N)=[NH2+] 36678502 572217016 /nfs/dbraw/zinc/21/70/16/572217016.db2.gz LHCOLJLAKPBCCX-SNVBAGLBSA-N 2 0 197.326 1.825 10 0 ADAERP CC(C)[N@@H+](C)CC[C@H](C)[NH3+] 20429205 572217062 /nfs/dbraw/zinc/21/70/62/572217062.db2.gz ZPGBPEBNZJBAPM-QMMMGPOBSA-N 2 0 144.262 1.064 10 0 ADAERP CC[C@H]([NH3+])CC[NH+]1CCC(C)CC1 83422302 572217150 /nfs/dbraw/zinc/21/71/50/572217150.db2.gz SWUBTZADTQLLQN-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@@H+]1CCC[C@H](CC[NH3+])CC1 83423978 572217399 /nfs/dbraw/zinc/21/73/99/572217399.db2.gz BXHHQAKOOWEECY-LLVKDONJSA-N 2 0 184.327 1.847 10 0 ADAERP C[NH2+][C@H](C)CC[NH+]1CCCC1 43807182 572217407 /nfs/dbraw/zinc/21/74/07/572217407.db2.gz IEPSVOJXRKIHAT-SECBINFHSA-N 2 0 156.273 1.080 10 0 ADAERP CC[C@@H]([NH3+])CC[NH+]1CCCCCC1 83422301 572217681 /nfs/dbraw/zinc/21/76/81/572217681.db2.gz DZYQAFBEZPZZGD-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP CC[C@@H]([NH3+])CC[NH+]1CCCCC1 83422281 572217885 /nfs/dbraw/zinc/21/78/85/572217885.db2.gz SVSBHPMXTGGVQI-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CC[N@@H+]1CC[C@@H]([NH2+]C)[C@@]1(C)CC1CC1 711974385 572217892 /nfs/dbraw/zinc/21/78/92/572217892.db2.gz XAXVJWSBEZRWGX-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H]([NH3+])CC[NH+]1CCCCC1 83422278 572218267 /nfs/dbraw/zinc/21/82/67/572218267.db2.gz SVSBHPMXTGGVQI-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CC[C@H]1CC[N@@H+](C2(C[NH3+])CC2)C1 234106006 572218630 /nfs/dbraw/zinc/21/86/30/572218630.db2.gz RQEZTJPPBDXSGW-VIFPVBQESA-N 2 0 168.284 1.210 10 0 ADAERP CC1CC[NH+](C[C@@H](C)C(N)=[NH2+])CC1 36677896 572218719 /nfs/dbraw/zinc/21/87/19/572218719.db2.gz BOTHIKTYAPPPCB-SECBINFHSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@H]([NH3+])CC[NH+]1CCCCCCC1 20429225 572218917 /nfs/dbraw/zinc/21/89/17/572218917.db2.gz WAVOREREGJOAPB-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP C[C@H]([NH3+])CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 20429187 572218978 /nfs/dbraw/zinc/21/89/78/572218978.db2.gz BNJBPLNHRPWIBO-AXFHLTTASA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CCCC1 36677438 572219156 /nfs/dbraw/zinc/21/91/56/572219156.db2.gz MNBAKWIOWAVOAF-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP CC1CC[NH+](C[C@H](C)C(N)=[NH2+])CC1 36677897 572219183 /nfs/dbraw/zinc/21/91/83/572219183.db2.gz BOTHIKTYAPPPCB-VIFPVBQESA-N 2 0 183.299 1.290 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+](CC[C@@H](C)[NH3+])C1 20429186 572219727 /nfs/dbraw/zinc/21/97/27/572219727.db2.gz BNJBPLNHRPWIBO-OUAUKWLOSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]1CCCC[N@H+]1CC[C@@H](C)[NH3+] 20429196 572219831 /nfs/dbraw/zinc/21/98/31/572219831.db2.gz FKJUBXOAFFYPRZ-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]([NH3+])CC[N@@H+]1CCCC[C@@H]1C 20429197 572220059 /nfs/dbraw/zinc/22/00/59/572220059.db2.gz FKJUBXOAFFYPRZ-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]([NH3+])CC[NH+]1C[C@H](C)C[C@@H](C)C1 20429189 572220099 /nfs/dbraw/zinc/22/00/99/572220099.db2.gz BNJBPLNHRPWIBO-MXWKQRLJSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C1CC[NH2+]CC1 36787486 572220432 /nfs/dbraw/zinc/22/04/32/572220432.db2.gz UIJWBCHKDSEMAB-JTQLQIEISA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[N@@H+](C)CC[C@@H](C)[NH3+] 20429204 572220477 /nfs/dbraw/zinc/22/04/77/572220477.db2.gz ZPGBPEBNZJBAPM-MRVPVSSYSA-N 2 0 144.262 1.064 10 0 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192.253 1.229 10 0 ADAERP CN[C@H](C[NH3+])c1ccc(OC)c(F)c1 83445778 572222407 /nfs/dbraw/zinc/22/24/07/572222407.db2.gz SCWISAXGGJBIHY-SECBINFHSA-N 2 0 198.241 1.054 10 0 ADAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCC[NH3+])C1 235673345 572222549 /nfs/dbraw/zinc/22/25/49/572222549.db2.gz NDOWRLXFPXGPAG-ZYHUDNBSSA-N 2 0 196.338 1.917 10 0 ADAERP C[N@H+](CCCC[NH3+])Cc1ccccn1 36777114 572222871 /nfs/dbraw/zinc/22/28/71/572222871.db2.gz GTPSADOVARMAIQ-UHFFFAOYSA-N 2 0 193.294 1.252 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH2+]CC(F)F 393364749 572222921 /nfs/dbraw/zinc/22/29/21/572222921.db2.gz BDUIJELXBIKYNS-ZETCQYMHSA-N 2 0 180.242 1.216 10 0 ADAERP C[C@H](CC[NH3+])CC[NH2+]CC(F)F 393364747 572223130 /nfs/dbraw/zinc/22/31/30/572223130.db2.gz BDUIJELXBIKYNS-SSDOTTSWSA-N 2 0 180.242 1.216 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH2+]CCC1CC1 393365040 572223382 /nfs/dbraw/zinc/22/33/82/572223382.db2.gz AEHAMAVCBBGTSF-JTQLQIEISA-N 2 0 184.327 1.751 10 0 ADAERP C[C@H]1C[C@@H](Nc2[nH]cc[nH+]2)CC[N@@H+]1C 235676369 572224393 /nfs/dbraw/zinc/22/43/93/572224393.db2.gz YDVQGQQZIPLBKG-IUCAKERBSA-N 2 0 194.282 1.304 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12CC[C@@H](C)C2 711984721 572224769 /nfs/dbraw/zinc/22/47/69/572224769.db2.gz NDUYTICPNYIDDI-VWYCJHECSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 36827246 572224828 /nfs/dbraw/zinc/22/48/28/572224828.db2.gz KTVKPWFSFNLGGA-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)CC1CC1 43905586 572225541 /nfs/dbraw/zinc/22/55/41/572225541.db2.gz QNFIGAURJAEEMS-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP [NH3+]CCCC/C=C/CCCC[NH3+] 113139610 572225817 /nfs/dbraw/zinc/22/58/17/572225817.db2.gz DYBUSKVIKQANAB-OWOJBTEDSA-N 2 0 170.300 1.801 10 0 ADAERP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CC[C@@H](C)C1 43908485 572227226 /nfs/dbraw/zinc/22/72/26/572227226.db2.gz PVUXSFJYJXMHTQ-BBBLOLIVSA-N 2 0 170.300 1.325 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](C)C1 43908591 572226120 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/nfs/dbraw/zinc/24/14/60/572241460.db2.gz MOWNECWZGCVPEB-SDDRHHMPSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1CCCC[C@H]1C 43809957 572241464 /nfs/dbraw/zinc/24/14/64/572241464.db2.gz CYVZCUGERIATOS-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H]1CC[C@@]12[C@@H]([NH3+])CC[N@@H+]2CC1CC1 712025284 572241508 /nfs/dbraw/zinc/24/15/08/572241508.db2.gz WNVSMPPWWVYMGT-USWWRNFRSA-N 2 0 194.322 1.598 10 0 ADAERP C[C@@H](CC[NH3+])CC[NH2+]CCCF 393369252 572241687 /nfs/dbraw/zinc/24/16/87/572241687.db2.gz JUUPFFOSJSUCHI-VIFPVBQESA-N 2 0 176.279 1.311 10 0 ADAERP CCC[NH2+][C@@H](C)CN1CC[C@H](C)C1 43909257 572241855 /nfs/dbraw/zinc/24/18/55/572241855.db2.gz URCKYZSJVCGBKE-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[NH2+][C@H](C)CN1CC[C@H](C)C1 43909260 572241888 /nfs/dbraw/zinc/24/18/88/572241888.db2.gz URCKYZSJVCGBKE-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[N@@H+](CC1CCC([NH3+])CC1)CC1CC1 37925752 572243340 /nfs/dbraw/zinc/24/33/40/572243340.db2.gz 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184.327 1.715 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1CC 712033890 572242501 /nfs/dbraw/zinc/24/25/01/572242501.db2.gz SDQMAQAJQBDSKM-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@H](C)[C@@]1(C)[C@H]([NH2+]C)CC[N@@H+]1C 712033864 572242667 /nfs/dbraw/zinc/24/26/67/572242667.db2.gz NTWMKHPKSVCREK-AXFHLTTASA-N 2 0 184.327 1.715 10 0 ADAERP C[N@H+](CC1CC1)CC1([NH3+])CCCC1 37925758 572242847 /nfs/dbraw/zinc/24/28/47/572242847.db2.gz UTWPWFWYBYKHAG-UHFFFAOYSA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)[NH2+]CCC[N@H+](C)CC1CC1 37925747 572242854 /nfs/dbraw/zinc/24/28/54/572242854.db2.gz BJSSSTPQVWWMFF-UHFFFAOYSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@H]1CC 712033893 572242947 /nfs/dbraw/zinc/24/29/47/572242947.db2.gz SDQMAQAJQBDSKM-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP C[N@H+](CCCC(N)=[NH2+])CC1CC1 37925645 572242996 /nfs/dbraw/zinc/24/29/96/572242996.db2.gz CNTBVUSFGOCFIC-UHFFFAOYSA-N 2 0 169.272 1.044 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1CC 712034567 572243047 /nfs/dbraw/zinc/24/30/47/572243047.db2.gz SDQMAQAJQBDSKM-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP CCC1(C[NH2+][C@H](C)C[NH2+]C)CC1 393370036 572243114 /nfs/dbraw/zinc/24/31/14/572243114.db2.gz LGICVVMYGBSJHE-SECBINFHSA-N 2 0 170.300 1.374 10 0 ADAERP CCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527964 572243205 /nfs/dbraw/zinc/24/32/05/572243205.db2.gz LHJKDJSLYAIYHJ-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H](CC[NH3+])[N@H+](C)CC1CC1 37925136 572243326 /nfs/dbraw/zinc/24/33/26/572243326.db2.gz GNHOXHDATBZDOX-MRVPVSSYSA-N 2 0 156.273 1.066 10 0 ADAERP CCC1(C[NH2+][C@@H](C)C[NH2+]C)CC1 393370037 572243412 /nfs/dbraw/zinc/24/34/12/572243412.db2.gz LGICVVMYGBSJHE-VIFPVBQESA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@H](C)[C@]1(C)[C@H]([NH2+]C)CC[N@@H+]1C 712033879 572243418 /nfs/dbraw/zinc/24/34/18/572243418.db2.gz NTWMKHPKSVCREK-HBNTYKKESA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H](CC[NH3+])[N@H+](C)CC1CC1 37925135 572243494 /nfs/dbraw/zinc/24/34/94/572243494.db2.gz GNHOXHDATBZDOX-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP C[N@H+](CC1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37925123 572243602 /nfs/dbraw/zinc/24/36/02/572243602.db2.gz ITQIFEPINYEJER-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[N@H+](CC1CC1)CC1([NH3+])CCCCC1 37925728 572243617 /nfs/dbraw/zinc/24/36/17/572243617.db2.gz FPPRXFSOSUASDO-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP CCC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527965 572243633 /nfs/dbraw/zinc/24/36/33/572243633.db2.gz LHJKDJSLYAIYHJ-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1CC 712034550 572243675 /nfs/dbraw/zinc/24/36/75/572243675.db2.gz SDQMAQAJQBDSKM-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H]([NH3+])[C@@]12CC[C@@H]2C 712031980 572243875 /nfs/dbraw/zinc/24/38/75/572243875.db2.gz PTQKKDLKCPDDJR-SRVKXCTJSA-N 2 0 196.338 1.844 10 0 ADAERP C[N@H+](CC1CC1)[C@H]1CCCC[C@@H]1C[NH3+] 37925107 572243887 /nfs/dbraw/zinc/24/38/87/572243887.db2.gz KTZIKZCJDOHVQL-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 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572244577 /nfs/dbraw/zinc/24/45/77/572244577.db2.gz VFNGRYPEPCWCKF-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H]1CC[C@]2(C1)[C@@H]([NH3+])CC[N@@H+]2C 712034389 572244919 /nfs/dbraw/zinc/24/49/19/572244919.db2.gz UZIGIWUVKNVVTE-VWYCJHECSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]([NH3+])CCC[N@@H+]1CCC[C@H]1C 45600793 572244944 /nfs/dbraw/zinc/24/49/44/572244944.db2.gz RINBVAJGPCUVNM-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@@H]([NH3+])CCCC[N@@H+]1CCC[C@H]1C 45600789 572244950 /nfs/dbraw/zinc/24/49/50/572244950.db2.gz FUNHLSAWMUMEOF-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]1CC[N@@H+](CCC[C@@H](C)[NH3+])C1 45601043 572245128 /nfs/dbraw/zinc/24/51/28/572245128.db2.gz IPMIKBKHIRXLGB-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CCCC[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49707361 572249137 /nfs/dbraw/zinc/24/91/37/572249137.db2.gz ZMBUMMBAJXXVJW-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@@H]1CC[C@@]2(C1)[C@@H]([NH3+])CC[N@@H+]2C 712034382 572245431 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NIELRDRQPUBNNN-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP CC(C)C[NH2+]C[C@@H](C)N1CCCC1 47889507 572246513 /nfs/dbraw/zinc/24/65/13/572246513.db2.gz WXSGIEIRFXJHGC-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+]C[C@H](C(C)C)N(CC)CC 47944624 572246765 /nfs/dbraw/zinc/24/67/65/572246765.db2.gz RUHRTOXQSZJTEG-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP CCCC[NH2+]C[C@@H](C)N1CCCC1 47889519 572247306 /nfs/dbraw/zinc/24/73/06/572247306.db2.gz MZMOLOVGNREJNQ-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[C@@H]([NH2+]CCC[NH3+])c1cncc(F)c1 235214940 572247693 /nfs/dbraw/zinc/24/76/93/572247693.db2.gz VULAYRWHITYWGC-MRVPVSSYSA-N 2 0 197.257 1.220 10 0 ADAERP CC[NH2+]C[C@@H](C(C)C)N(CC)CC 47944622 572247998 /nfs/dbraw/zinc/24/79/98/572247998.db2.gz RUHRTOXQSZJTEG-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC(C)C[NH2+]C[C@H](C)N1CCCC1 47889510 572248184 /nfs/dbraw/zinc/24/81/84/572248184.db2.gz WXSGIEIRFXJHGC-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH+](CC)CC1(C[NH3+])CC1 49804630 572249115 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1.504 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CCC(C)C)C[C@H]1C 49707371 572249367 /nfs/dbraw/zinc/24/93/67/572249367.db2.gz LNUDAJQUXAYHLM-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC2CC2)[C@H](C)C1 49694116 572249383 /nfs/dbraw/zinc/24/93/83/572249383.db2.gz HZBNEWZJPZJWDW-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH2+]CC)C[C@@H]1C 49709131 572249415 /nfs/dbraw/zinc/24/94/15/572249415.db2.gz YUOAGHMPGPSCHW-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CCCC[NH2+]C[C@H](C)CC[NH3+] 49804666 572249428 /nfs/dbraw/zinc/24/94/28/572249428.db2.gz CSPVCQBBRQXZIE-SECBINFHSA-N 2 0 158.289 1.361 10 0 ADAERP CCCC[N@H+](C)CC[C@H](C)C[NH3+] 49805079 572249445 /nfs/dbraw/zinc/24/94/45/572249445.db2.gz HSCHLHOKIIEVCO-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]C(C)(C)C 49804676 572249716 /nfs/dbraw/zinc/24/97/16/572249716.db2.gz JKNWMBGQCGUYPC-MRVPVSSYSA-N 2 0 158.289 1.359 10 0 ADAERP CCCC[NH2+]CC[C@@H](C)C[NH3+] 49804653 572249779 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/nfs/dbraw/zinc/33/64/29/572336429.db2.gz WLGDFNVYJRDSAT-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H]1C 52273423 572336683 /nfs/dbraw/zinc/33/66/83/572336683.db2.gz FULVXKQYNAJDID-WTPMCQDGSA-N 2 0 196.338 1.713 10 0 ADAERP CC(C)C(C)(C)[NH2+]CCN(C)C 238206934 572336733 /nfs/dbraw/zinc/33/67/33/572336733.db2.gz AQRJGKQWYSAPOI-UHFFFAOYSA-N 2 0 172.316 1.572 10 0 ADAERP CCC[NH2+][C@]1(CN)CS[C@@H](C)C1 86936783 572336754 /nfs/dbraw/zinc/33/67/54/572336754.db2.gz YNZRRDRNBCUTRZ-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]1SCCC[C@@H]1[NH2+]CCC[NH3+] 86943864 572336774 /nfs/dbraw/zinc/33/67/74/572336774.db2.gz XRESJRUNDIMBTK-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP C[NH2+]CC[C@H]1CC[N@@H+](C2CCCC2)C1 77296121 572336856 /nfs/dbraw/zinc/33/68/56/572336856.db2.gz DSWVWOBCVUUCQO-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP CCC[C@@H](C[NH3+])Nc1cc[nH+]cc1C 83568786 572338594 /nfs/dbraw/zinc/33/85/94/572338594.db2.gz YJWLZCZRXVDPQR-JTQLQIEISA-N 2 0 193.294 1.929 10 0 ADAERP C[NH2+]CC[C@@H]1CC[N@@H+](C2CCCC2)C1 77296120 572336955 /nfs/dbraw/zinc/33/69/55/572336955.db2.gz DSWVWOBCVUUCQO-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[NH2+][C@]1(CN)CS[C@H](C)C1 86936785 572336966 /nfs/dbraw/zinc/33/69/66/572336966.db2.gz YNZRRDRNBCUTRZ-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]1SCCC[C@H]1[NH2+]CCC[NH3+] 86943858 572337352 /nfs/dbraw/zinc/33/73/52/572337352.db2.gz XRESJRUNDIMBTK-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP CCC[C@H](C[NH3+])Nc1cc[nH+]cc1 83568653 572337396 /nfs/dbraw/zinc/33/73/96/572337396.db2.gz SGWGOWBWWKVTQY-SNVBAGLBSA-N 2 0 179.267 1.621 10 0 ADAERP C[NH2+]CCN(C)[C@H]1CS[C@H](C)C1 86937662 572337416 /nfs/dbraw/zinc/33/74/16/572337416.db2.gz IHKOCEWWALHCCU-RKDXNWHRSA-N 2 0 188.340 1.032 10 0 ADAERP CC(C)[C@H]([NH3+])C[NH2+]C1CCC1 52212346 572337435 /nfs/dbraw/zinc/33/74/35/572337435.db2.gz YKLLEOISBYMTGI-SECBINFHSA-N 2 0 156.273 1.112 10 0 ADAERP CCCC1(C[NH3+])CC[NH+](C2CC2)CC1 77296119 572337796 /nfs/dbraw/zinc/33/77/96/572337796.db2.gz RRFDVUCTNGXKIW-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC1 52212349 572337936 /nfs/dbraw/zinc/33/79/36/572337936.db2.gz YKLLEOISBYMTGI-VIFPVBQESA-N 2 0 156.273 1.112 10 0 ADAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])CS1 86935256 572338047 /nfs/dbraw/zinc/33/80/47/572338047.db2.gz WLGDFNVYJRDSAT-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP CCC[C@@H](C[NH3+])Nc1cc[nH+]cc1 83568651 572338050 /nfs/dbraw/zinc/33/80/50/572338050.db2.gz SGWGOWBWWKVTQY-JTQLQIEISA-N 2 0 179.267 1.621 10 0 ADAERP CCC[C@H](C[NH3+])Nc1cc[nH+]cc1C 83568790 572338073 /nfs/dbraw/zinc/33/80/73/572338073.db2.gz YJWLZCZRXVDPQR-SNVBAGLBSA-N 2 0 193.294 1.929 10 0 ADAERP [NH3+]C[C@@H](C[NH2+]CCCF)CC1CC1 404843322 572338333 /nfs/dbraw/zinc/33/83/33/572338333.db2.gz LXAZDHLEWWTYSB-JTQLQIEISA-N 2 0 188.290 1.311 10 0 ADAERP CCn1cc[nH+]c1N[C@@H](C[NH3+])C1CC1 83565734 572338537 /nfs/dbraw/zinc/33/85/37/572338537.db2.gz AZGRKNGXJIVURP-VIFPVBQESA-N 2 0 194.282 1.052 10 0 ADAERP CCC[NH2+][C@@]1(CN)CS[C@H](C)C1 86936784 572338589 /nfs/dbraw/zinc/33/85/89/572338589.db2.gz YNZRRDRNBCUTRZ-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]1SCCC[C@@H]1[NH2+]CCC[NH3+] 86943862 572338688 /nfs/dbraw/zinc/33/86/88/572338688.db2.gz XRESJRUNDIMBTK-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCC[N@H+](C)C1 52272930 572338777 /nfs/dbraw/zinc/33/87/77/572338777.db2.gz OVVOWLDLLYMKIM-KXNHARMFSA-N 2 0 196.338 1.715 10 0 ADAERP CCn1cc[nH+]c1N[C@H](C[NH3+])C(C)C 83569131 572338797 /nfs/dbraw/zinc/33/87/97/572338797.db2.gz ULWQLDYUUUCVOT-SECBINFHSA-N 2 0 196.298 1.298 10 0 ADAERP CCn1cc[nH+]c1N[C@H](C[NH3+])C1CC1 83565735 572338808 /nfs/dbraw/zinc/33/88/08/572338808.db2.gz AZGRKNGXJIVURP-SECBINFHSA-N 2 0 194.282 1.052 10 0 ADAERP C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCC[N@H+](C)C1 52272934 572338895 /nfs/dbraw/zinc/33/88/95/572338895.db2.gz OVVOWLDLLYMKIM-WRWGMCAJSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CS1 86935259 572338913 /nfs/dbraw/zinc/33/89/13/572338913.db2.gz WLGDFNVYJRDSAT-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])CS1 86935258 572338953 /nfs/dbraw/zinc/33/89/53/572338953.db2.gz WLGDFNVYJRDSAT-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]1SCCC[C@H]1[NH2+]CCC[NH3+] 86943860 572338978 /nfs/dbraw/zinc/33/89/78/572338978.db2.gz XRESJRUNDIMBTK-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP [NH3+]CCCCCC[n+]1ccccc1 196592333 572338995 /nfs/dbraw/zinc/33/89/95/572338995.db2.gz QNLAISKVVKFAHF-UHFFFAOYSA-N 2 0 179.287 1.493 10 0 ADAERP CCC[NH2+][C@@]1(CN)CS[C@@H](C)C1 86936782 572339109 /nfs/dbraw/zinc/33/91/09/572339109.db2.gz YNZRRDRNBCUTRZ-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP CCC[C@@H](C[NH3+])Nc1[nH+]ccn1CC 83568759 572339033 /nfs/dbraw/zinc/33/90/33/572339033.db2.gz XZWZMVHZYGIZFC-VIFPVBQESA-N 2 0 196.298 1.442 10 0 ADAERP C[NH2+]CCN(C)[C@@H]1CS[C@@H](C)C1 86937661 572339184 /nfs/dbraw/zinc/33/91/84/572339184.db2.gz IHKOCEWWALHCCU-IUCAKERBSA-N 2 0 188.340 1.032 10 0 ADAERP CCC[C@H](C[NH3+])Nc1[nH+]ccn1CC 83568760 572339317 /nfs/dbraw/zinc/33/93/17/572339317.db2.gz XZWZMVHZYGIZFC-SECBINFHSA-N 2 0 196.298 1.442 10 0 ADAERP C[NH2+]CCN(C)[C@@H]1CS[C@H](C)C1 86937660 572339330 /nfs/dbraw/zinc/33/93/30/572339330.db2.gz IHKOCEWWALHCCU-BDAKNGLRSA-N 2 0 188.340 1.032 10 0 ADAERP C[NH2+]CCN(C)[C@H]1CS[C@@H](C)C1 86937663 572339373 /nfs/dbraw/zinc/33/93/73/572339373.db2.gz IHKOCEWWALHCCU-DTWKUNHWSA-N 2 0 188.340 1.032 10 0 ADAERP CC(C)C[C@H](C[NH3+])C1CC[NH+](C)CC1 77296485 572339530 /nfs/dbraw/zinc/33/95/30/572339530.db2.gz BBDYJCIJDNFDHZ-GFCCVEGCSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[NH2+]C[C@@H](C)[C@H](C)C[NH3+] 238214807 572340103 /nfs/dbraw/zinc/34/01/03/572340103.db2.gz BWCSUVJTKDUSOV-RKDXNWHRSA-N 2 0 158.289 1.217 10 0 ADAERP CC[NH+](CC)C/C=C1\CNC(=[NH2+])S1 307982497 572340220 /nfs/dbraw/zinc/34/02/20/572340220.db2.gz GWSCEKRIGWDYCH-VMPITWQZSA-N 2 0 199.323 1.274 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]CCCC1CC[NH2+]CC1 52294694 572340321 /nfs/dbraw/zinc/34/03/21/572340321.db2.gz CZNPJPXXJIZNIW-ZYHUDNBSSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1C[C@H]1NC[C@@H]1CCCC[NH2+]1 52294264 572340530 /nfs/dbraw/zinc/34/05/30/572340530.db2.gz UDNRYOIOKQZDHY-KXUCPTDWSA-N 2 0 168.284 1.127 10 0 ADAERP CCC[NH2+]C[C@@H](C)[C@@H](C)C[NH3+] 238214772 572340947 /nfs/dbraw/zinc/34/09/47/572340947.db2.gz BWCSUVJTKDUSOV-DTWKUNHWSA-N 2 0 158.289 1.217 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]CCCCCCC[NH3+] 52294318 572340993 /nfs/dbraw/zinc/34/09/93/572340993.db2.gz DMCGQGLPWNFEOF-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 52298951 572341137 /nfs/dbraw/zinc/34/11/37/572341137.db2.gz MHLHILRWVDAWEN-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1C[C@H]1NC[C@@H]1CCCC[NH2+]1 52294267 572341159 /nfs/dbraw/zinc/34/11/59/572341159.db2.gz UDNRYOIOKQZDHY-LPEHRKFASA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C1CC[NH+](C)CC1 77296484 572341208 /nfs/dbraw/zinc/34/12/08/572341208.db2.gz BBDYJCIJDNFDHZ-LBPRGKRZSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 52294409 572341218 /nfs/dbraw/zinc/34/12/18/572341218.db2.gz HQNTYWBFHCANAQ-BXKDBHETSA-N 2 0 190.290 1.643 10 0 ADAERP CCC[N@H+](CC)C[C@H](CC)C[NH3+] 83606770 572344505 /nfs/dbraw/zinc/34/45/05/572344505.db2.gz CUPDCXNTWRXNNR-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 52294710 572341775 /nfs/dbraw/zinc/34/17/75/572341775.db2.gz LAGADWPSALCMKJ-KOLCDFICSA-N 2 0 182.311 1.374 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)[C@H](C)C1 52289060 572342094 /nfs/dbraw/zinc/34/20/94/572342094.db2.gz IJTQYOBPLJOKDI-IRCOFANPSA-N 2 0 196.338 1.857 10 0 ADAERP C[NH2+]CCCCC[NH+]1CCCCC1 52421274 572344324 /nfs/dbraw/zinc/34/43/24/572344324.db2.gz SFMFGWPONKKGFM-UHFFFAOYSA-N 2 0 184.327 1.862 10 0 ADAERP C[C@@H]1C[C@@H]1NC[C@@H]1CCCC[NH2+]1 52294259 572342163 /nfs/dbraw/zinc/34/21/63/572342163.db2.gz UDNRYOIOKQZDHY-UTLUCORTSA-N 2 0 168.284 1.127 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C1CCCC1 83607396 572343011 /nfs/dbraw/zinc/34/30/11/572343011.db2.gz XZGBJIVLBTYKSA-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CCC[N@H+](C)C[C@@H](C[NH3+])C(C)C 83606806 572343065 /nfs/dbraw/zinc/34/30/65/572343065.db2.gz OSFSLIZCSSKQJA-SNVBAGLBSA-N 2 0 172.316 1.559 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+]C1CCC1 83608863 572350757 /nfs/dbraw/zinc/35/07/57/572350757.db2.gz NDDKIQDEYZCRKT-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP C[C@H]1C[C@@H]1NC[C@@H]1CCCC[NH2+]1 52294262 572342696 /nfs/dbraw/zinc/34/26/96/572342696.db2.gz UDNRYOIOKQZDHY-GUBZILKMSA-N 2 0 168.284 1.127 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C(C)(C)C 83607312 572344041 /nfs/dbraw/zinc/34/40/41/572344041.db2.gz RMCBPEAFFNNAAN-MRVPVSSYSA-N 2 0 158.289 1.359 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+][C@@H](C)CC 83607341 572342968 /nfs/dbraw/zinc/34/29/68/572342968.db2.gz JVOJHMDOCLSAMD-UWVGGRQHSA-N 2 0 172.316 1.750 10 0 ADAERP CC1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 83606259 572342989 /nfs/dbraw/zinc/34/29/89/572342989.db2.gz WZSLMMAJROFNLV-GFCCVEGCSA-N 2 0 198.354 1.949 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)CC(C)C 83606816 572343085 /nfs/dbraw/zinc/34/30/85/572343085.db2.gz HODRKRYNCNMTAT-SNVBAGLBSA-N 2 0 172.316 1.559 10 0 ADAERP CC[C@H](C[NH3+])C[N@@H+]1CC[C@H](C)C1 83607528 572343128 /nfs/dbraw/zinc/34/31/28/572343128.db2.gz RDQMGMWRMBVBJJ-VHSXEESVSA-N 2 0 170.300 1.313 10 0 ADAERP CCC[N@H+](C[C@@H](CC)C[NH3+])C1CC1 83606792 572343144 /nfs/dbraw/zinc/34/31/44/572343144.db2.gz NYEWSOPMPAPNJA-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@H+](CC)C[C@H](C[NH3+])C(C)C 83606774 572343227 /nfs/dbraw/zinc/34/32/27/572343227.db2.gz RLHNPZXYRXSFMZ-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@@H](C[NH3+])C(C)C 83606830 572343279 /nfs/dbraw/zinc/34/32/79/572343279.db2.gz NZIDBKMZIVEWLZ-WDEREUQCSA-N 2 0 186.343 1.948 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H](CC)C[NH3+] 83607355 572343442 /nfs/dbraw/zinc/34/34/42/572343442.db2.gz RNDCUXXQFLMRSS-DTWKUNHWSA-N 2 0 158.289 1.359 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]CC1CC1 83607426 572343447 /nfs/dbraw/zinc/34/34/47/572343447.db2.gz MVLIUDIXOFWHAN-SNVBAGLBSA-N 2 0 170.300 1.361 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)C(C)C 83606475 572343472 /nfs/dbraw/zinc/34/34/72/572343472.db2.gz KKASQUAKBROIPT-VIFPVBQESA-N 2 0 158.289 1.312 10 0 ADAERP CC[N@H+](C[C@H](C[NH3+])C(C)C)C(C)C 83606738 572343550 /nfs/dbraw/zinc/34/35/50/572343550.db2.gz IRZSXYLPDCRIRV-NSHDSACASA-N 2 0 186.343 1.948 10 0 ADAERP CC[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 83606525 572343563 /nfs/dbraw/zinc/34/35/63/572343563.db2.gz KWCWERKXZMASGN-GRYCIOLGSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]Cc1ccco1 83607331 572343579 /nfs/dbraw/zinc/34/35/79/572343579.db2.gz CDJCNWZNXTXPCN-SNVBAGLBSA-N 2 0 196.294 1.744 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1C 83606302 572343649 /nfs/dbraw/zinc/34/36/49/572343649.db2.gz LFKSSLSCBZYESE-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@H](C)CC 83607347 572343660 /nfs/dbraw/zinc/34/36/60/572343660.db2.gz JVOJHMDOCLSAMD-NXEZZACHSA-N 2 0 172.316 1.750 10 0 ADAERP CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1CC1 83606714 572345600 /nfs/dbraw/zinc/34/56/00/572345600.db2.gz CEUVQZFHYUOQGD-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+]Cc1ccco1 83607339 572343691 /nfs/dbraw/zinc/34/36/91/572343691.db2.gz MUAROBDVYWZQFI-SNVBAGLBSA-N 2 0 196.294 1.600 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]CC(C)C 83607385 572343704 /nfs/dbraw/zinc/34/37/04/572343704.db2.gz IELLUYVLQVJNMH-VIFPVBQESA-N 2 0 158.289 1.217 10 0 ADAERP CCCC[N@H+](C)C[C@@H](CC)C[NH3+] 83606431 572343709 /nfs/dbraw/zinc/34/37/09/572343709.db2.gz HHTRYYHLNWUVGX-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP CCCC[N@H+](C)C[C@@H](C[NH3+])C(C)C 83606435 572343737 /nfs/dbraw/zinc/34/37/37/572343737.db2.gz PPVGQLZKDFPRIT-LLVKDONJSA-N 2 0 186.343 1.949 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)CC1CC1 83607233 572343774 /nfs/dbraw/zinc/34/37/74/572343774.db2.gz HIZCYIOYNLWFOI-SECBINFHSA-N 2 0 170.300 1.313 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H]1C 83607205 572343790 /nfs/dbraw/zinc/34/37/90/572343790.db2.gz XPIYXCMMDVTMFB-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[NH2+]C[C@@H](C[NH3+])CCC 83607295 572343867 /nfs/dbraw/zinc/34/38/67/572343867.db2.gz IJLBGERKPHYHNN-SECBINFHSA-N 2 0 158.289 1.361 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+][C@@H](C)CC 83607351 572343963 /nfs/dbraw/zinc/34/39/63/572343963.db2.gz RNDCUXXQFLMRSS-IUCAKERBSA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]CC(C)(C)C 83607503 572343970 /nfs/dbraw/zinc/34/39/70/572343970.db2.gz HFXCSWGSQPSETC-SECBINFHSA-N 2 0 172.316 1.607 10 0 ADAERP CCC[C@H](C[NH3+])C[N@H+](C)CC1CC1 83607229 572344072 /nfs/dbraw/zinc/34/40/72/572344072.db2.gz RFHPBJLIKYZYGD-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@H+](C)C1CC1 83606718 572343978 /nfs/dbraw/zinc/34/39/78/572343978.db2.gz GYCCBMDKEHKSHH-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@H+](C)CCC 83606799 572343993 /nfs/dbraw/zinc/34/39/93/572343993.db2.gz AGHYVRPDHSQTON-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]CC(C)(C)C 83607498 572344014 /nfs/dbraw/zinc/34/40/14/572344014.db2.gz WRNYBYXVTSYPSG-SNVBAGLBSA-N 2 0 186.343 1.997 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@@H]1CC1(C)C 83608603 572344024 /nfs/dbraw/zinc/34/40/24/572344024.db2.gz VIJSIFFMGYFKPK-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP CCCC[NH2+]C[C@H](C[NH3+])CCC 83607449 572344096 /nfs/dbraw/zinc/34/40/96/572344096.db2.gz WUCILQQEBNEZIX-JTQLQIEISA-N 2 0 172.316 1.751 10 0 ADAERP C[NH2+]CCCCC[N@H+](C)C(C)C 52419650 572344125 /nfs/dbraw/zinc/34/41/25/572344125.db2.gz UVIDYTQXWBLTOZ-UHFFFAOYSA-N 2 0 172.316 1.716 10 0 ADAERP CC[C@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1C 83606304 572344187 /nfs/dbraw/zinc/34/41/87/572344187.db2.gz LFKSSLSCBZYESE-WDEREUQCSA-N 2 0 184.327 1.846 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/nfs/dbraw/zinc/34/43/30/572344330.db2.gz BCOUMFSONCBUIA-JTQLQIEISA-N 2 0 172.316 1.559 10 0 ADAERP CC[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])C(C)C 83606829 572344343 /nfs/dbraw/zinc/34/43/43/572344343.db2.gz NZIDBKMZIVEWLZ-GHMZBOCLSA-N 2 0 186.343 1.948 10 0 ADAERP CC1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 83606260 572344366 /nfs/dbraw/zinc/34/43/66/572344366.db2.gz WZSLMMAJROFNLV-LBPRGKRZSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[C@H](C[NH3+])C[N@H+](C)C(C)C 83606473 572344376 /nfs/dbraw/zinc/34/43/76/572344376.db2.gz YWKRUAQAKXJQEI-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CC(C)[NH2+]C[C@@H](C[NH3+])C(C)C 83607327 572344406 /nfs/dbraw/zinc/34/44/06/572344406.db2.gz RLCCPZLRXGOKGY-SECBINFHSA-N 2 0 158.289 1.215 10 0 ADAERP CCC[C@H](C[NH3+])C[N@@H+]1CC[C@H](C)C1 83607522 572344412 /nfs/dbraw/zinc/34/44/12/572344412.db2.gz UWCAUQLACZSEMU-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+][C@@H]1CC1(C)C 83608600 572346160 /nfs/dbraw/zinc/34/61/60/572346160.db2.gz 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CC[C@H](C[NH3+])C[NH+](CC)CC 83606292 572344570 /nfs/dbraw/zinc/34/45/70/572344570.db2.gz DUUWMZIEIQXWCX-SECBINFHSA-N 2 0 158.289 1.313 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H]1C 83607215 572344633 /nfs/dbraw/zinc/34/46/33/572344633.db2.gz NQULQKJKXGQNGI-WDEREUQCSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 83607037 572346357 /nfs/dbraw/zinc/34/63/57/572346357.db2.gz GESVYTLNDJOVBF-CMPLNLGQSA-N 2 0 198.354 1.948 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH+](CC)CC 83606286 572344659 /nfs/dbraw/zinc/34/46/59/572344659.db2.gz MVZAGOADDLNZST-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@@H](C)CC 83607343 572344667 /nfs/dbraw/zinc/34/46/67/572344667.db2.gz JVOJHMDOCLSAMD-VHSXEESVSA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C1CCCC1 83607398 572344690 /nfs/dbraw/zinc/34/46/90/572344690.db2.gz XZGBJIVLBTYKSA-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@@H+]1CC[C@H](C)C1 83607521 572344697 /nfs/dbraw/zinc/34/46/97/572344697.db2.gz UWCAUQLACZSEMU-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]Cc1cccs1 83607261 572344721 /nfs/dbraw/zinc/34/47/21/572344721.db2.gz HUJQMRBEOMXPEH-SECBINFHSA-N 2 0 198.335 1.823 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@H+](C)CC(C)C 83606810 572344734 /nfs/dbraw/zinc/34/47/34/572344734.db2.gz ARAQWTZHRAZOTD-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CCC[C@H](C[NH3+])C[N@H+](C)CC 83606696 572344754 /nfs/dbraw/zinc/34/47/54/572344754.db2.gz DXULQTGAOXMFOM-SECBINFHSA-N 2 0 158.289 1.313 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)[C@@H](C)C(C)C 83607046 572344770 /nfs/dbraw/zinc/34/47/70/572344770.db2.gz CONBPDYXYCSTLK-WDEREUQCSA-N 2 0 186.343 1.948 10 0 ADAERP CSCCC[N@H+](C)C/C=C\C[NH3+] 307980033 572344775 /nfs/dbraw/zinc/34/47/75/572344775.db2.gz NGOBSFOJMZRBBC-ARJAWSKDSA-N 2 0 188.340 1.186 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C(C)C 83607044 572344785 /nfs/dbraw/zinc/34/47/85/572344785.db2.gz CONBPDYXYCSTLK-QWRGUYRKSA-N 2 0 186.343 1.948 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[N@H+](C)CC1CC1 83607236 572345394 /nfs/dbraw/zinc/34/53/94/572345394.db2.gz APHMNUNEDOGMKA-NSHDSACASA-N 2 0 184.327 1.559 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](CC)CC(C)C 83606836 572344838 /nfs/dbraw/zinc/34/48/38/572344838.db2.gz YAMXBOQJEUPLSC-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP [NH3+][C@@H](c1ccncc1)C1CC[NH2+]CC1 60299686 572344858 /nfs/dbraw/zinc/34/48/58/572344858.db2.gz FMIIVJHNJSTMIQ-NSHDSACASA-N 2 0 191.278 1.081 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH+]1CCCC1 83606262 572344891 /nfs/dbraw/zinc/34/48/91/572344891.db2.gz MTRCBOFZIGCLBQ-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]C(C)C 83607319 572344904 /nfs/dbraw/zinc/34/49/04/572344904.db2.gz BZADTDFBFAVVME-SECBINFHSA-N 2 0 158.289 1.359 10 0 ADAERP CCCC[N@H+](C)C[C@H](C[NH3+])C(C)C 83606437 572344936 /nfs/dbraw/zinc/34/49/36/572344936.db2.gz PPVGQLZKDFPRIT-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+](C)C[C@H](C)CC 83606869 572344956 /nfs/dbraw/zinc/34/49/56/572344956.db2.gz ZXGRUKUUXXAXHZ-MNOVXSKESA-N 2 0 186.343 1.949 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](C)C1 83606358 572345000 /nfs/dbraw/zinc/34/50/00/572345000.db2.gz HPOCDCHLPGGEDP-VXGBXAGGSA-N 2 0 198.354 1.949 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 83607034 572345019 /nfs/dbraw/zinc/34/50/19/572345019.db2.gz OMHQLNJIMPZOEJ-VHSXEESVSA-N 2 0 184.327 1.702 10 0 ADAERP CCCC[N@H+](C)C[C@H](CC)C[NH3+] 83606433 572345030 /nfs/dbraw/zinc/34/50/30/572345030.db2.gz HHTRYYHLNWUVGX-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 83607036 572345052 /nfs/dbraw/zinc/34/50/52/572345052.db2.gz GESVYTLNDJOVBF-JQWIXIFHSA-N 2 0 198.354 1.948 10 0 ADAERP CC[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C)C1 83606357 572345156 /nfs/dbraw/zinc/34/51/56/572345156.db2.gz WLMXJEGZLPFTTN-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[NH2+]C[C@@H](C[NH3+])C(C)C 83607301 572345089 /nfs/dbraw/zinc/34/50/89/572345089.db2.gz 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CC[N@H+](C[C@H](C[NH3+])C(C)C)C1CC1 83606717 572345170 /nfs/dbraw/zinc/34/51/70/572345170.db2.gz CEUVQZFHYUOQGD-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@H](C[NH3+])C[N@H+](C)CCC 83606801 572345197 /nfs/dbraw/zinc/34/51/97/572345197.db2.gz AGHYVRPDHSQTON-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP CC[N@H+](C)C[C@@H](C[NH3+])C(C)C 83606702 572345205 /nfs/dbraw/zinc/34/52/05/572345205.db2.gz KLJFQCLXJPQRHM-SECBINFHSA-N 2 0 158.289 1.169 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H]1CC 83607223 572345234 /nfs/dbraw/zinc/34/52/34/572345234.db2.gz MXAPQRUFHMRMQX-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@H](C[NH3+])C[NH+](CC)CC 83606288 572345243 /nfs/dbraw/zinc/34/52/43/572345243.db2.gz MVZAGOADDLNZST-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP C[NH2+]CC[C@H](C)[N@H+](C)C1CC1 52445323 572345262 /nfs/dbraw/zinc/34/52/62/572345262.db2.gz VLCRBNXCZJZDDN-QMMMGPOBSA-N 2 0 156.273 1.079 10 0 ADAERP CCC[NH2+]C[C@H](C[NH3+])C(C)C 83607303 572345277 /nfs/dbraw/zinc/34/52/77/572345277.db2.gz ZRRCJMUZBVRTSB-VIFPVBQESA-N 2 0 158.289 1.217 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)C(C)C 83606477 572345281 /nfs/dbraw/zinc/34/52/81/572345281.db2.gz KKASQUAKBROIPT-SECBINFHSA-N 2 0 158.289 1.312 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]CC(C)C 83607386 572345293 /nfs/dbraw/zinc/34/52/93/572345293.db2.gz IELLUYVLQVJNMH-SECBINFHSA-N 2 0 158.289 1.217 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H](C[NH3+])C(C)C 83607364 572345303 /nfs/dbraw/zinc/34/53/03/572345303.db2.gz MBOXCCFGMZYXPW-ZJUUUORDSA-N 2 0 172.316 1.605 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)C1CC1 83606723 572345308 /nfs/dbraw/zinc/34/53/08/572345308.db2.gz WRALZKORTCEVEP-MRVPVSSYSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)CC1CC1 83607232 572345334 /nfs/dbraw/zinc/34/53/34/572345334.db2.gz HIZCYIOYNLWFOI-VIFPVBQESA-N 2 0 170.300 1.313 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+]CC(C)(C)C 83607497 572345351 /nfs/dbraw/zinc/34/53/51/572345351.db2.gz WRNYBYXVTSYPSG-JTQLQIEISA-N 2 0 186.343 1.997 10 0 ADAERP CC[C@H](C[NH3+])C[NH+]1CCC(C)CC1 83606256 572345357 /nfs/dbraw/zinc/34/53/57/572345357.db2.gz CSGAIJXHGHMLRS-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH+]1CCCCC1 83606556 572345373 /nfs/dbraw/zinc/34/53/73/572345373.db2.gz PQFRCEYMJAJKQC-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@H](C)CC 83607353 572345419 /nfs/dbraw/zinc/34/54/19/572345419.db2.gz RNDCUXXQFLMRSS-RKDXNWHRSA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@H](C[NH3+])C[NH+]1CCCCC1 83606554 572346661 /nfs/dbraw/zinc/34/66/61/572346661.db2.gz KNMALIPUBYLFBX-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+]C(C)C 83607317 572346752 /nfs/dbraw/zinc/34/67/52/572346752.db2.gz BZADTDFBFAVVME-VIFPVBQESA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)C1CCCC1 83606755 572345462 /nfs/dbraw/zinc/34/54/62/572345462.db2.gz KTIHVFKLKMMSHW-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@H+](C)CC 83606694 572345477 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172.316 1.463 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)C1CC1 83606721 572346346 /nfs/dbraw/zinc/34/63/46/572346346.db2.gz WRALZKORTCEVEP-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@@H](C[NH3+])C[NH+]1CCCCC1 83606551 572346385 /nfs/dbraw/zinc/34/63/85/572346385.db2.gz KNMALIPUBYLFBX-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)CC(C)(C)C 83608587 572346401 /nfs/dbraw/zinc/34/64/01/572346401.db2.gz QUQYIPJJVYLXEU-JTQLQIEISA-N 2 0 186.343 1.949 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)CC(C)C 83606814 572346419 /nfs/dbraw/zinc/34/64/19/572346419.db2.gz HODRKRYNCNMTAT-JTQLQIEISA-N 2 0 172.316 1.559 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H](C[NH3+])C(C)C 83607366 572346446 /nfs/dbraw/zinc/34/64/46/572346446.db2.gz MBOXCCFGMZYXPW-UWVGGRQHSA-N 2 0 172.316 1.605 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH+]1CCCC1 83606273 572346744 /nfs/dbraw/zinc/34/67/44/572346744.db2.gz WYAHDTSJALCTSA-SNVBAGLBSA-N 2 0 170.300 1.313 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1ccco1 83607337 572346552 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170.300 1.457 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C(C1CC1)C1CC1 83608074 572346891 /nfs/dbraw/zinc/34/68/91/572346891.db2.gz JMJDWHCFUGXAEV-SECBINFHSA-N 2 0 196.338 1.750 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+]C1CCCC1 83607402 572346901 /nfs/dbraw/zinc/34/69/01/572346901.db2.gz KEJDIYICTKIFSE-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+]CC(C)(C)C 83607507 572346913 /nfs/dbraw/zinc/34/69/13/572346913.db2.gz IULXEGJDTFIMKQ-SNVBAGLBSA-N 2 0 186.343 1.853 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C1CC1 83607032 572346929 /nfs/dbraw/zinc/34/69/29/572346929.db2.gz OMHQLNJIMPZOEJ-UWVGGRQHSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@H]1CC 83607221 572347096 /nfs/dbraw/zinc/34/70/96/572347096.db2.gz MXAPQRUFHMRMQX-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]C1CCCC1 83607394 572346969 /nfs/dbraw/zinc/34/69/69/572346969.db2.gz FAVNZJGEFOJXBN-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH+]1CCCCC1 83606558 572346983 /nfs/dbraw/zinc/34/69/83/572346983.db2.gz PQFRCEYMJAJKQC-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C)C1 83606360 572346990 /nfs/dbraw/zinc/34/69/90/572346990.db2.gz HPOCDCHLPGGEDP-NWDGAFQWSA-N 2 0 198.354 1.949 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]CCc1ccco1 83608062 572347004 /nfs/dbraw/zinc/34/70/04/572347004.db2.gz YZLNRZJCEOIPQR-JTQLQIEISA-N 2 0 196.294 1.397 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[N@H+](C)C(C)C 83606479 572347030 /nfs/dbraw/zinc/34/70/30/572347030.db2.gz JITJDICZGHSCJT-JTQLQIEISA-N 2 0 172.316 1.558 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[N@H+](C)C1CC1 83606725 572347055 /nfs/dbraw/zinc/34/70/55/572347055.db2.gz CMXGTPDQWRPCKU-VIFPVBQESA-N 2 0 170.300 1.312 10 0 ADAERP CCC[N@H+](C)CCC[NH2+]CC(C)C 52444444 572347059 /nfs/dbraw/zinc/34/70/59/572347059.db2.gz KSASWZQOIXWGNQ-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H]1C 83607210 572347061 /nfs/dbraw/zinc/34/70/61/572347061.db2.gz 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CCC[NH2+]C[C@H](C[NH3+])CCC 83607293 572347245 /nfs/dbraw/zinc/34/72/45/572347245.db2.gz IJLBGERKPHYHNN-VIFPVBQESA-N 2 0 158.289 1.361 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)C1CCCC1 83606757 572347251 /nfs/dbraw/zinc/34/72/51/572347251.db2.gz KTIHVFKLKMMSHW-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@H+](CC)C1CC1 83606706 572347277 /nfs/dbraw/zinc/34/72/77/572347277.db2.gz HGFJRVHXBBBGGH-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+]C(C)(C)C 83607313 572347296 /nfs/dbraw/zinc/34/72/96/572347296.db2.gz OJQUXOBIPAJJPA-VIFPVBQESA-N 2 0 172.316 1.605 10 0 ADAERP CCCC[N@H+](CC)C[C@@H](C)C[NH2+]C 52418695 572347300 /nfs/dbraw/zinc/34/73/00/572347300.db2.gz LGQFFZFBZSPEIS-NSHDSACASA-N 2 0 186.343 1.964 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)CCC(C)C 83607682 572347303 /nfs/dbraw/zinc/34/73/03/572347303.db2.gz XVAXIZOEDGIWTL-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[C@@H]([NH3+])CC)C1 238217734 572347311 /nfs/dbraw/zinc/34/73/11/572347311.db2.gz GIQIQVWWAWBBLZ-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC1(C[NH2+]CCN(C)C)CC1 391956281 572347472 /nfs/dbraw/zinc/34/74/72/572347472.db2.gz IYDCKKUDHBVJQW-UHFFFAOYSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C[C@@H](C)C(C)C 83609668 572347565 /nfs/dbraw/zinc/34/75/65/572347565.db2.gz IQHKBCZEMDBYGI-GHMZBOCLSA-N 2 0 186.343 1.853 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H](CC)C[NH3+] 83608943 572347659 /nfs/dbraw/zinc/34/76/59/572347659.db2.gz KYFUIHJCNXEOMP-UWVGGRQHSA-N 2 0 172.316 1.607 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@@H](C[NH3+])C(C)C 83609430 572347685 /nfs/dbraw/zinc/34/76/85/572347685.db2.gz QUVLEJURCGLAQJ-GFCCVEGCSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC1(C)C 83608618 572347732 /nfs/dbraw/zinc/34/77/32/572347732.db2.gz HHFRADFYWYCCOF-VHSXEESVSA-N 2 0 184.327 1.605 10 0 ADAERP CC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])o1 87048319 572347754 /nfs/dbraw/zinc/34/77/54/572347754.db2.gz SMDNLDUNBZAENY-MRVPVSSYSA-N 2 0 182.267 1.626 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC1(C)C 83608619 572347775 /nfs/dbraw/zinc/34/77/75/572347775.db2.gz HHFRADFYWYCCOF-NXEZZACHSA-N 2 0 184.327 1.605 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]1C 83608890 572348156 /nfs/dbraw/zinc/34/81/56/572348156.db2.gz VMEASFVIBBMETQ-BBBLOLIVSA-N 2 0 170.300 1.215 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](CC1CC1)C1CC1 83609649 572347810 /nfs/dbraw/zinc/34/78/10/572347810.db2.gz GMWUCMMLOANCCL-JTQLQIEISA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H](CC)C[NH3+] 83608945 572347906 /nfs/dbraw/zinc/34/79/06/572347906.db2.gz KYFUIHJCNXEOMP-NXEZZACHSA-N 2 0 172.316 1.607 10 0 ADAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)C1CC1 52445673 572347996 /nfs/dbraw/zinc/34/79/96/572347996.db2.gz LQTCILBBFRCIKD-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[C@@H]([NH3+])CC)C1 238218039 572348002 /nfs/dbraw/zinc/34/80/02/572348002.db2.gz GIQIQVWWAWBBLZ-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C[C@H](C)CC 83608941 572348027 /nfs/dbraw/zinc/34/80/27/572348027.db2.gz KYFUIHJCNXEOMP-ZJUUUORDSA-N 2 0 172.316 1.607 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+]1CCCC1(C)C 83609158 572348034 /nfs/dbraw/zinc/34/80/34/572348034.db2.gz GMVMGGGWUGKAOL-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](C)[NH2+]Cc1ccc(C[NH3+])o1 87048321 572348076 /nfs/dbraw/zinc/34/80/76/572348076.db2.gz SMDNLDUNBZAENY-QMMMGPOBSA-N 2 0 182.267 1.626 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C[NH3+])o1 87048777 572348108 /nfs/dbraw/zinc/34/81/08/572348108.db2.gz LGXBIIWKGMQUNM-XCBNKYQSSA-N 2 0 180.251 1.236 10 0 ADAERP CCCC[NH2+]Cc1ccc(C[NH3+])o1 87048441 572348230 /nfs/dbraw/zinc/34/82/30/572348230.db2.gz HSCGBXMQBKPDLK-UHFFFAOYSA-N 2 0 182.267 1.628 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@@H](C[NH3+])C(C)C 83608950 572348253 /nfs/dbraw/zinc/34/82/53/572348253.db2.gz PYFISDPFGRGWEM-GHMZBOCLSA-N 2 0 186.343 1.853 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@@H]1CC1(C)C 83608611 572348165 /nfs/dbraw/zinc/34/81/65/572348165.db2.gz OPDWABNGGDNOSY-RKDXNWHRSA-N 2 0 170.300 1.359 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+]C[C@H](C)CC 83608937 572348346 /nfs/dbraw/zinc/34/83/46/572348346.db2.gz REJFQABRZRKPBO-MNOVXSKESA-N 2 0 186.343 1.997 10 0 ADAERP CC[NH2+]CC[C@@H](C)[N@H+](C)CC 52446402 572348444 /nfs/dbraw/zinc/34/84/44/572348444.db2.gz AIJPMGSUNCOGQR-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CC1(C)C[C@H]1[NH2+]Cc1ccc(C[NH3+])o1 87048684 572348496 /nfs/dbraw/zinc/34/84/96/572348496.db2.gz HOAMNEPDPKRXTA-SNVBAGLBSA-N 2 0 194.278 1.626 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](CC)CC1CC1 83609427 572348528 /nfs/dbraw/zinc/34/85/28/572348528.db2.gz UCLWSGKYUWCHCS-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]Cc1ccc(C)o1 83608902 572348608 /nfs/dbraw/zinc/34/86/08/572348608.db2.gz QFBCWRBYSNMEDG-JTQLQIEISA-N 2 0 196.294 1.663 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+]C1CCC1 83608870 572348616 /nfs/dbraw/zinc/34/86/16/572348616.db2.gz KOYPGCPMZOURCU-VIFPVBQESA-N 2 0 170.300 1.359 10 0 ADAERP CC[N@H+](C(C)C)[C@@H](C)CC[NH2+]C 52446739 572348621 /nfs/dbraw/zinc/34/86/21/572348621.db2.gz ADNKDOXUNLSHKL-JTQLQIEISA-N 2 0 172.316 1.715 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H](CC)C[NH3+] 83608947 572348632 /nfs/dbraw/zinc/34/86/32/572348632.db2.gz KYFUIHJCNXEOMP-VHSXEESVSA-N 2 0 172.316 1.607 10 0 ADAERP CC[C@H](C[NH3+])C[N@@H+]1CCCC1(C)C 83609160 572348670 /nfs/dbraw/zinc/34/86/70/572348670.db2.gz GMVMGGGWUGKAOL-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+][C@H]1CC1(C)C 83608606 572348688 /nfs/dbraw/zinc/34/86/88/572348688.db2.gz VIJSIFFMGYFKPK-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+][C@H]1CC1(C)C 83608614 572348774 /nfs/dbraw/zinc/34/87/74/572348774.db2.gz OPDWABNGGDNOSY-IUCAKERBSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCCC2)O1 87048359 572348786 /nfs/dbraw/zinc/34/87/86/572348786.db2.gz JCLOVVBUEZSIIW-GHMZBOCLSA-N 2 0 198.310 1.025 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+]C[C@@H](C)CC 83608932 572348788 /nfs/dbraw/zinc/34/87/88/572348788.db2.gz REJFQABRZRKPBO-QWRGUYRKSA-N 2 0 186.343 1.997 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@H]1CC1(C)C 83608607 572348800 /nfs/dbraw/zinc/34/88/00/572348800.db2.gz VIJSIFFMGYFKPK-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C[C@H](C)C(C)C 83609670 572348806 /nfs/dbraw/zinc/34/88/06/572348806.db2.gz IQHKBCZEMDBYGI-QWRGUYRKSA-N 2 0 186.343 1.853 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]C[C@H](C)CC 83608938 572348848 /nfs/dbraw/zinc/34/88/48/572348848.db2.gz REJFQABRZRKPBO-GHMZBOCLSA-N 2 0 186.343 1.997 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C[NH3+])o1 87048781 572348892 /nfs/dbraw/zinc/34/88/92/572348892.db2.gz LGXBIIWKGMQUNM-XVKPBYJWSA-N 2 0 180.251 1.236 10 0 ADAERP CCC[C@H](C[NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 83609406 572348900 /nfs/dbraw/zinc/34/89/00/572348900.db2.gz FXMPVQXOLUPWLM-TUAOUCFPSA-N 2 0 198.354 1.949 10 0 ADAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CC[NH2+]C 52454033 572348979 /nfs/dbraw/zinc/34/89/79/572348979.db2.gz HHUAOWNUJOPWQM-MNOVXSKESA-N 2 0 186.343 1.962 10 0 ADAERP CCC[NH2+]Cc1ccc(C[NH3+])o1 87048256 572348996 /nfs/dbraw/zinc/34/89/96/572348996.db2.gz OBXCZGNXKMONOT-UHFFFAOYSA-N 2 0 168.240 1.238 10 0 ADAERP [NH3+]C[C@@H]1CC[C@H](C[NH2+]C2CCCC2)O1 87048365 572349010 /nfs/dbraw/zinc/34/90/10/572349010.db2.gz JCLOVVBUEZSIIW-WDEREUQCSA-N 2 0 198.310 1.025 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)CC1CCC1 83609000 572349029 /nfs/dbraw/zinc/34/90/29/572349029.db2.gz NNJNKUWOFUZUQR-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC[N@H+](CCCCC[NH2+]C)C1CC1 52452162 572349031 /nfs/dbraw/zinc/34/90/31/572349031.db2.gz NPWGEYIDLWAQRM-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](C)CC1CCC1 83608998 572349068 /nfs/dbraw/zinc/34/90/68/572349068.db2.gz NNJNKUWOFUZUQR-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]CCC(F)(F)F 83609171 572349102 /nfs/dbraw/zinc/34/91/02/572349102.db2.gz ZMDCPQKKVDOUQL-SSDOTTSWSA-N 2 0 198.232 1.513 10 0 ADAERP CC[NH2+]CC[C@@H](C)[N@H+](C)C1CC1 52445667 572349114 /nfs/dbraw/zinc/34/91/14/572349114.db2.gz TZVGHHSUMLDHMW-SECBINFHSA-N 2 0 170.300 1.469 10 0 ADAERP CCCC[C@H]([NH3+])[C@H]1CCCC[NH2+]1 238217191 572349186 /nfs/dbraw/zinc/34/91/86/572349186.db2.gz OIYQFUPHIXCBDK-VHSXEESVSA-N 2 0 170.300 1.646 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C[NH3+])o1 87048784 572349204 /nfs/dbraw/zinc/34/92/04/572349204.db2.gz LGXBIIWKGMQUNM-GMSGAONNSA-N 2 0 180.251 1.236 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)C[C@@H]1C[C@H]1C 83609415 572349236 /nfs/dbraw/zinc/34/92/36/572349236.db2.gz BULOWFHYMVUIMG-GRYCIOLGSA-N 2 0 198.354 1.805 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C1(C)CCCC1 83609710 572349273 /nfs/dbraw/zinc/34/92/73/572349273.db2.gz QQXVEJYCEITBDI-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H]1C 83608879 572349282 /nfs/dbraw/zinc/34/92/82/572349282.db2.gz IPXKYYPVAZWAGY-AEJSXWLSSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]Cc1ccsc1 83609209 572349296 /nfs/dbraw/zinc/34/92/96/572349296.db2.gz QYQMQPPULYXBNX-SECBINFHSA-N 2 0 198.335 1.823 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C1CCC1 83608867 572349382 /nfs/dbraw/zinc/34/93/82/572349382.db2.gz UQLCWUCSQRHCMI-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)C[C@H]1C[C@H]1C 83609412 572349355 /nfs/dbraw/zinc/34/93/55/572349355.db2.gz BULOWFHYMVUIMG-IJLUTSLNSA-N 2 0 198.354 1.805 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@H]1CC1(C)C 83608615 572349398 /nfs/dbraw/zinc/34/93/98/572349398.db2.gz OPDWABNGGDNOSY-BDAKNGLRSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]Cc1ccc(C)o1 83608904 572349426 /nfs/dbraw/zinc/34/94/26/572349426.db2.gz QFBCWRBYSNMEDG-SNVBAGLBSA-N 2 0 196.294 1.663 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C1(C)CCCC1 83609708 572349513 /nfs/dbraw/zinc/34/95/13/572349513.db2.gz QQXVEJYCEITBDI-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]Cc1ccc(C[NH3+])o1 87048786 572349564 /nfs/dbraw/zinc/34/95/64/572349564.db2.gz LGXBIIWKGMQUNM-OIBJUYFYSA-N 2 0 180.251 1.236 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H](C[NH3+])C(C)C 83608955 572349569 /nfs/dbraw/zinc/34/95/69/572349569.db2.gz PYFISDPFGRGWEM-QWRGUYRKSA-N 2 0 186.343 1.853 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)C[C@H]1C[C@@H]1C 83609414 572349579 /nfs/dbraw/zinc/34/95/79/572349579.db2.gz BULOWFHYMVUIMG-QJPTWQEYSA-N 2 0 198.354 1.805 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])o1 87048681 572349618 /nfs/dbraw/zinc/34/96/18/572349618.db2.gz HOAMNEPDPKRXTA-JTQLQIEISA-N 2 0 194.278 1.626 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H]1C 83608876 572349688 /nfs/dbraw/zinc/34/96/88/572349688.db2.gz IPXKYYPVAZWAGY-IVZWLZJFSA-N 2 0 170.300 1.359 10 0 ADAERP CC[N@H+](CC(C)C)C[C@@H](C)C[NH2+]C 52449522 572349751 /nfs/dbraw/zinc/34/97/51/572349751.db2.gz ILOMVDBEBGXLFA-NSHDSACASA-N 2 0 186.343 1.820 10 0 ADAERP C[N@@H+]1CC[C@H]2[NH2+]C(C)(C)CC[C@@H]2C1 251178150 572349766 /nfs/dbraw/zinc/34/97/66/572349766.db2.gz QGEHTOUWCMUMAZ-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 83609410 572349767 /nfs/dbraw/zinc/34/97/67/572349767.db2.gz AGCCNIHEVJFTKO-AXFHLTTASA-N 2 0 184.327 1.559 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C1CCC1 83608868 572349789 /nfs/dbraw/zinc/34/97/89/572349789.db2.gz UQLCWUCSQRHCMI-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H](C[NH2+]C2CCCC2)O1 87048356 572349796 /nfs/dbraw/zinc/34/97/96/572349796.db2.gz JCLOVVBUEZSIIW-MNOVXSKESA-N 2 0 198.310 1.025 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]C1CCC1 83608865 572349817 /nfs/dbraw/zinc/34/98/17/572349817.db2.gz NDDKIQDEYZCRKT-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC1(C)C 83608623 572349842 /nfs/dbraw/zinc/34/98/42/572349842.db2.gz HHFRADFYWYCCOF-ZJUUUORDSA-N 2 0 184.327 1.605 10 0 ADAERP CC[N@H+](C)[C@@H](C)CCC[NH3+] 52446170 572349893 /nfs/dbraw/zinc/34/98/93/572349893.db2.gz XLSHUGBGENVBBG-QMMMGPOBSA-N 2 0 144.262 1.066 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H](C[NH3+])C(C)C 83608953 572349950 /nfs/dbraw/zinc/34/99/50/572349950.db2.gz PYFISDPFGRGWEM-MNOVXSKESA-N 2 0 186.343 1.853 10 0 ADAERP [NH3+]Cc1ccc(C[NH2+]C2CCCC2)o1 87048367 572349978 /nfs/dbraw/zinc/34/99/78/572349978.db2.gz LYWDTAOIMLYRGG-UHFFFAOYSA-N 2 0 194.278 1.771 10 0 ADAERP CC[N@H+](C)[C@H](C)CCC[NH3+] 52446173 572350015 /nfs/dbraw/zinc/35/00/15/572350015.db2.gz XLSHUGBGENVBBG-MRVPVSSYSA-N 2 0 144.262 1.066 10 0 ADAERP CC[C@@H](C[NH3+])C[N@H+](CC)CC1CC1 83609424 572350044 /nfs/dbraw/zinc/35/00/44/572350044.db2.gz UCLWSGKYUWCHCS-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]CCC(F)(F)F 83609169 572350077 /nfs/dbraw/zinc/35/00/77/572350077.db2.gz ZMDCPQKKVDOUQL-ZETCQYMHSA-N 2 0 198.232 1.513 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]C[C@H](C)C(C)C 83609672 572350167 /nfs/dbraw/zinc/35/01/67/572350167.db2.gz IQHKBCZEMDBYGI-WDEREUQCSA-N 2 0 186.343 1.853 10 0 ADAERP [NH3+]Cc1ccc(C[NH2+]CC2CC2)o1 87048412 572350280 /nfs/dbraw/zinc/35/02/80/572350280.db2.gz YCXIRZORSYCEIX-UHFFFAOYSA-N 2 0 180.251 1.238 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H](C[NH3+])C(C)C 83608952 572350299 /nfs/dbraw/zinc/35/02/99/572350299.db2.gz PYFISDPFGRGWEM-WDEREUQCSA-N 2 0 186.343 1.853 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H]1C 83608891 572350307 /nfs/dbraw/zinc/35/03/07/572350307.db2.gz VMEASFVIBBMETQ-AEJSXWLSSA-N 2 0 170.300 1.215 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 83609417 572350413 /nfs/dbraw/zinc/35/04/13/572350413.db2.gz BULOWFHYMVUIMG-SDDRHHMPSA-N 2 0 198.354 1.805 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)CC1CCC1 83609004 572350459 /nfs/dbraw/zinc/35/04/59/572350459.db2.gz ZMOVZPBHMWRPTE-GFCCVEGCSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]1C 83608893 572350494 /nfs/dbraw/zinc/35/04/94/572350494.db2.gz VMEASFVIBBMETQ-OPRDCNLKSA-N 2 0 170.300 1.215 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]C[C@@H](C)CC 83608935 572350516 /nfs/dbraw/zinc/35/05/16/572350516.db2.gz REJFQABRZRKPBO-WDEREUQCSA-N 2 0 186.343 1.997 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[N@H+](C)CC1CCC1 83609002 572350683 /nfs/dbraw/zinc/35/06/83/572350683.db2.gz ZMOVZPBHMWRPTE-LBPRGKRZSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)C[NH2+]Cc1ccc(C[NH3+])o1 87048353 572350707 /nfs/dbraw/zinc/35/07/07/572350707.db2.gz PKZJMQYXLNKCGE-UHFFFAOYSA-N 2 0 182.267 1.484 10 0 ADAERP CC(C)(C)[NH2+]Cc1ccc(C[NH3+])o1 87048275 572350735 /nfs/dbraw/zinc/35/07/35/572350735.db2.gz ONVQZRJEGXEZMC-UHFFFAOYSA-N 2 0 182.267 1.626 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC1(C)C 83608621 572350819 /nfs/dbraw/zinc/35/08/19/572350819.db2.gz HHFRADFYWYCCOF-UWVGGRQHSA-N 2 0 184.327 1.605 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C[C@@H](C)C(C)C 83609666 572350830 /nfs/dbraw/zinc/35/08/30/572350830.db2.gz IQHKBCZEMDBYGI-MNOVXSKESA-N 2 0 186.343 1.853 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]Cc1ccsc1 83609208 572350886 /nfs/dbraw/zinc/35/08/86/572350886.db2.gz QYQMQPPULYXBNX-VIFPVBQESA-N 2 0 198.335 1.823 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+]C1CCC1 83608872 572350988 /nfs/dbraw/zinc/35/09/88/572350988.db2.gz KOYPGCPMZOURCU-SECBINFHSA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H]1C 83608896 572350958 /nfs/dbraw/zinc/35/09/58/572350958.db2.gz VMEASFVIBBMETQ-IVZWLZJFSA-N 2 0 170.300 1.215 10 0 ADAERP CC[N@@H+](C1CC1)[C@@H](C)CCC[NH2+]C 52452119 572350981 /nfs/dbraw/zinc/35/09/81/572350981.db2.gz PUTCYCXXBUUNJZ-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+](CC1CC1)C1CC1 83609651 572351250 /nfs/dbraw/zinc/35/12/50/572351250.db2.gz GMWUCMMLOANCCL-SNVBAGLBSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+][C@@H]1CC1(C)C 83608609 572351293 /nfs/dbraw/zinc/35/12/93/572351293.db2.gz OPDWABNGGDNOSY-DTWKUNHWSA-N 2 0 170.300 1.359 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@H](C[NH3+])C(C)C 83609432 572351355 /nfs/dbraw/zinc/35/13/55/572351355.db2.gz QUVLEJURCGLAQJ-LBPRGKRZSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[N@H+](CC)[C@@H](C)CCC[NH3+] 52448433 572351434 /nfs/dbraw/zinc/35/14/34/572351434.db2.gz UPRLQZSYJCPYQA-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H](C[NH2+]C2CCCC2)O1 87048362 572351507 /nfs/dbraw/zinc/35/15/07/572351507.db2.gz JCLOVVBUEZSIIW-QWRGUYRKSA-N 2 0 198.310 1.025 10 0 ADAERP CC(C)[NH2+]Cc1ccc(C[NH3+])o1 87048289 572351618 /nfs/dbraw/zinc/35/16/18/572351618.db2.gz YYEQAHFIRULQDK-UHFFFAOYSA-N 2 0 168.240 1.236 10 0 ADAERP CC[NH2+]CCCC[N@H+](C)CC(C)C 52452416 572351793 /nfs/dbraw/zinc/35/17/93/572351793.db2.gz BEMSQDPSIHRDOO-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP CC[C@H](C)C[NH2+]Cc1ccc(C[NH3+])o1 87048832 572351823 /nfs/dbraw/zinc/35/18/23/572351823.db2.gz JFTGOMUQGIBUIO-VIFPVBQESA-N 2 0 196.294 1.874 10 0 ADAERP [NH3+]Cc1ccc(C[NH2+]C2CCC2)o1 87048764 572351871 /nfs/dbraw/zinc/35/18/71/572351871.db2.gz XYRYANZUWOBFOJ-UHFFFAOYSA-N 2 0 180.251 1.380 10 0 ADAERP [NH3+]Cc1ccc(C[NH2+]CCC2CC2)o1 87049069 572352155 /nfs/dbraw/zinc/35/21/55/572352155.db2.gz TTWVLIDPJNICLF-UHFFFAOYSA-N 2 0 194.278 1.628 10 0 ADAERP CC[C@@H](C)C[NH2+]Cc1ccc(C[NH3+])o1 87048830 572352184 /nfs/dbraw/zinc/35/21/84/572352184.db2.gz JFTGOMUQGIBUIO-SECBINFHSA-N 2 0 196.294 1.874 10 0 ADAERP C[C@@H]1CC[N@H+](Cc2ccoc2C[NH3+])C1 52484440 572352581 /nfs/dbraw/zinc/35/25/81/572352581.db2.gz QKLAXDZHPOGGDU-SECBINFHSA-N 2 0 194.278 1.580 10 0 ADAERP COC[C@H](C)[N@H+](C)[C@@H](C)CCC[NH3+] 52511739 572352757 /nfs/dbraw/zinc/35/27/57/572352757.db2.gz VYSXISKHNIJINQ-UWVGGRQHSA-N 2 0 188.315 1.081 10 0 ADAERP CCC[NH2+]C[C@H](C)[C@H](C)C[NH3+] 238220087 572353772 /nfs/dbraw/zinc/35/37/72/572353772.db2.gz BWCSUVJTKDUSOV-BDAKNGLRSA-N 2 0 158.289 1.217 10 0 ADAERP [NH3+]CC(C[NH3+])c1cc2ccccc2[nH]1 140960058 572354351 /nfs/dbraw/zinc/35/43/51/572354351.db2.gz XWGCZYXJHMIVDY-UHFFFAOYSA-N 2 0 189.262 1.169 10 0 ADAERP CC(C)(C[NH3+])CC[NH+]1CCCC1 83636765 572354794 /nfs/dbraw/zinc/35/47/94/572354794.db2.gz ANHYLEOOLMDIEC-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP C[C@H]1CC[N@H+](Cc2cc(C[NH3+])co2)C1 52484533 572355938 /nfs/dbraw/zinc/35/59/38/572355938.db2.gz OYUHBPSIVXQWDW-VIFPVBQESA-N 2 0 194.278 1.580 10 0 ADAERP C[C@@H]1CC[N@H+](Cc2cc(C[NH3+])co2)C1 52484532 572354869 /nfs/dbraw/zinc/35/48/69/572354869.db2.gz OYUHBPSIVXQWDW-SECBINFHSA-N 2 0 194.278 1.580 10 0 ADAERP CC(C)[N@H+](C)CCC(C)(C)C[NH3+] 83636794 572355016 /nfs/dbraw/zinc/35/50/16/572355016.db2.gz BMDWLNPRLBFGPR-UHFFFAOYSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@@H]1CC[C@@H](CC[NH3+])C[N@@H+]1C 76592109 572361784 /nfs/dbraw/zinc/36/17/84/572361784.db2.gz HRAATOHFMWMIOP-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]([NH3+])CCC[NH+]1CCC(F)CC1 689450214 572355111 /nfs/dbraw/zinc/35/51/11/572355111.db2.gz CBSBAPPUKIZQMN-SECBINFHSA-N 2 0 188.290 1.548 10 0 ADAERP C[NH2+]CCCCC[N@H+](C)CC1CC1 52483659 572355134 /nfs/dbraw/zinc/35/51/34/572355134.db2.gz KVUQJJACJWVSDV-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[C@H]1CC[N@H+](Cc2ccoc2C[NH3+])C1 52484441 572355535 /nfs/dbraw/zinc/35/55/35/572355535.db2.gz QKLAXDZHPOGGDU-VIFPVBQESA-N 2 0 194.278 1.580 10 0 ADAERP C[NH2+]CCCCC[N@@H+]1CC[C@@H](C)C1 52484570 572355820 /nfs/dbraw/zinc/35/58/20/572355820.db2.gz PYXBKHLOZLDMOU-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP CC[NH+](CC)CCC(C)(C)C[NH3+] 83636768 572356028 /nfs/dbraw/zinc/35/60/28/572356028.db2.gz UBUHCGGHVJNMSL-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP CC[NH2+]CCC1([NH2+]C)CCCCC1 83632772 572356151 /nfs/dbraw/zinc/35/61/51/572356151.db2.gz KTPMJXOWMITDON-UHFFFAOYSA-N 2 0 184.327 1.908 10 0 ADAERP C[NH2+]CCC1([NH2+]C)CCCCC1 83632770 572356217 /nfs/dbraw/zinc/35/62/17/572356217.db2.gz HQPLODDOIBVNQG-UHFFFAOYSA-N 2 0 170.300 1.518 10 0 ADAERP C[N@H+](CCC(C)(C)C[NH3+])CC1CC1 83637016 572356314 /nfs/dbraw/zinc/35/63/14/572356314.db2.gz QHZORWYNZWDZIV-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[N@H+](C)CCC(C)(C)C[NH3+] 83636876 572356333 /nfs/dbraw/zinc/35/63/33/572356333.db2.gz CSKLRMSOLDAGSJ-UHFFFAOYSA-N 2 0 186.343 1.949 10 0 ADAERP C[N@H+](CCC(C)(C)C[NH3+])C1CC1 83636858 572356345 /nfs/dbraw/zinc/35/63/45/572356345.db2.gz PWSBXKNMCXPGOD-UHFFFAOYSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H]1CC[N@H+](CCC(C)(C)C[NH3+])C1 83637021 572356880 /nfs/dbraw/zinc/35/68/80/572356880.db2.gz GRZZWJJEUYHJLX-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]C1(CC[NH+](C)C)CCCCC1 83632730 572356912 /nfs/dbraw/zinc/35/69/12/572356912.db2.gz QSAVNKMZLDQYGR-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP C[C@H]1CC[N@H+](CCC(C)(C)C[NH3+])C1 83637023 572356949 /nfs/dbraw/zinc/35/69/49/572356949.db2.gz GRZZWJJEUYHJLX-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)(C[NH3+])CC[NH+]1CCCCC1 83636795 572357048 /nfs/dbraw/zinc/35/70/48/572357048.db2.gz XZDQZHISKGAISO-UHFFFAOYSA-N 2 0 184.327 1.847 10 0 ADAERP CC[N@H+](C)CCC(C)(C)C[NH3+] 83636855 572357273 /nfs/dbraw/zinc/35/72/73/572357273.db2.gz FDMCOYUPNVKKGU-UHFFFAOYSA-N 2 0 158.289 1.313 10 0 ADAERP NC(=[NH2+])SCCC[NH+]1CCCC1 83589478 572357406 /nfs/dbraw/zinc/35/74/06/572357406.db2.gz YXWCEXNZXGWUGU-UHFFFAOYSA-N 2 0 187.312 1.099 10 0 ADAERP Cc1cc(CNCC[NH3+])sc1C 83632809 572357432 /nfs/dbraw/zinc/35/74/32/572357432.db2.gz GPFVFSFRLSKDFE-UHFFFAOYSA-N 2 0 184.308 1.413 10 0 ADAERP Cc1cc(C[NH2+]CCC[NH3+])sc1C 83632854 572357598 /nfs/dbraw/zinc/35/75/98/572357598.db2.gz VWVNTWHEMAWOJI-UHFFFAOYSA-N 2 0 198.335 1.803 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CCC(C)(C)C[NH3+] 83637009 572357484 /nfs/dbraw/zinc/35/74/84/572357484.db2.gz DKKQVZBRXISNNM-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])CCC[NH+]1CCC(F)CC1 689450215 572357541 /nfs/dbraw/zinc/35/75/41/572357541.db2.gz CBSBAPPUKIZQMN-VIFPVBQESA-N 2 0 188.290 1.548 10 0 ADAERP CC[N@H+](CCC(C)(C)C[NH3+])C1CC1 83636856 572357545 /nfs/dbraw/zinc/35/75/45/572357545.db2.gz HSTRBBGGGAOEQV-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH+](C)C[C@H](CC[NH3+])c1ccc[nH]1 76580591 572358118 /nfs/dbraw/zinc/35/81/18/572358118.db2.gz VXFKGMJXAFWXGB-VIFPVBQESA-N 2 0 181.283 1.009 10 0 ADAERP C[NH+](C)C[C@@H](CC[NH3+])c1cc[nH]c1 76580594 572358254 /nfs/dbraw/zinc/35/82/54/572358254.db2.gz XJHBOKANXQRQOH-SNVBAGLBSA-N 2 0 181.283 1.009 10 0 ADAERP C[NH+](C)C[C@@H](CC[NH3+])c1ccc[nH]1 76580590 572358663 /nfs/dbraw/zinc/35/86/63/572358663.db2.gz VXFKGMJXAFWXGB-SECBINFHSA-N 2 0 181.283 1.009 10 0 ADAERP C[C@H]1C[C@H]1C[N@H+](C)CCC(C)(C)C[NH3+] 83637343 572359420 /nfs/dbraw/zinc/35/94/20/572359420.db2.gz COLSXLPGQSIUDE-QWRGUYRKSA-N 2 0 198.354 1.949 10 0 ADAERP Cc1ccc([C@@H](N)[C@H]([NH3+])C(C)C)cc1 44138932 572359471 /nfs/dbraw/zinc/35/94/71/572359471.db2.gz HKNVQPREIFKWSJ-VXGBXAGGSA-N 2 0 192.306 1.978 10 0 ADAERP C[NH+](C)C[C@H](CC[NH3+])c1cc[nH]c1 76580597 572359752 /nfs/dbraw/zinc/35/97/52/572359752.db2.gz XJHBOKANXQRQOH-JTQLQIEISA-N 2 0 181.283 1.009 10 0 ADAERP CSCC[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H]1C 307998537 572360278 /nfs/dbraw/zinc/36/02/78/572360278.db2.gz DXSSUZFPHXGMBB-YIZRAAEISA-N 2 0 188.340 1.065 10 0 ADAERP C[C@@H]1C[C@H]1C[N@H+](C)CCC(C)(C)C[NH3+] 83637342 572360279 /nfs/dbraw/zinc/36/02/79/572360279.db2.gz COLSXLPGQSIUDE-MNOVXSKESA-N 2 0 198.354 1.949 10 0 ADAERP CSCC[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1C 307998535 572360485 /nfs/dbraw/zinc/36/04/85/572360485.db2.gz DXSSUZFPHXGMBB-VGMNWLOBSA-N 2 0 188.340 1.065 10 0 ADAERP C[C@H]1C[C@@H]1C[N@H+](C)CCC(C)(C)C[NH3+] 83637338 572360530 /nfs/dbraw/zinc/36/05/30/572360530.db2.gz COLSXLPGQSIUDE-WDEREUQCSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]C[C@@H]([NH3+])CC1CC1 307996726 572360656 /nfs/dbraw/zinc/36/06/56/572360656.db2.gz CNQFZEOPSAYWBZ-UJNFCWOMSA-N 2 0 168.284 1.112 10 0 ADAERP C[NH2+][C@@]1(C)CC[N@H+](C)[C@H](C)C1 76592001 572361357 /nfs/dbraw/zinc/36/13/57/572361357.db2.gz FYCXTMREAZMLOW-BDAKNGLRSA-N 2 0 156.273 1.079 10 0 ADAERP C[NH2+][C@@]1(C)CC[N@H+](C)[C@@H](C)C1 76592004 572360888 /nfs/dbraw/zinc/36/08/88/572360888.db2.gz FYCXTMREAZMLOW-IUCAKERBSA-N 2 0 156.273 1.079 10 0 ADAERP CC[C@@]1([NH3+])CCCC[N@H+](C)C1 76592070 572361421 /nfs/dbraw/zinc/36/14/21/572361421.db2.gz LKTXIQUJPOFQFG-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP C[C@@H]1[C@H](CC[NH3+])CCC[N@@H+]1C 76592114 572361202 /nfs/dbraw/zinc/36/12/02/572361202.db2.gz IMMOWRLTQGRAES-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CSCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H]1C 307998536 572361425 /nfs/dbraw/zinc/36/14/25/572361425.db2.gz DXSSUZFPHXGMBB-XHNCKOQMSA-N 2 0 188.340 1.065 10 0 ADAERP C[NH2+][C@@]1(C)CCC[N@H+](C)CC1 76591994 572361229 /nfs/dbraw/zinc/36/12/29/572361229.db2.gz YWGJIIKNVZBPOJ-VIFPVBQESA-N 2 0 156.273 1.080 10 0 ADAERP C[C@H]1CC[C@@H](CC[NH3+])C[N@@H+]1C 76592111 572361410 /nfs/dbraw/zinc/36/14/10/572361410.db2.gz HRAATOHFMWMIOP-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]1CSC[C@H]1[N@H+](C)CCC[NH3+] 307997637 572362332 /nfs/dbraw/zinc/36/23/32/572362332.db2.gz DCONKGRWIHZSSD-RKDXNWHRSA-N 2 0 188.340 1.019 10 0 ADAERP C[C@H]1[C@@H](CC[NH3+])CCC[N@@H+]1C 76592123 572361514 /nfs/dbraw/zinc/36/15/14/572361514.db2.gz IMMOWRLTQGRAES-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]1CSC[C@@H]1[N@H+](C)CCC[NH3+] 307997623 572361552 /nfs/dbraw/zinc/36/15/52/572361552.db2.gz DCONKGRWIHZSSD-BDAKNGLRSA-N 2 0 188.340 1.019 10 0 ADAERP C[C@H]1CSC[C@@H]1[N@H+](C)CCC[NH3+] 307997633 572361575 /nfs/dbraw/zinc/36/15/75/572361575.db2.gz DCONKGRWIHZSSD-IUCAKERBSA-N 2 0 188.340 1.019 10 0 ADAERP CSCC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H]1C 307998533 572361597 /nfs/dbraw/zinc/36/15/97/572361597.db2.gz DXSSUZFPHXGMBB-HRDYMLBCSA-N 2 0 188.340 1.065 10 0 ADAERP C[NH2+][C@]1(C)CCC[N@H+](C)CC1 76591997 572361657 /nfs/dbraw/zinc/36/16/57/572361657.db2.gz YWGJIIKNVZBPOJ-SECBINFHSA-N 2 0 156.273 1.080 10 0 ADAERP CSCC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H]1C 307998130 572361799 /nfs/dbraw/zinc/36/17/99/572361799.db2.gz DXSSUZFPHXGMBB-CIUDSAMLSA-N 2 0 188.340 1.065 10 0 ADAERP C[C@H]1CC[N@H+](C)C[C@@](C)([NH3+])C1 76592087 572361826 /nfs/dbraw/zinc/36/18/26/572361826.db2.gz GMLAVKPPXOSAAC-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP CSCC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@@H]1C 307998531 572361840 /nfs/dbraw/zinc/36/18/40/572361840.db2.gz DXSSUZFPHXGMBB-DJLDLDEBSA-N 2 0 188.340 1.065 10 0 ADAERP C[C@H]1CSC[C@H]1[N@H+](C)CCC[NH3+] 307997629 572362071 /nfs/dbraw/zinc/36/20/71/572362071.db2.gz DCONKGRWIHZSSD-DTWKUNHWSA-N 2 0 188.340 1.019 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])CC1CC1 307996725 572362130 /nfs/dbraw/zinc/36/21/30/572362130.db2.gz CNQFZEOPSAYWBZ-HGNGGELXSA-N 2 0 168.284 1.112 10 0 ADAERP [NH3+][C@@H]1CCC2CC[C@@H]([NH3+])CC2C1 141029725 572362184 /nfs/dbraw/zinc/36/21/84/572362184.db2.gz FSKNFPIVERKYPP-YDYPAMBWSA-N 2 0 168.284 1.241 10 0 ADAERP CCCC[N@@H+]1CCC[C@@](F)(C[NH3+])C1 238220661 572362272 /nfs/dbraw/zinc/36/22/72/572362272.db2.gz LVRBIPLREUGOSB-SNVBAGLBSA-N 2 0 188.290 1.549 10 0 ADAERP C[N@@H+]1CCCC[C@H]([NH3+])CCC1 76592125 572362308 /nfs/dbraw/zinc/36/23/08/572362308.db2.gz RGGKMLFTEOZQIN-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP C[C@@H]1[C@@H](CC[NH3+])CCC[N@@H+]1C 76592120 572362314 /nfs/dbraw/zinc/36/23/14/572362314.db2.gz IMMOWRLTQGRAES-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[N@H+](CCC(C)(C)C(N)=[NH2+])CC1CC1 83639546 572362436 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184.327 1.847 10 0 ADAERP CC[N@H+](C)CCCC(C)(C)C[NH3+] 83640765 572362849 /nfs/dbraw/zinc/36/28/49/572362849.db2.gz NVFSZTLIYLSXKP-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP CSCC[C@@H]([NH3+])C[NH2+][C@H]1C[C@H]1C 307998532 572362934 /nfs/dbraw/zinc/36/29/34/572362934.db2.gz DXSSUZFPHXGMBB-HLTSFMKQSA-N 2 0 188.340 1.065 10 0 ADAERP CC(C)C[N@H+](C)CCC(C)(C)C(N)=[NH2+] 83639492 572363028 /nfs/dbraw/zinc/36/30/28/572363028.db2.gz XVAPOWPIXJZPBE-UHFFFAOYSA-N 2 0 199.342 1.926 10 0 ADAERP [NH3+][C@H]1CCC2CC[C@H]([NH3+])CC2C1 141030094 572363060 /nfs/dbraw/zinc/36/30/60/572363060.db2.gz FSKNFPIVERKYPP-QLEHZGMVSA-N 2 0 168.284 1.241 10 0 ADAERP CC(C)[N@H+](C)CCC(C)(C)C(N)=[NH2+] 83639463 572363112 /nfs/dbraw/zinc/36/31/12/572363112.db2.gz BQULECMSBDTKGC-UHFFFAOYSA-N 2 0 185.315 1.679 10 0 ADAERP C[C@H]1[C@H](CC[NH3+])CCC[N@@H+]1C 76592117 572363217 /nfs/dbraw/zinc/36/32/17/572363217.db2.gz IMMOWRLTQGRAES-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H]1CC[N@H+](CCC(C)(C)C(N)=[NH2+])C1 83639550 572363281 /nfs/dbraw/zinc/36/32/81/572363281.db2.gz FUSQTTNXCZXROW-VIFPVBQESA-N 2 0 197.326 1.680 10 0 ADAERP CC[N@H+](CCC(C)(C)C(N)=[NH2+])C1CC1 83639481 572363354 /nfs/dbraw/zinc/36/33/54/572363354.db2.gz JCSIQFRUIDOTDX-UHFFFAOYSA-N 2 0 197.326 1.823 10 0 ADAERP C[N@H+](CCCC(C)(C)C[NH3+])C1CC1 83640769 572363395 /nfs/dbraw/zinc/36/33/95/572363395.db2.gz RNAAIAHWEZXKEK-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)(CC[NH+]1CCCCC1)C(N)=[NH2+] 83639470 572363600 /nfs/dbraw/zinc/36/36/00/572363600.db2.gz BQIDNDXPHQDCEZ-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP C[C@H]1CCC[N@@H+]1CCC(C)(C)C(N)=[NH2+] 83639543 572363628 /nfs/dbraw/zinc/36/36/28/572363628.db2.gz QJEWSZDUDBZCIT-VIFPVBQESA-N 2 0 197.326 1.823 10 0 ADAERP CC[NH+](C)C/C=C/C[N@@H+](C)CC 307999234 572363677 /nfs/dbraw/zinc/36/36/77/572363677.db2.gz YHJCDGSXTVCOJW-BQYQJAHWSA-N 2 0 170.300 1.446 10 0 ADAERP CC[NH+](CC)CCC(C)(C)C(N)=[NH2+] 83639443 572363723 /nfs/dbraw/zinc/36/37/23/572363723.db2.gz 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1.494 10 0 ADAERP CCS[C@@H]1CC[C@H]([NH2+]CCN)C1 307994231 572370473 /nfs/dbraw/zinc/37/04/73/572370473.db2.gz AIHVUNKBEZWQAS-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH2+]CCCF 307995192 572370505 /nfs/dbraw/zinc/37/05/05/572370505.db2.gz BDYDSRGOCVHOBL-VIFPVBQESA-N 2 0 176.279 1.311 10 0 ADAERP CC(C)(CC[NH3+])C[NH2+]CC1CC1 307994740 572370701 /nfs/dbraw/zinc/37/07/01/572370701.db2.gz ATGCQKJXWAZGCI-UHFFFAOYSA-N 2 0 170.300 1.361 10 0 ADAERP C[NH+](C)CCCC(C)(C)CC[NH3+] 83683812 572376701 /nfs/dbraw/zinc/37/67/01/572376701.db2.gz CHSMGAPVHWESFY-UHFFFAOYSA-N 2 0 172.316 1.703 10 0 ADAERP CCS[C@H]1CC[C@@H]([NH2+]CCN)C1 307994225 572371071 /nfs/dbraw/zinc/37/10/71/572371071.db2.gz AIHVUNKBEZWQAS-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP C[N@@H+]1CCC[C@@]2(C1)[C@H](N)C2(C)C 76597056 572371352 /nfs/dbraw/zinc/37/13/52/572371352.db2.gz ASCDELDXAMBNNC-PSASIEDQSA-N 2 0 168.284 1.066 10 0 ADAERP CN1CCC[C@@H]2[NH2+]C(C)(C)C[C@@H]21 76596878 572371543 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168.284 1.067 10 0 ADAERP [NH3+]CC[C@@H]1CC2CC[NH+](CC2)C1 76596840 572373111 /nfs/dbraw/zinc/37/31/11/572373111.db2.gz DKVXNZYWHFRIGG-SNVBAGLBSA-N 2 0 168.284 1.067 10 0 ADAERP C[C@@H]1[C@@H]2C[C@H]([NH3+])C[C@@H]2CC[N@@H+]1C 76596976 572373271 /nfs/dbraw/zinc/37/32/71/572373271.db2.gz HGNKZULSXHOFRW-RGOKHQFPSA-N 2 0 168.284 1.064 10 0 ADAERP C[NH+]1CCC2(CC1)[C@@H]([NH3+])C2(C)C 76597059 572373280 /nfs/dbraw/zinc/37/32/80/572373280.db2.gz MQRFHWMPVHAUGS-QMMMGPOBSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1CC[C@H]2CC[NH2+]C[C@@H]2N1C 76597034 572373287 /nfs/dbraw/zinc/37/32/87/572373287.db2.gz GXDPBMDCRDPRTD-UTLUCORTSA-N 2 0 168.284 1.079 10 0 ADAERP C[N@@H+]1CCC[C@]2(C1)[C@H](N)C2(C)C 76597052 572373372 /nfs/dbraw/zinc/37/33/72/572373372.db2.gz ASCDELDXAMBNNC-SCZZXKLOSA-N 2 0 168.284 1.066 10 0 ADAERP CN1CC[C@@]2(CCC(C)(C)[NH2+]2)C1 76597011 572373449 /nfs/dbraw/zinc/37/34/49/572373449.db2.gz ZXQVWANINKYJRM-JTQLQIEISA-N 2 0 168.284 1.223 10 0 ADAERP C[C@@H]1C[C@@H]2[C@H](CCCCN2C)[NH2+]1 76596888 572373472 /nfs/dbraw/zinc/37/34/72/572373472.db2.gz WLJHRQYPFRWPEE-KXUCPTDWSA-N 2 0 168.284 1.221 10 0 ADAERP C[C@@H]1CC[C@H]2CCN(C)C[C@@H]2[NH2+]1 76597042 572373543 /nfs/dbraw/zinc/37/35/43/572373543.db2.gz HOAMRFLXFOGQMT-UTLUCORTSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@@H]1CC[C@@H]2CC[NH2+]C[C@@H]2N1C 76597030 572373619 /nfs/dbraw/zinc/37/36/19/572373619.db2.gz GXDPBMDCRDPRTD-BBBLOLIVSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)[NH2+]CCCC[NH+]1CCC1 308002764 572373808 /nfs/dbraw/zinc/37/38/08/572373808.db2.gz BQXUUFSIOSIPRI-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP CN1CCC[C@H]2[NH2+]C(C)(C)C[C@H]21 76596881 572373852 /nfs/dbraw/zinc/37/38/52/572373852.db2.gz CVYKPOSBBZKTSJ-RKDXNWHRSA-N 2 0 168.284 1.221 10 0 ADAERP CCC[C@@H]([NH2+]CCC[NH3+])C1CC1 307996716 572373864 /nfs/dbraw/zinc/37/38/64/572373864.db2.gz CLXAMYMKOYHBGS-SNVBAGLBSA-N 2 0 170.300 1.504 10 0 ADAERP CC[N@@H+]1CC[C@H](C[C@H](C)[NH2+]C)C1 250317403 572373873 /nfs/dbraw/zinc/37/38/73/572373873.db2.gz MQLYVPSCLGQQNS-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP C[N@@H+]1CCC[C@]2(C1)[C@@H](N)C2(C)C 76597049 572373972 /nfs/dbraw/zinc/37/39/72/572373972.db2.gz ASCDELDXAMBNNC-WPRPVWTQSA-N 2 0 168.284 1.066 10 0 ADAERP CN1C[C@@H]2CCC(C)(C)[NH2+][C@H]2C1 76597047 572374064 /nfs/dbraw/zinc/37/40/64/572374064.db2.gz XOQCHIYASVNIMZ-IUCAKERBSA-N 2 0 168.284 1.079 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]21 76596949 572374104 /nfs/dbraw/zinc/37/41/04/572374104.db2.gz XFIVEHIVTCHBMA-BBBLOLIVSA-N 2 0 168.284 1.066 10 0 ADAERP CN1CC[C@]2(CCC(C)(C)[NH2+]2)C1 76597008 572374284 /nfs/dbraw/zinc/37/42/84/572374284.db2.gz ZXQVWANINKYJRM-SNVBAGLBSA-N 2 0 168.284 1.223 10 0 ADAERP CN1C[C@H]2CCC(C)(C)[NH2+][C@H]2C1 76597045 572374400 /nfs/dbraw/zinc/37/44/00/572374400.db2.gz XOQCHIYASVNIMZ-BDAKNGLRSA-N 2 0 168.284 1.079 10 0 ADAERP CN1CC[C@H]2[NH2+]CCC(C)(C)[C@H]21 76596935 572374426 /nfs/dbraw/zinc/37/44/26/572374426.db2.gz MMVMBWGUUXDTGG-BDAKNGLRSA-N 2 0 168.284 1.079 10 0 ADAERP 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ZASXIFSMHPMBRJ-SNVBAGLBSA-N 2 0 168.284 1.210 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 76596959 572375079 /nfs/dbraw/zinc/37/50/79/572375079.db2.gz RJTCEFBHMOIAJA-BBBLOLIVSA-N 2 0 168.284 1.066 10 0 ADAERP CN1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 76596937 572375331 /nfs/dbraw/zinc/37/53/31/572375331.db2.gz MMVMBWGUUXDTGG-DTWKUNHWSA-N 2 0 168.284 1.079 10 0 ADAERP CCc1cc(C[NH3+])ccc1C[NH3+] 44249264 572375493 /nfs/dbraw/zinc/37/54/93/572375493.db2.gz JOEFUMXQIAIBOC-UHFFFAOYSA-N 2 0 164.252 1.166 10 0 ADAERP Cc1c(C[NH3+])sc(C[NH3+])c1C 44236505 572375547 /nfs/dbraw/zinc/37/55/47/572375547.db2.gz CEEOGJIFUSVWJM-UHFFFAOYSA-N 2 0 170.281 1.282 10 0 ADAERP CC(C)(CC[NH3+])C[NH2+]CC(F)F 307996566 572375620 /nfs/dbraw/zinc/37/56/20/572375620.db2.gz CHMMNBUSPVEMFO-UHFFFAOYSA-N 2 0 180.242 1.216 10 0 ADAERP CC[NH2+]C[C@@H](C)CCC[C@@H](C)[NH3+] 83683984 572375754 /nfs/dbraw/zinc/37/57/54/572375754.db2.gz JWNCCZVQLZPAKU-VHSXEESVSA-N 2 0 172.316 1.750 10 0 ADAERP 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174.263 1.063 10 0 ADAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH+](C)C 83683816 572377290 /nfs/dbraw/zinc/37/72/90/572377290.db2.gz BFHOXFCUKIBNFC-ZJUUUORDSA-N 2 0 172.316 1.702 10 0 ADAERP C[NH2+]C[C@@H](C)CCC[C@@H](C)[NH3+] 83683979 572377296 /nfs/dbraw/zinc/37/72/96/572377296.db2.gz AAFKRXYBWXXFBV-DTWKUNHWSA-N 2 0 158.289 1.359 10 0 ADAERP C[NH2+]CCCC(C)(C)CC[NH3+] 83683978 572377301 /nfs/dbraw/zinc/37/73/01/572377301.db2.gz SAXNJRYJISJGSU-UHFFFAOYSA-N 2 0 158.289 1.361 10 0 ADAERP [NH3+]C/C=C/C[NH2+]CCC(F)(F)F 308003942 572377457 /nfs/dbraw/zinc/37/74/57/572377457.db2.gz KAUAPDITOSDLJL-OWOJBTEDSA-N 2 0 182.189 1.043 10 0 ADAERP [NH3+][C@@H]1CC[C@H](C[NH2+]CCCF)C1 308003286 572377555 /nfs/dbraw/zinc/37/75/55/572377555.db2.gz JGPNFRPOZFFLGJ-DTWKUNHWSA-N 2 0 174.263 1.063 10 0 ADAERP C[NH2+]C[C@H](C)CCC[C@@H](C)[NH3+] 83683980 572377646 /nfs/dbraw/zinc/37/76/46/572377646.db2.gz AAFKRXYBWXXFBV-RKDXNWHRSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H]([NH3+])CCC[C@H](C)C[NH+](C)C 83683815 572378229 /nfs/dbraw/zinc/37/82/29/572378229.db2.gz BFHOXFCUKIBNFC-UWVGGRQHSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH2+]C1CC1 83683967 572378424 /nfs/dbraw/zinc/37/84/24/572378424.db2.gz ZKIKHVXCVYHKAI-ZJUUUORDSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]([NH3+])CCC[C@H](C)C[NH2+]C1CC1 83683966 572378576 /nfs/dbraw/zinc/37/85/76/572378576.db2.gz ZKIKHVXCVYHKAI-UWVGGRQHSA-N 2 0 184.327 1.892 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH2+]CCCF)C1 308003285 572378644 /nfs/dbraw/zinc/37/86/44/572378644.db2.gz JGPNFRPOZFFLGJ-BDAKNGLRSA-N 2 0 174.263 1.063 10 0 ADAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH2+]C1CC1 83683965 572378688 /nfs/dbraw/zinc/37/86/88/572378688.db2.gz ZKIKHVXCVYHKAI-NXEZZACHSA-N 2 0 184.327 1.892 10 0 ADAERP [NH3+]C/C=C\C[NH2+]CCC(F)(F)F 308003943 572378884 /nfs/dbraw/zinc/37/88/84/572378884.db2.gz KAUAPDITOSDLJL-UPHRSURJSA-N 2 0 182.189 1.043 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH2+]CCCF)C1 308003287 572378903 /nfs/dbraw/zinc/37/89/03/572378903.db2.gz JGPNFRPOZFFLGJ-IUCAKERBSA-N 2 0 174.263 1.063 10 0 ADAERP C[C@@H]1CC[C@H](CCC[NH3+])C[N@@H+]1C 76598391 572379544 /nfs/dbraw/zinc/37/95/44/572379544.db2.gz HFFSHBCKSMKJFP-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@H]1CCCN(C)C[C@@H]1[NH3+] 76598341 572379602 /nfs/dbraw/zinc/37/96/02/572379602.db2.gz JWBZMQGEKMSRIC-ZJUUUORDSA-N 2 0 170.300 1.312 10 0 ADAERP C[NH+](C)CC[C@@H]1[C@@H](C[NH3+])C1(C)C 76598283 572379139 /nfs/dbraw/zinc/37/91/39/572379139.db2.gz LMGMVJFLWQVPEC-RKDXNWHRSA-N 2 0 170.300 1.169 10 0 ADAERP C[C@@H]1CC[C@H](CC[NH3+])[N@H+](C)CC1 76598375 572379188 /nfs/dbraw/zinc/37/91/88/572379188.db2.gz CVRGEVOJVQACGW-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP C[N@@H+]1CCCCC[C@@H]([NH3+])CCC1 76598278 572379257 /nfs/dbraw/zinc/37/92/57/572379257.db2.gz OKPZWIFIZQJSLH-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP C[C@H](CCC[NH3+])C[NH2+]CCCF 308005097 572379287 /nfs/dbraw/zinc/37/92/87/572379287.db2.gz KQAJBDZWOLMCDO-SECBINFHSA-N 2 0 176.279 1.311 10 0 ADAERP CC[C@]1([NH3+])C[C@@H](C)CC[N@H+](C)C1 76598365 572379357 /nfs/dbraw/zinc/37/93/57/572379357.db2.gz MFHJQOPHISQOMB-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@@H]1CCCN(C)C[C@@H]1[NH3+] 76598340 572379425 /nfs/dbraw/zinc/37/94/25/572379425.db2.gz JWBZMQGEKMSRIC-UWVGGRQHSA-N 2 0 170.300 1.312 10 0 ADAERP c1cc([C@@H]2CC[NH2+]2)sc1[C@@H]1CC[NH2+]1 44257497 572379433 /nfs/dbraw/zinc/37/94/33/572379433.db2.gz SFGXVEAWXDNJOE-YUMQZZPRSA-N 2 0 194.303 1.817 10 0 ADAERP C[N@@H+]1CCC(C)(C)C[C@@](C)([NH3+])C1 76598370 572379494 /nfs/dbraw/zinc/37/94/94/572379494.db2.gz ICYKADRHMFFXBS-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[N@H+](CC)CCC[NH3+] 87156876 572379519 /nfs/dbraw/zinc/37/95/19/572379519.db2.gz UHWIYLIMZSLQCB-UHFFFAOYSA-N 2 0 172.316 1.846 10 0 ADAERP CC[C@@]1([NH3+])C[C@@H](C)CC[N@H+](C)C1 76598366 572379770 /nfs/dbraw/zinc/37/97/70/572379770.db2.gz MFHJQOPHISQOMB-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+]C[C@H]1CCC[NH2+]1 87156874 572379771 /nfs/dbraw/zinc/37/97/71/572379771.db2.gz AFXWWJFHGIPXKK-SNVBAGLBSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)[NH2+][C@H]1CCCCN(C)C1 76598301 572380141 /nfs/dbraw/zinc/38/01/41/572380141.db2.gz PKFMEEXUAPEQCD-JTQLQIEISA-N 2 0 170.300 1.469 10 0 ADAERP CCC(CC)[NH2+]CCC[NH2+]C1CC1 87156830 572379834 /nfs/dbraw/zinc/37/98/34/572379834.db2.gz VUOLTDPRIQOMHQ-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP C[N@@H+]1CCCCC[C@H]([NH3+])CCC1 76598276 572379958 /nfs/dbraw/zinc/37/99/58/572379958.db2.gz OKPZWIFIZQJSLH-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP C[C@@H](CCC[NH3+])C[NH2+]CCCF 308005100 572379970 /nfs/dbraw/zinc/37/99/70/572379970.db2.gz KQAJBDZWOLMCDO-VIFPVBQESA-N 2 0 176.279 1.311 10 0 ADAERP C[C@@H]1CC[C@@H](CC[NH3+])[N@H+](C)CC1 76598379 572380001 /nfs/dbraw/zinc/38/00/01/572380001.db2.gz CVRGEVOJVQACGW-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)CC[C@@]1(C[NH3+])CC1(C)C 76598286 572380019 /nfs/dbraw/zinc/38/00/19/572380019.db2.gz RITNGNULUXFBMI-JTQLQIEISA-N 2 0 170.300 1.313 10 0 ADAERP CCC(CC)[NH2+]C[C@H]([NH3+])C(C)C 87156976 572380094 /nfs/dbraw/zinc/38/00/94/572380094.db2.gz XBAXCGQZYASFJH-JTQLQIEISA-N 2 0 172.316 1.748 10 0 ADAERP CCC(CC)[NH2+]C[C@@H]([NH3+])C(C)C 87156978 572380118 /nfs/dbraw/zinc/38/01/18/572380118.db2.gz XBAXCGQZYASFJH-SNVBAGLBSA-N 2 0 172.316 1.748 10 0 ADAERP C[C@H]1CC[N@H+](C)C[C@H](CC[NH3+])C1 76598349 572380158 /nfs/dbraw/zinc/38/01/58/572380158.db2.gz MWJHYFYNMVLMAI-VHSXEESVSA-N 2 0 170.300 1.313 10 0 ADAERP CCC(CC)[NH2+][C@@H](CC)CC[NH3+] 87155924 572380171 /nfs/dbraw/zinc/38/01/71/572380171.db2.gz HZTFNYONUYDBRN-JTQLQIEISA-N 2 0 172.316 1.892 10 0 ADAERP C[C@@H]1CC[N@H+](C)CC[C@@H]1CC[NH3+] 76598372 572380183 /nfs/dbraw/zinc/38/01/83/572380183.db2.gz LPMAFBQQGAUDDR-ZJUUUORDSA-N 2 0 170.300 1.313 10 0 ADAERP CCNC1=[NH+]C/C(=C/C[NH+](C)C)S1 308004838 572380214 /nfs/dbraw/zinc/38/02/14/572380214.db2.gz BAHAWVRMGQXXIK-YVMONPNESA-N 2 0 199.323 1.144 10 0 ADAERP CC[C@H](C)[C@@H]1CCN(C)C[C@@H]1[NH3+] 76598322 572380243 /nfs/dbraw/zinc/38/02/43/572380243.db2.gz ORWWPMWDBHLCCU-GUBZILKMSA-N 2 0 170.300 1.312 10 0 ADAERP c1cc([C@H]2CC[NH2+]2)sc1[C@@H]1CC[NH2+]1 44257501 572380333 /nfs/dbraw/zinc/38/03/33/572380333.db2.gz SFGXVEAWXDNJOE-OCAPTIKFSA-N 2 0 194.303 1.817 10 0 ADAERP CC[C@H](C)[C@H]1C[N@H+](C)CC[C@@H]1[NH3+] 76598334 572380353 /nfs/dbraw/zinc/38/03/53/572380353.db2.gz FNMDSFPZEQBYCU-AEJSXWLSSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H]1CC[C@H](CCC[NH3+])C[N@@H+]1C 76598392 572380367 /nfs/dbraw/zinc/38/03/67/572380367.db2.gz HFFSHBCKSMKJFP-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+]CCC[NH2+]C 87156816 572380412 /nfs/dbraw/zinc/38/04/12/572380412.db2.gz SMVZIUYFEGHSOB-UHFFFAOYSA-N 2 0 158.289 1.374 10 0 ADAERP C[N@@H+]1CCCC[C@@H](CCC[NH3+])C1 76598389 572380435 /nfs/dbraw/zinc/38/04/35/572380435.db2.gz KFQLBNFVRUNVNU-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP CCC(CC)[N@H+](CCC(N)=[NH2+])C1CC1 87157559 572380446 /nfs/dbraw/zinc/38/04/46/572380446.db2.gz ASJQURVRBQSGDC-UHFFFAOYSA-N 2 0 197.326 1.965 10 0 ADAERP CCC[C@H]1CCCN(C)C[C@@H]1[NH3+] 76598345 572380455 /nfs/dbraw/zinc/38/04/55/572380455.db2.gz WVPHRTDFKAJJSY-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@H]1[C@H](CCC[NH3+])CCC[N@@H+]1C 76598399 572380531 /nfs/dbraw/zinc/38/05/31/572380531.db2.gz MFYHPBXGVYMVDL-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CSCC[C@H]([NH3+])C[NH2+]C(C)(C)C 308005229 572380584 /nfs/dbraw/zinc/38/05/84/572380584.db2.gz KXBLGZSEOAWPGA-QMMMGPOBSA-N 2 0 190.356 1.455 10 0 ADAERP CCC[C@@H]1CCCN(C)C[C@@H]1[NH3+] 76598343 572380622 /nfs/dbraw/zinc/38/06/22/572380622.db2.gz WVPHRTDFKAJJSY-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+]C[C@H]1CCC[NH2+]C1 87156859 572380645 /nfs/dbraw/zinc/38/06/45/572380645.db2.gz JJUABIJUQPDQOG-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)N(C)Cc1ccc[nH+]c1NN 52723722 572380681 /nfs/dbraw/zinc/38/06/81/572380681.db2.gz CWJUEVIQNATOAF-UHFFFAOYSA-N 2 0 194.282 1.207 10 0 ADAERP CCC(CC)[N@H+](CC)CCC(N)=[NH2+] 87157556 572380720 /nfs/dbraw/zinc/38/07/20/572380720.db2.gz OBIRSVNOZIHJAN-UHFFFAOYSA-N 2 0 185.315 1.823 10 0 ADAERP CCC(CC)[NH2+]CC[C@@H]1CC[NH2+]C1 87156934 572380789 /nfs/dbraw/zinc/38/07/89/572380789.db2.gz UPDMBJRMJPJIIZ-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP CCC(CC)[NH2+]CC[C@H](C)[NH3+] 87156898 572380797 /nfs/dbraw/zinc/38/07/97/572380797.db2.gz KIRVLHCJIQFLMR-QMMMGPOBSA-N 2 0 158.289 1.502 10 0 ADAERP C[NH2+][C@@H]1CN(C)CCC(C)(C)C1 76598353 572380847 /nfs/dbraw/zinc/38/08/47/572380847.db2.gz XWRVDYZBMGRYAI-VIFPVBQESA-N 2 0 170.300 1.326 10 0 ADAERP CCC(CC)[NH2+]C[C@H](C)C[NH3+] 87155920 572380908 /nfs/dbraw/zinc/38/09/08/572380908.db2.gz OPCIDTLKWPLBNH-MRVPVSSYSA-N 2 0 158.289 1.359 10 0 ADAERP CC[NH2+][C@@H](C)CC[NH2+]CCCF 308000830 572380917 /nfs/dbraw/zinc/38/09/17/572380917.db2.gz HHFNKXISAAVGTR-VIFPVBQESA-N 2 0 176.279 1.324 10 0 ADAERP CSCC[C@@H]([NH3+])C[NH2+]C(C)(C)C 308005226 572380936 /nfs/dbraw/zinc/38/09/36/572380936.db2.gz KXBLGZSEOAWPGA-MRVPVSSYSA-N 2 0 190.356 1.455 10 0 ADAERP C[NH2+][C@H]1CN(C)CCC(C)(C)C1 76598352 572380973 /nfs/dbraw/zinc/38/09/73/572380973.db2.gz XWRVDYZBMGRYAI-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH+](C)CC[C@H]1[C@H](C[NH3+])C1(C)C 76598281 572381030 /nfs/dbraw/zinc/38/10/30/572381030.db2.gz LMGMVJFLWQVPEC-IUCAKERBSA-N 2 0 170.300 1.169 10 0 ADAERP CCC(CC)[NH2+]CCCCC[NH3+] 87155940 572381087 /nfs/dbraw/zinc/38/10/87/572381087.db2.gz OCIRSCUGBUVUMS-UHFFFAOYSA-N 2 0 172.316 1.894 10 0 ADAERP CC[C@H](C)[C@@H]1C[N@H+](C)CC[C@@H]1[NH3+] 76598330 572381093 /nfs/dbraw/zinc/38/10/93/572381093.db2.gz FNMDSFPZEQBYCU-GUBZILKMSA-N 2 0 170.300 1.312 10 0 ADAERP C[NH+](C)CC[C@]1(C[NH3+])CC1(C)C 76598289 572381203 /nfs/dbraw/zinc/38/12/03/572381203.db2.gz RITNGNULUXFBMI-SNVBAGLBSA-N 2 0 170.300 1.313 10 0 ADAERP C[NH2+][C@@]1(C)C[C@H](C)CCN(C)C1 76598355 572381256 /nfs/dbraw/zinc/38/12/56/572381256.db2.gz QVRDEAOQQUBCNP-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@@H]1CC[C@@H](CCC[NH3+])C[N@@H+]1C 76598394 572381315 /nfs/dbraw/zinc/38/13/15/572381315.db2.gz HFFSHBCKSMKJFP-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCCN(C)Cc1ccc[nH+]c1NN 52725167 572381335 /nfs/dbraw/zinc/38/13/35/572381335.db2.gz MFHYBOCPCUKEHJ-UHFFFAOYSA-N 2 0 194.282 1.209 10 0 ADAERP CC(C)(C)[C@H]([NH3+])CC[NH2+]CCF 308005362 572381433 /nfs/dbraw/zinc/38/14/33/572381433.db2.gz LBNBFHUPUANXIE-MRVPVSSYSA-N 2 0 176.279 1.309 10 0 ADAERP CCC(CC)[NH2+]C[C@@H]1CCC[NH2+]1 87156873 572381528 /nfs/dbraw/zinc/38/15/28/572381528.db2.gz AFXWWJFHGIPXKK-JTQLQIEISA-N 2 0 170.300 1.517 10 0 ADAERP C[C@@H]1[C@@H](CCC[NH3+])CCC[N@@H+]1C 76598401 572381599 /nfs/dbraw/zinc/38/15/99/572381599.db2.gz MFYHPBXGVYMVDL-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+]C[C@@H](C)C[NH3+] 87155918 572381610 /nfs/dbraw/zinc/38/16/10/572381610.db2.gz OPCIDTLKWPLBNH-QMMMGPOBSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H]1[C@@H](CCC[NH3+])CCC[N@@H+]1C 76598404 572381654 /nfs/dbraw/zinc/38/16/54/572381654.db2.gz MFYHPBXGVYMVDL-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP c1cc([C@H]2CC[NH2+]2)sc1[C@H]1CC[NH2+]1 44257505 572381675 /nfs/dbraw/zinc/38/16/75/572381675.db2.gz SFGXVEAWXDNJOE-HTQZYQBOSA-N 2 0 194.303 1.817 10 0 ADAERP CCC[NH2+][C@H]1CCCCN(C)C1 76598294 572381702 /nfs/dbraw/zinc/38/17/02/572381702.db2.gz ZGAVTPLOVNTMHO-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CC[NH2+]CCC[NH2+]C(CC)CC 87156828 572381780 /nfs/dbraw/zinc/38/17/80/572381780.db2.gz KDYFUNNCIQIEMO-UHFFFAOYSA-N 2 0 172.316 1.764 10 0 ADAERP C[C@H]1CC[C@H](CC[NH3+])[N@H+](C)CC1 76598377 572381959 /nfs/dbraw/zinc/38/19/59/572381959.db2.gz CVRGEVOJVQACGW-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+][C@H](CC)CC[NH3+] 87155926 572382032 /nfs/dbraw/zinc/38/20/32/572382032.db2.gz HZTFNYONUYDBRN-SNVBAGLBSA-N 2 0 172.316 1.892 10 0 ADAERP CC[C@@]1([NH3+])C[C@H](C)CC[N@H+](C)C1 76598363 572382042 /nfs/dbraw/zinc/38/20/42/572382042.db2.gz MFHJQOPHISQOMB-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+]CC[C@H]1CC[NH2+]C1 87156936 572382059 /nfs/dbraw/zinc/38/20/59/572382059.db2.gz UPDMBJRMJPJIIZ-SNVBAGLBSA-N 2 0 184.327 1.764 10 0 ADAERP C[C@H]1[C@@H](CC[NH3+])CC[C@@H](C)[N@H+]1C 76598382 572382084 /nfs/dbraw/zinc/38/20/84/572382084.db2.gz VGULDHZFZLNPGL-KXUCPTDWSA-N 2 0 170.300 1.454 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CCCC[NH2+]C1 87156972 572382106 /nfs/dbraw/zinc/38/21/06/572382106.db2.gz NDEWZIIOZZYUGJ-LLVKDONJSA-N 2 0 184.327 1.907 10 0 ADAERP CC[NH2+][C@H](C)CC[NH2+]CCCF 308000829 572382179 /nfs/dbraw/zinc/38/21/79/572382179.db2.gz HHFNKXISAAVGTR-SECBINFHSA-N 2 0 176.279 1.324 10 0 ADAERP C[C@H]1CC[C@@H](CC[NH3+])[N@H+](C)CC1 76598380 572382194 /nfs/dbraw/zinc/38/21/94/572382194.db2.gz CVRGEVOJVQACGW-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH+]1CCC(C(N)=[NH2+])CC1 87157566 572382201 /nfs/dbraw/zinc/38/22/01/572382201.db2.gz VVDIURQPUIHSHP-UHFFFAOYSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@@H]1[C@H](CCC[NH3+])CCC[N@@H+]1C 76598398 572382228 /nfs/dbraw/zinc/38/22/28/572382228.db2.gz MFYHPBXGVYMVDL-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CCC[C@@H]1[NH3+] 87156900 572382230 /nfs/dbraw/zinc/38/22/30/572382230.db2.gz ZBVRANPHECFXDN-VHSXEESVSA-N 2 0 170.300 1.644 10 0 ADAERP C[NH+](C)CC[C@@H]1[C@H](C[NH3+])C1(C)C 76598280 572382280 /nfs/dbraw/zinc/38/22/80/572382280.db2.gz LMGMVJFLWQVPEC-BDAKNGLRSA-N 2 0 170.300 1.169 10 0 ADAERP CCC(CC)[NH2+][C@H]1CCC[C@@H]1[NH3+] 87156901 572382287 /nfs/dbraw/zinc/38/22/87/572382287.db2.gz ZBVRANPHECFXDN-UWVGGRQHSA-N 2 0 170.300 1.644 10 0 ADAERP CCC(CC)[NH2+]C[C@@H]1CCC[NH2+]C1 87156857 572382311 /nfs/dbraw/zinc/38/23/11/572382311.db2.gz JJUABIJUQPDQOG-SNVBAGLBSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@]1([NH3+])C[C@H](C)CC[N@H+](C)C1 76598361 572382351 /nfs/dbraw/zinc/38/23/51/572382351.db2.gz MFHJQOPHISQOMB-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(CC)[NH2+][C@H](C)CC[NH3+] 87155911 572382360 /nfs/dbraw/zinc/38/23/60/572382360.db2.gz IJDAZMASSFHYIW-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@H](CC[NH3+])C1 76598347 572382464 /nfs/dbraw/zinc/38/24/64/572382464.db2.gz MWJHYFYNMVLMAI-NXEZZACHSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@H](C)[C@H]1CCN(C)C[C@@H]1[NH3+] 76598326 572382611 /nfs/dbraw/zinc/38/26/11/572382611.db2.gz ORWWPMWDBHLCCU-AEJSXWLSSA-N 2 0 170.300 1.312 10 0 ADAERP C[N@@H+]1CCCC[C@H](CCC[NH3+])C1 76598386 572382687 /nfs/dbraw/zinc/38/26/87/572382687.db2.gz KFQLBNFVRUNVNU-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP CCC(CC)[NH2+]CC[C@@H](C)[NH3+] 87156896 572382770 /nfs/dbraw/zinc/38/27/70/572382770.db2.gz KIRVLHCJIQFLMR-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@H]1CC[N@H+](C)CC[C@@H]1CC[NH3+] 76598374 572382797 /nfs/dbraw/zinc/38/27/97/572382797.db2.gz LPMAFBQQGAUDDR-UWVGGRQHSA-N 2 0 170.300 1.313 10 0 ADAERP C[NH+](C)CC[C@H]1[C@@H](C[NH3+])C1(C)C 76598285 572382810 /nfs/dbraw/zinc/38/28/10/572382810.db2.gz LMGMVJFLWQVPEC-DTWKUNHWSA-N 2 0 170.300 1.169 10 0 ADAERP CCC(CC)[NH2+][C@H]1CCC[C@H]1[NH3+] 87156905 572382840 /nfs/dbraw/zinc/38/28/40/572382840.db2.gz ZBVRANPHECFXDN-ZJUUUORDSA-N 2 0 170.300 1.644 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CCC[C@H]1[NH3+] 87156903 572382903 /nfs/dbraw/zinc/38/29/03/572382903.db2.gz ZBVRANPHECFXDN-NXEZZACHSA-N 2 0 170.300 1.644 10 0 ADAERP C[NH2+][C@@]1(C)C[C@@H](C)CCN(C)C1 76598358 572382867 /nfs/dbraw/zinc/38/28/67/572382867.db2.gz QVRDEAOQQUBCNP-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CCC(CC)[N@H+](C)CC1CC([NH3+])C1 87174328 572385215 /nfs/dbraw/zinc/38/52/15/572385215.db2.gz QCBFZKFPOLYCLZ-UHFFFAOYSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] 60720801 572385814 /nfs/dbraw/zinc/38/58/14/572385814.db2.gz ITAKXPXBGWYTHP-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+]C/C=C/C[NH2+]Cc1cccs1 308002171 572387166 /nfs/dbraw/zinc/38/71/66/572387166.db2.gz IFYJRIXVVNQIEN-OWOJBTEDSA-N 2 0 182.292 1.353 10 0 ADAERP CC(C)[N@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] 60720800 572386295 /nfs/dbraw/zinc/38/62/95/572386295.db2.gz ITAKXPXBGWYTHP-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+]C/C=C\C[NH2+]Cc1cccs1 308002173 572386753 /nfs/dbraw/zinc/38/67/53/572386753.db2.gz IFYJRIXVVNQIEN-UPHRSURJSA-N 2 0 182.292 1.353 10 0 ADAERP C[NH+](C)CCC[C@@H]1CCC[NH2+]1 52764293 572388037 /nfs/dbraw/zinc/38/80/37/572388037.db2.gz IQVRYZWBINJSPG-VIFPVBQESA-N 2 0 156.273 1.080 10 0 ADAERP CC[C@@H]([NH3+])CCC[NH2+]C1CC1 391655812 572388598 /nfs/dbraw/zinc/38/85/98/572388598.db2.gz BMGKHWHATSTAGH-MRVPVSSYSA-N 2 0 156.273 1.256 10 0 ADAERP C[N@H+](CCC[NH3+])Cc1ccc(O)cc1 87177946 572389259 /nfs/dbraw/zinc/38/92/59/572389259.db2.gz XYNVYUFHFFLRSF-UHFFFAOYSA-N 2 0 194.278 1.173 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH2+]C1CCC1 87187589 572389923 /nfs/dbraw/zinc/38/99/23/572389923.db2.gz VBTCPSBNERPCRM-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH2+]C(C)C 87187335 572389915 /nfs/dbraw/zinc/38/99/15/572389915.db2.gz PUHXFPDZOGJYHR-JTQLQIEISA-N 2 0 172.316 1.605 10 0 ADAERP CC(C)(C)SCC[NH2+]CCC[NH3+] 308009275 572395380 /nfs/dbraw/zinc/39/53/80/572395380.db2.gz OEOFSZSWTPEFMS-UHFFFAOYSA-N 2 0 190.356 1.457 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH+](C)C 87187134 572390152 /nfs/dbraw/zinc/39/01/52/572390152.db2.gz WATQOHGLDPUREP-VIFPVBQESA-N 2 0 158.289 1.169 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H](C[NH3+])CC(C)C 87187348 572390193 /nfs/dbraw/zinc/39/01/93/572390193.db2.gz DPBZIKWZTVEUDU-GHMZBOCLSA-N 2 0 186.343 1.996 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH2+]CC1CC1 87187377 572390409 /nfs/dbraw/zinc/39/04/09/572390409.db2.gz SUJAKQWUECZODA-NSHDSACASA-N 2 0 184.327 1.607 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH+](C)C 87187136 572390444 /nfs/dbraw/zinc/39/04/44/572390444.db2.gz WATQOHGLDPUREP-SECBINFHSA-N 2 0 158.289 1.169 10 0 ADAERP CC[NH2+]C[C@H](C[NH3+])CC(C)C 87187372 572390656 /nfs/dbraw/zinc/39/06/56/572390656.db2.gz YIZHCDXINJLROZ-VIFPVBQESA-N 2 0 158.289 1.217 10 0 ADAERP CCCC[NH2+]C[C@@H](C[NH3+])CC(C)C 87187387 572390662 /nfs/dbraw/zinc/39/06/62/572390662.db2.gz XLVSRZUPVYIMDZ-LLVKDONJSA-N 2 0 186.343 1.997 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H](C[NH3+])CC(C)C 87187345 572390972 /nfs/dbraw/zinc/39/09/72/572390972.db2.gz DPBZIKWZTVEUDU-QWRGUYRKSA-N 2 0 186.343 1.996 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH2+]C(C)(C)C 87187332 572391246 /nfs/dbraw/zinc/39/12/46/572391246.db2.gz RAPGHDRDXIALKR-JTQLQIEISA-N 2 0 186.343 1.996 10 0 ADAERP C[C@H](C[NH2+]C/C=C/C[NH3+])C1CC1 308007622 572391622 /nfs/dbraw/zinc/39/16/22/572391622.db2.gz NHOCZEGTFYLUTL-GKQMSVHHSA-N 2 0 168.284 1.137 10 0 ADAERP C[C@@H](C[NH2+]C/C=C/C[NH3+])C1CC1 308007624 572391793 /nfs/dbraw/zinc/39/17/93/572391793.db2.gz NHOCZEGTFYLUTL-HPOULIHZSA-N 2 0 168.284 1.137 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH+]1CCCC1 87187053 572392013 /nfs/dbraw/zinc/39/20/13/572392013.db2.gz PSDYTDIGTXGOOO-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH2+]C(C)C 87187337 572392094 /nfs/dbraw/zinc/39/20/94/572392094.db2.gz PUHXFPDZOGJYHR-SNVBAGLBSA-N 2 0 172.316 1.605 10 0 ADAERP CC(C)[C@@H](C)C[NH2+]C/C=C\C[NH3+] 308007668 572392169 /nfs/dbraw/zinc/39/21/69/572392169.db2.gz NKAYIDJKUHBIDS-LWTINBJPSA-N 2 0 170.300 1.383 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH+]1CCCC1 87187050 572392967 /nfs/dbraw/zinc/39/29/67/572392967.db2.gz PSDYTDIGTXGOOO-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH2+]C1CCC1 87187587 572392755 /nfs/dbraw/zinc/39/27/55/572392755.db2.gz VBTCPSBNERPCRM-JTQLQIEISA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C/C=C/C[NH3+] 308007670 572392916 /nfs/dbraw/zinc/39/29/16/572392916.db2.gz NKAYIDJKUHBIDS-ORAHPGNNSA-N 2 0 170.300 1.383 10 0 ADAERP C[C@H](C[NH2+]C/C=C\C[NH3+])C1CC1 308007626 572392920 /nfs/dbraw/zinc/39/29/20/572392920.db2.gz NHOCZEGTFYLUTL-PKRMOACSSA-N 2 0 168.284 1.137 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH2+]CC1CC1 87187379 572393037 /nfs/dbraw/zinc/39/30/37/572393037.db2.gz SUJAKQWUECZODA-LLVKDONJSA-N 2 0 184.327 1.607 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH2+]CCC1CC1 87187792 572393348 /nfs/dbraw/zinc/39/33/48/572393348.db2.gz VAOBNNSIIFWCGQ-LBPRGKRZSA-N 2 0 198.354 1.997 10 0 ADAERP C[C@@H](C[NH2+]C/C=C\C[NH3+])C1CC1 308007628 572393391 /nfs/dbraw/zinc/39/33/91/572393391.db2.gz NHOCZEGTFYLUTL-XADBCAIWSA-N 2 0 168.284 1.137 10 0 ADAERP CC(C)C[NH2+]C[C@@H](C[NH3+])CC(C)C 87187362 572393451 /nfs/dbraw/zinc/39/34/51/572393451.db2.gz IHKSEYOOWHCOFI-LLVKDONJSA-N 2 0 186.343 1.853 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H](C[NH3+])CC(C)C 87187354 572393518 /nfs/dbraw/zinc/39/35/18/572393518.db2.gz DPBZIKWZTVEUDU-WDEREUQCSA-N 2 0 186.343 1.996 10 0 ADAERP CC[NH2+]C[C@@H](C[NH3+])CC(C)C 87187374 572393549 /nfs/dbraw/zinc/39/35/49/572393549.db2.gz YIZHCDXINJLROZ-SECBINFHSA-N 2 0 158.289 1.217 10 0 ADAERP CC(C)[C@@H](C)C[NH2+]C/C=C/C[NH3+] 308007673 572393567 /nfs/dbraw/zinc/39/35/67/572393567.db2.gz NKAYIDJKUHBIDS-YEZKRMTDSA-N 2 0 170.300 1.383 10 0 ADAERP CCCC[NH2+]C[C@H](C[NH3+])CC(C)C 87187384 572393771 /nfs/dbraw/zinc/39/37/71/572393771.db2.gz XLVSRZUPVYIMDZ-NSHDSACASA-N 2 0 186.343 1.997 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C/C=C\C[NH3+] 308007672 572393813 /nfs/dbraw/zinc/39/38/13/572393813.db2.gz NKAYIDJKUHBIDS-UMCURTJPSA-N 2 0 170.300 1.383 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH2+]CCC1CC1 87187794 572393844 /nfs/dbraw/zinc/39/38/44/572393844.db2.gz VAOBNNSIIFWCGQ-GFCCVEGCSA-N 2 0 198.354 1.997 10 0 ADAERP CCC[NH2+]C[C@@H](C[NH3+])CC(C)C 87187329 572393873 /nfs/dbraw/zinc/39/38/73/572393873.db2.gz PFIGWSNRCOUORW-SNVBAGLBSA-N 2 0 172.316 1.607 10 0 ADAERP CC(C)C[NH2+]C[C@H](C[NH3+])CC(C)C 87187360 572393940 /nfs/dbraw/zinc/39/39/40/572393940.db2.gz IHKSEYOOWHCOFI-NSHDSACASA-N 2 0 186.343 1.853 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H](C[NH3+])CC(C)C 87187343 572394091 /nfs/dbraw/zinc/39/40/91/572394091.db2.gz DPBZIKWZTVEUDU-MNOVXSKESA-N 2 0 186.343 1.996 10 0 ADAERP CC[C@@H](C)[NH2+]CCNCCCF 308007318 572394094 /nfs/dbraw/zinc/39/40/94/572394094.db2.gz NAOGLBJCFFDSEA-SECBINFHSA-N 2 0 176.279 1.324 10 0 ADAERP CCC[NH2+]C[C@H](C[NH3+])CC(C)C 87187327 572394166 /nfs/dbraw/zinc/39/41/66/572394166.db2.gz PFIGWSNRCOUORW-JTQLQIEISA-N 2 0 172.316 1.607 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH2+]C(C)(C)C 87187333 572394176 /nfs/dbraw/zinc/39/41/76/572394176.db2.gz RAPGHDRDXIALKR-SNVBAGLBSA-N 2 0 186.343 1.996 10 0 ADAERP CC[C@H](C)[NH2+]CCNCCCF 308007319 572394287 /nfs/dbraw/zinc/39/42/87/572394287.db2.gz NAOGLBJCFFDSEA-VIFPVBQESA-N 2 0 176.279 1.324 10 0 ADAERP CCCc1nc(CC)cn1CCC[NH3+] 238226827 572396326 /nfs/dbraw/zinc/39/63/26/572396326.db2.gz ONRNRTIEGFKBSP-UHFFFAOYSA-N 2 0 195.310 1.747 10 0 ADAERP CCC1(C[NH2+]C/C=C/C[NH3+])CC1 308012976 572400387 /nfs/dbraw/zinc/40/03/87/572400387.db2.gz PZVDIVSHQXXWNB-ONEGZZNKSA-N 2 0 168.284 1.281 10 0 ADAERP CCC1(C[NH2+]C/C=C\C[NH3+])CC1 308012975 572400516 /nfs/dbraw/zinc/40/05/16/572400516.db2.gz PZVDIVSHQXXWNB-ARJAWSKDSA-N 2 0 168.284 1.281 10 0 ADAERP C=C/C=C/CC[NH+]1CCC([NH2+]C)CC1 713701393 572398431 /nfs/dbraw/zinc/39/84/31/572398431.db2.gz HJCOLTRLSKUTBL-SNAWJCMRSA-N 2 0 194.322 1.803 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 308016642 572401413 /nfs/dbraw/zinc/40/14/13/572401413.db2.gz SBBZNZHXYPWXCE-IVZWLZJFSA-N 2 0 168.284 1.113 10 0 ADAERP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308013264 572399626 /nfs/dbraw/zinc/39/96/26/572399626.db2.gz QDMHSEFXRCUUOY-KXUCPTDWSA-N 2 0 168.284 1.113 10 0 ADAERP [NH3+]CC1([NH2+]C[C@@H]2CCCO2)CCCC1 83774393 572399691 /nfs/dbraw/zinc/39/96/91/572399691.db2.gz ZCDZVRSPGUANAZ-JTQLQIEISA-N 2 0 198.310 1.027 10 0 ADAERP CCCCC(CC)(C[NH3+])C[NH3+] 238231445 572400487 /nfs/dbraw/zinc/40/04/87/572400487.db2.gz JZGFQQAQJOBOPD-UHFFFAOYSA-N 2 0 158.289 1.490 10 0 ADAERP CC(C)[NH2+]CCCC[NH2+]CCF 308013884 572400489 /nfs/dbraw/zinc/40/04/89/572400489.db2.gz QJHVTUMSUJCTDC-UHFFFAOYSA-N 2 0 176.279 1.324 10 0 ADAERP CCC[C@H](C)[NH2+]CC(C)(C)[NH2+]C 308013573 572400732 /nfs/dbraw/zinc/40/07/32/572400732.db2.gz GPWOTVMRDTYMRJ-VIFPVBQESA-N 2 0 172.316 1.763 10 0 ADAERP [NH3+]C1(CC[NH2+]CCCF)CCC1 308014949 572400991 /nfs/dbraw/zinc/40/09/91/572400991.db2.gz RCUHGUCOXHJNSD-UHFFFAOYSA-N 2 0 174.263 1.207 10 0 ADAERP C[N@H+](CCC[NH3+])[C@H]1CCC1(C)C 308013710 572401321 /nfs/dbraw/zinc/40/13/21/572401321.db2.gz GTNDKNMAOFLEFH-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP [NH3+]CC1([NH2+]C[C@H]2CCCO2)CCCC1 83774395 572401385 /nfs/dbraw/zinc/40/13/85/572401385.db2.gz ZCDZVRSPGUANAZ-SNVBAGLBSA-N 2 0 198.310 1.027 10 0 ADAERP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2C[C@H]21 308013250 572401749 /nfs/dbraw/zinc/40/17/49/572401749.db2.gz QDMHSEFXRCUUOY-IVZWLZJFSA-N 2 0 168.284 1.113 10 0 ADAERP CCC[C@@H](C)[NH2+]CC(C)(C)[NH2+]C 308012965 572402418 /nfs/dbraw/zinc/40/24/18/572402418.db2.gz GPWOTVMRDTYMRJ-SECBINFHSA-N 2 0 172.316 1.763 10 0 ADAERP CC[NH2+]CCC[NH2+][C@H]1CC[C@@H]1C 308015825 572403605 /nfs/dbraw/zinc/40/36/05/572403605.db2.gz HICUMKVGCFCQIR-UWVGGRQHSA-N 2 0 170.300 1.374 10 0 ADAERP C[N@H+](CCC[NH3+])[C@@H]1CCC1(C)C 308013705 572402934 /nfs/dbraw/zinc/40/29/34/572402934.db2.gz GTNDKNMAOFLEFH-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP C[N@@H+]1[C@@H]2C[NH2+]CC[C@@H]2CCC1(C)C 76607679 572406244 /nfs/dbraw/zinc/40/62/44/572406244.db2.gz PIWDPSMAWSPMAJ-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP CCC[N@H+](C)Cc1ccc(C[NH3+])cn1 87223103 572403259 /nfs/dbraw/zinc/40/32/59/572403259.db2.gz MCXJRQWZDKWHOJ-UHFFFAOYSA-N 2 0 193.294 1.382 10 0 ADAERP C[NH+]1CC[C@@H]2CC(C[NH3+])C[C@H]2CC1 76607581 572403990 /nfs/dbraw/zinc/40/39/90/572403990.db2.gz BJZZYKSYXXXTIX-GHMZBOCLSA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)[N@H+](C)Cc1ccc(C[NH3+])cn1 87223032 572407222 /nfs/dbraw/zinc/40/72/22/572407222.db2.gz XCAMIBRPXRKMMP-UHFFFAOYSA-N 2 0 193.294 1.381 10 0 ADAERP C[N@@H+]1C(C)(C)CC[C@@]12CCC[NH2+]C2 76607649 572403653 /nfs/dbraw/zinc/40/36/53/572403653.db2.gz HSHLHCKYLORJCT-LLVKDONJSA-N 2 0 182.311 1.613 10 0 ADAERP CCC[NH2+]C[C@H]1CCCCC[C@H]1[NH3+] 87222501 572403794 /nfs/dbraw/zinc/40/37/94/572403794.db2.gz HCGPPXHSIKGNGE-GHMZBOCLSA-N 2 0 184.327 1.894 10 0 ADAERP C[NH+]1CC[C@H]2CC(C[NH3+])C[C@@H]2CC1 76607578 572403798 /nfs/dbraw/zinc/40/37/98/572403798.db2.gz BJZZYKSYXXXTIX-QWRGUYRKSA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1CCCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]21 76607567 572403927 /nfs/dbraw/zinc/40/39/27/572403927.db2.gz RRDJHIWQLLCORG-MXWKQRLJSA-N 2 0 182.311 1.456 10 0 ADAERP CSC1(C[N@H+](C)CCC[NH3+])CC1 308015688 572403959 /nfs/dbraw/zinc/40/39/59/572403959.db2.gz RISWMNJRSHLGNH-UHFFFAOYSA-N 2 0 188.340 1.163 10 0 ADAERP C[N@@H+]1[C@@H]2C[NH2+]CC[C@H]2CCC1(C)C 76607676 572403994 /nfs/dbraw/zinc/40/39/94/572403994.db2.gz PIWDPSMAWSPMAJ-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1[C@H]2CC(C)(C)[NH2+][C@@H]2CC[N@@H+]1C 76607502 572404047 /nfs/dbraw/zinc/40/40/47/572404047.db2.gz ONOXKWDGTMJDRX-OPRDCNLKSA-N 2 0 182.311 1.467 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C1CCCCC1 76607627 572404063 /nfs/dbraw/zinc/40/40/63/572404063.db2.gz QAHHBJRKRFENLS-MNOVXSKESA-N 2 0 182.311 1.598 10 0 ADAERP C[N@@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]2C1 76607551 572404107 /nfs/dbraw/zinc/40/41/07/572404107.db2.gz TXSCTTLDPMYQAA-UWVGGRQHSA-N 2 0 182.311 1.326 10 0 ADAERP CC[N@H+](C)Cc1ccc(C[NH2+]C)cn1 87223116 572404108 /nfs/dbraw/zinc/40/41/08/572404108.db2.gz YUSOLHLXSAKYMR-UHFFFAOYSA-N 2 0 193.294 1.253 10 0 ADAERP C[NH2+]CCCC[NH2+][C@@H]1CC[C@@H]1C 308015797 572404155 /nfs/dbraw/zinc/40/41/55/572404155.db2.gz HGABLQQNILBCBY-VHSXEESVSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@@H]1C[C@H]2[NH2+]C(C)(C)C[C@H]2C[N@@H+]1C 76607487 572404261 /nfs/dbraw/zinc/40/42/61/572404261.db2.gz TZAYKWYFIQRSTM-KXUCPTDWSA-N 2 0 182.311 1.467 10 0 ADAERP C[N@@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76607561 572404349 /nfs/dbraw/zinc/40/43/49/572404349.db2.gz TXSCTTLDPMYQAA-NXEZZACHSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+]CCCC[NH2+][C@H]1CC[C@@H]1C 308015796 572404382 /nfs/dbraw/zinc/40/43/82/572404382.db2.gz HGABLQQNILBCBY-UWVGGRQHSA-N 2 0 170.300 1.374 10 0 ADAERP CCC[NH2+]C[C@@H]1CCCCC[C@H]1[NH3+] 87222499 572404491 /nfs/dbraw/zinc/40/44/91/572404491.db2.gz HCGPPXHSIKGNGE-WDEREUQCSA-N 2 0 184.327 1.894 10 0 ADAERP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H]1C 308015826 572404747 /nfs/dbraw/zinc/40/47/47/572404747.db2.gz HICUMKVGCFCQIR-VHSXEESVSA-N 2 0 170.300 1.374 10 0 ADAERP C[N@@H+]1CC[C@@H]2[NH2+]C(C)(C)CC[C@H]2C1 76607657 572404513 /nfs/dbraw/zinc/40/45/13/572404513.db2.gz QGEHTOUWCMUMAZ-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 76607553 572404585 /nfs/dbraw/zinc/40/45/85/572404585.db2.gz TXSCTTLDPMYQAA-VHSXEESVSA-N 2 0 182.311 1.326 10 0 ADAERP C[N@@H+]1CC[C@@H]2[NH2+]C(C)(C)CC[C@@H]2C1 76607655 572404633 /nfs/dbraw/zinc/40/46/33/572404633.db2.gz QGEHTOUWCMUMAZ-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1[C@H]2CC[NH2+]C[C@@H]2CCC1(C)C 76607662 572404694 /nfs/dbraw/zinc/40/46/94/572404694.db2.gz VCLFTTYKZNEAOM-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1CCCC[C@@H]2C[C@@H]([NH3+])CC[C@@H]21 76607381 572404732 /nfs/dbraw/zinc/40/47/32/572404732.db2.gz MOEFDOJYJNSBGG-VWYCJHECSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+]CCCC[NH2+][C@@H]1CC[C@H]1C 308015795 572404737 /nfs/dbraw/zinc/40/47/37/572404737.db2.gz HGABLQQNILBCBY-NXEZZACHSA-N 2 0 170.300 1.374 10 0 ADAERP C[NH2+]CCCC[NH2+][C@H]1CC[C@H]1C 308015798 572404769 /nfs/dbraw/zinc/40/47/69/572404769.db2.gz HGABLQQNILBCBY-ZJUUUORDSA-N 2 0 170.300 1.374 10 0 ADAERP C[N@@H+]1CCC[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 76607383 572404813 /nfs/dbraw/zinc/40/48/13/572404813.db2.gz QRSUXOWVVARROE-MXWKQRLJSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 76607611 572404858 /nfs/dbraw/zinc/40/48/58/572404858.db2.gz DUJWJJPEQAKTFU-LMLFDSFASA-N 2 0 182.311 1.454 10 0 ADAERP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H]1C 308015824 572404969 /nfs/dbraw/zinc/40/49/69/572404969.db2.gz HICUMKVGCFCQIR-NXEZZACHSA-N 2 0 170.300 1.374 10 0 ADAERP CC[NH2+]CCC[NH2+][C@H]1CC[C@H]1C 308015827 572405061 /nfs/dbraw/zinc/40/50/61/572405061.db2.gz HICUMKVGCFCQIR-ZJUUUORDSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@H]1[C@H]2C[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@H+]1C 76607615 572405071 /nfs/dbraw/zinc/40/50/71/572405071.db2.gz WCUZMEKFHJVGFQ-NZHYYXIDSA-N 2 0 182.311 1.452 10 0 ADAERP C[C@@H]1[C@@H]2C[C@H](C[NH3+])C[C@@H]2CC[N@@H+]1C 76607595 572405114 /nfs/dbraw/zinc/40/51/14/572405114.db2.gz AKWRDCPMAPGSJB-ZNSHCXBVSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C[N@@H+]1C 76607403 572405187 /nfs/dbraw/zinc/40/51/87/572405187.db2.gz UNKOYHZOWZBTJO-GWOFURMSSA-N 2 0 182.311 1.454 10 0 ADAERP CC[NH+](CC)Cc1ccc(C[NH3+])cn1 87222980 572405280 /nfs/dbraw/zinc/40/52/80/572405280.db2.gz CBSMWTIPAKVNAR-UHFFFAOYSA-N 2 0 193.294 1.382 10 0 ADAERP C[C@@H]1[C@@H]2CC[C@H]([NH3+])C[C@@H]2CC[N@@H+]1C 76607413 572405303 /nfs/dbraw/zinc/40/53/03/572405303.db2.gz YCHCDIRGACFSPR-RCWTZXSCSA-N 2 0 182.311 1.454 10 0 ADAERP C[N@@H+]1[C@@H]2CC[NH2+]C[C@@H]2CCC1(C)C 76607669 572405370 /nfs/dbraw/zinc/40/53/70/572405370.db2.gz VCLFTTYKZNEAOM-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1[C@H]2C[NH2+]CC[C@@H]2CCC1(C)C 76607674 572405422 /nfs/dbraw/zinc/40/54/22/572405422.db2.gz PIWDPSMAWSPMAJ-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP CCC[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] 87222497 572405459 /nfs/dbraw/zinc/40/54/59/572405459.db2.gz HCGPPXHSIKGNGE-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 76607394 572405510 /nfs/dbraw/zinc/40/55/10/572405510.db2.gz ZHERRVFYHQPBPI-GMTAPVOTSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1[C@@H]2CC[NH2+]C[C@H]2CCC1(C)C 76607665 572405574 /nfs/dbraw/zinc/40/55/74/572405574.db2.gz VCLFTTYKZNEAOM-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1C(C)(C)CC[C@]12CCC[NH2+]C2 76607645 572405795 /nfs/dbraw/zinc/40/57/95/572405795.db2.gz HSHLHCKYLORJCT-NSHDSACASA-N 2 0 182.311 1.613 10 0 ADAERP C[N@@H+]1[C@H]2C[NH2+]CC[C@H]2CCC1(C)C 76607672 572405912 /nfs/dbraw/zinc/40/59/12/572405912.db2.gz PIWDPSMAWSPMAJ-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+]CCC[C@H]1CC2CC[NH+](CC2)C1 76607423 572406042 /nfs/dbraw/zinc/40/60/42/572406042.db2.gz CFPZNPSDLXSEKO-NSHDSACASA-N 2 0 182.311 1.457 10 0 ADAERP C[N@@H+]1CC[C@H]2CC(C)(C)[NH2+][C@H]2CC1 76607482 572406147 /nfs/dbraw/zinc/40/61/47/572406147.db2.gz XTSLLYQXOJNSMQ-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@H+](Cc1ccc(C[NH3+])cn1)C1CC1 87223111 572406194 /nfs/dbraw/zinc/40/61/94/572406194.db2.gz MFYNVSDBHBSZGT-UHFFFAOYSA-N 2 0 191.278 1.135 10 0 ADAERP C[N@@H+]1[C@H]2CC[NH2+]C[C@H]2CCC1(C)C 76607660 572406195 /nfs/dbraw/zinc/40/61/95/572406195.db2.gz VCLFTTYKZNEAOM-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP CCC[NH2+]C[C@@H]1CCCCC[C@@H]1[NH3+] 87222496 572406224 /nfs/dbraw/zinc/40/62/24/572406224.db2.gz HCGPPXHSIKGNGE-QWRGUYRKSA-N 2 0 184.327 1.894 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]2C[N@@H+]1C 76607584 572406268 /nfs/dbraw/zinc/40/62/68/572406268.db2.gz RRWGTBUMVAZLRV-LMLFDSFASA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1[C@@H]2CC(C)(C)[NH2+][C@@H]2CC[N@@H+]1C 76607497 572406279 /nfs/dbraw/zinc/40/62/79/572406279.db2.gz ONOXKWDGTMJDRX-KXUCPTDWSA-N 2 0 182.311 1.467 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 76607568 572406333 /nfs/dbraw/zinc/40/63/33/572406333.db2.gz ZBSMFTHVNDLXSC-HBNTYKKESA-N 2 0 182.311 1.313 10 0 ADAERP [NH3+]CCC[C@@H]1CC2CC[NH+](CC2)C1 76607427 572406342 /nfs/dbraw/zinc/40/63/42/572406342.db2.gz CFPZNPSDLXSEKO-LLVKDONJSA-N 2 0 182.311 1.457 10 0 ADAERP C[N@H+]1CC[C@@H]2[NH2+]C(C)(C)C[C@H]2CC1 76607484 572406375 /nfs/dbraw/zinc/40/63/75/572406375.db2.gz XTSLLYQXOJNSMQ-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1CC[C@@H]2CC[C@H]([NH3+])C[C@@H]2CC1 76607398 572406474 /nfs/dbraw/zinc/40/64/74/572406474.db2.gz IVHFDTDXDBPYGB-DCAQKATOSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C1CCCCC1 76607625 572406489 /nfs/dbraw/zinc/40/64/89/572406489.db2.gz QAHHBJRKRFENLS-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@H]1C[NH2+]CC1CC1 87222573 572406658 /nfs/dbraw/zinc/40/66/58/572406658.db2.gz QWLFYBLOGUHNCD-NWDGAFQWSA-N 2 0 196.338 1.894 10 0 ADAERP C[N@@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76607556 572406673 /nfs/dbraw/zinc/40/66/73/572406673.db2.gz TXSCTTLDPMYQAA-ZJUUUORDSA-N 2 0 182.311 1.326 10 0 ADAERP CC[NH2+]Cc1ccc(C[NH+](C)C)nc1 87223068 572406893 /nfs/dbraw/zinc/40/68/93/572406893.db2.gz LAZSNYBEBXQLKE-UHFFFAOYSA-N 2 0 193.294 1.253 10 0 ADAERP C[C@@H]1C[C@@H]2[NH2+]C(C)(C)C[C@H]2C[N@@H+]1C 76607494 572406788 /nfs/dbraw/zinc/40/67/88/572406788.db2.gz TZAYKWYFIQRSTM-UTLUCORTSA-N 2 0 182.311 1.467 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@@H]1C[NH2+]CC1CC1 87222571 572407171 /nfs/dbraw/zinc/40/71/71/572407171.db2.gz QWLFYBLOGUHNCD-VXGBXAGGSA-N 2 0 196.338 1.894 10 0 ADAERP C[N@@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@H]2C1 76607479 572407192 /nfs/dbraw/zinc/40/71/92/572407192.db2.gz UKQPXTVZVWEMDK-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+][C@H]1CCCCC[C@@H]1C[NH2+]CC1CC1 87222576 572407247 /nfs/dbraw/zinc/40/72/47/572407247.db2.gz QWLFYBLOGUHNCD-NEPJUHHUSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@@H]1C[C@@H]2C[NH+]3CCC(CC3)[C@@H]2[NH2+]1 76604545 572407709 /nfs/dbraw/zinc/40/77/09/572407709.db2.gz TWCQNNHIELYQBH-IEBDPFPHSA-N 2 0 180.295 1.079 10 0 ADAERP [NH3+][C@@H]1C[C@@H]2C[NH+]3CCC(CC3)[C@H]2C1 76604595 572407812 /nfs/dbraw/zinc/40/78/12/572407812.db2.gz OBIKJZGPYCSPPS-GMTAPVOTSA-N 2 0 180.295 1.066 10 0 ADAERP CCC1(CC)CC[N@H+](CCC(N)=[NH2+])C1 87254825 572408016 /nfs/dbraw/zinc/40/80/16/572408016.db2.gz MAFPDRBBMLGDLQ-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP CC1(C)CC[N@H+](CCCCC(N)=[NH2+])C1 87254818 572411050 /nfs/dbraw/zinc/41/10/50/572411050.db2.gz KBLVGQJBECTQMN-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C1 87255212 572408767 /nfs/dbraw/zinc/40/87/67/572408767.db2.gz CCQOQZOCUCAPJR-NSHDSACASA-N 2 0 198.354 1.949 10 0 ADAERP CC1(C)CC[N@H+](CCCC(N)=[NH2+])C1 87254801 572408911 /nfs/dbraw/zinc/40/89/11/572408911.db2.gz JTCQWCIBUKENJR-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP CC[NH2+]C[C@@H](C)C[N@@H+]1CCC(C)(C)C1 87255196 572408939 /nfs/dbraw/zinc/40/89/39/572408939.db2.gz OAXQQPUTDRXNAP-LLVKDONJSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@@H]1C[C@H]2C[NH+]3CCC(CC3)[C@@H]2[NH2+]1 76604554 572409034 /nfs/dbraw/zinc/40/90/34/572409034.db2.gz TWCQNNHIELYQBH-MIMYLULJSA-N 2 0 180.295 1.079 10 0 ADAERP CCC[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87252047 572409676 /nfs/dbraw/zinc/40/96/76/572409676.db2.gz SPPAOHNXDZNECQ-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]C[C@@H](C)C[N@@H+]1CCC(C)(C)C1 87255178 572409386 /nfs/dbraw/zinc/40/93/86/572409386.db2.gz BYNPMGLWIDVYKV-SNVBAGLBSA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]CCCC[N@@H+]1CCC(C)(C)C1 87255237 572409424 /nfs/dbraw/zinc/40/94/24/572409424.db2.gz XBFSYLCIOJZIQJ-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[NH2+][C@@H](C)CC[N@@H+]1CCC(C)(C)C1 87252167 572409503 /nfs/dbraw/zinc/40/95/03/572409503.db2.gz RNNOTTAKMCIUJH-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]CC(C)(C)C[N@@H+]1CCC(C)(C)C1 87258695 572409937 /nfs/dbraw/zinc/40/99/37/572409937.db2.gz ZMBVFOYBQRKXRH-UHFFFAOYSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87252048 572410175 /nfs/dbraw/zinc/41/01/75/572410175.db2.gz SPPAOHNXDZNECQ-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](CC(N)=[NH2+])[N@@H+]1CCC(C)(C)C1 87254817 572410562 /nfs/dbraw/zinc/41/05/62/572410562.db2.gz YDMUSOSVIPZMPU-SECBINFHSA-N 2 0 197.326 1.823 10 0 ADAERP [NH3+][C@@H]1C[C@@H]2C[NH+]3CCC(CC3)[C@@H]2C1 76604588 572410529 /nfs/dbraw/zinc/41/05/29/572410529.db2.gz OBIKJZGPYCSPPS-MXWKQRLJSA-N 2 0 180.295 1.066 10 0 ADAERP CC[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C1 87255026 572410673 /nfs/dbraw/zinc/41/06/73/572410673.db2.gz PTPKZFVYDDGPDM-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC[NH2+]CCC[N@@H+]1CCC(C)(C)C1 87252199 572410730 /nfs/dbraw/zinc/41/07/30/572410730.db2.gz KFLVLQOTGJAIEY-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[C@H]([NH3+])CCC[N@@H+]1CCC(C)(C)C1 87252042 572410831 /nfs/dbraw/zinc/41/08/31/572410831.db2.gz FRKQBOHZSVZCEE-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]C[C@H](C)C[N@@H+]1CCC(C)(C)C1 87255177 572411086 /nfs/dbraw/zinc/41/10/86/572411086.db2.gz BYNPMGLWIDVYKV-JTQLQIEISA-N 2 0 184.327 1.574 10 0 ADAERP C[C@@H]([NH3+])CCC[N@@H+]1CCC(C)(C)C1 87252044 572411138 /nfs/dbraw/zinc/41/11/38/572411138.db2.gz FRKQBOHZSVZCEE-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1CCC(C)(C)C1 87252169 572411164 /nfs/dbraw/zinc/41/11/64/572411164.db2.gz RNNOTTAKMCIUJH-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1CSC(N)=[NH2+] 238232762 572411202 /nfs/dbraw/zinc/41/12/02/572411202.db2.gz DRDMRONZSMHSLV-SSDOTTSWSA-N 2 0 187.312 1.097 10 0 ADAERP CC1(C)CC[N@H+](CCC[NH2+]C2CC2)C1 87252061 572411469 /nfs/dbraw/zinc/41/14/69/572411469.db2.gz KYSKBRFBJDZKDF-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@H](C[NH3+])C[N@@H+]1CCC(C)(C)C1 87255028 572411528 /nfs/dbraw/zinc/41/15/28/572411528.db2.gz PTPKZFVYDDGPDM-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC(C)(C)C1 87255213 572411842 /nfs/dbraw/zinc/41/18/42/572411842.db2.gz CCQOQZOCUCAPJR-LLVKDONJSA-N 2 0 198.354 1.949 10 0 ADAERP CC[C@H]([NH3+])CC[C@@H]([NH3+])CC 44399638 572411865 /nfs/dbraw/zinc/41/18/65/572411865.db2.gz CAYKLQMXSZPJFS-YUMQZZPRSA-N 2 0 144.262 1.241 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@@H+]1CCC(C)(C)C1 87254815 572411894 /nfs/dbraw/zinc/41/18/94/572411894.db2.gz YDMUSOSVIPZMPU-VIFPVBQESA-N 2 0 197.326 1.823 10 0 ADAERP CC[NH2+]C[C@H](C)C[N@@H+]1CCC(C)(C)C1 87255198 572411900 /nfs/dbraw/zinc/41/19/00/572411900.db2.gz OAXQQPUTDRXNAP-NSHDSACASA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@@H]([NH3+])CC[C@H]([NH3+])CC 44399636 572412616 /nfs/dbraw/zinc/41/26/16/572412616.db2.gz CAYKLQMXSZPJFS-HTQZYQBOSA-N 2 0 144.262 1.241 10 0 ADAERP C[NH2+]CC[C@H](C)[N@@H+]1CCC(C)(C)C1 87258916 572412668 /nfs/dbraw/zinc/41/26/68/572412668.db2.gz LZZLMJUECMMSFT-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CCCC[C@@H]([NH3+])[C@H]([NH3+])C(C)C 238793049 572412789 /nfs/dbraw/zinc/41/27/89/572412789.db2.gz PFOJODDJONAXKR-RKDXNWHRSA-N 2 0 158.289 1.487 10 0 ADAERP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258901 572412811 /nfs/dbraw/zinc/41/28/11/572412811.db2.gz JYWCJBYVLXCCGL-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+]CC[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258918 572412910 /nfs/dbraw/zinc/41/29/10/572412910.db2.gz LZZLMJUECMMSFT-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@H]([NH3+])CC(C)(C)C[NH+](C)C 44406089 572412921 /nfs/dbraw/zinc/41/29/21/572412921.db2.gz JTIIIVAPRFASNJ-VIFPVBQESA-N 2 0 172.316 1.702 10 0 ADAERP CCCC[C@@H]([NH3+])[C@@H]1CCCC[NH2+]1 238793036 572412926 /nfs/dbraw/zinc/41/29/26/572412926.db2.gz OIYQFUPHIXCBDK-ZJUUUORDSA-N 2 0 170.300 1.646 10 0 ADAERP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87258905 572413001 /nfs/dbraw/zinc/41/30/01/572413001.db2.gz JYWCJBYVLXCCGL-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H](CCC[NH3+])[N@@H+]1CCC(C)(C)C1 87258884 572413143 /nfs/dbraw/zinc/41/31/43/572413143.db2.gz OWIQRNXLXUNYQP-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CCCC[C@@H]([NH3+])[C@H]([NH3+])CC(C)C 238793050 572413182 /nfs/dbraw/zinc/41/31/82/572413182.db2.gz QYDWHAKOJCUERF-NXEZZACHSA-N 2 0 172.316 1.877 10 0 ADAERP C[C@@H](CCC[NH3+])[N@@H+]1CCC(C)(C)C1 87258883 572413559 /nfs/dbraw/zinc/41/35/59/572413559.db2.gz OWIQRNXLXUNYQP-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258898 572413397 /nfs/dbraw/zinc/41/33/97/572413397.db2.gz JYWCJBYVLXCCGL-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP CCCC[C@@H]([NH3+])[C@H]1CCCC[NH2+]1 238793066 572413437 /nfs/dbraw/zinc/41/34/37/572413437.db2.gz OIYQFUPHIXCBDK-NXEZZACHSA-N 2 0 170.300 1.646 10 0 ADAERP CC[NH+](CC)C/C=C1/CNC(=[NH2+])S1 238235400 572413563 /nfs/dbraw/zinc/41/35/63/572413563.db2.gz GWSCEKRIGWDYCH-YVMONPNESA-N 2 0 199.323 1.274 10 0 ADAERP CCCC[C@@H]([NH3+])[C@@H]([NH3+])CC(C)C 238793017 572413618 /nfs/dbraw/zinc/41/36/18/572413618.db2.gz QYDWHAKOJCUERF-ZJUUUORDSA-N 2 0 172.316 1.877 10 0 ADAERP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87258903 572413779 /nfs/dbraw/zinc/41/37/79/572413779.db2.gz JYWCJBYVLXCCGL-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP CCCCO[C@@H](CC[NH3+])CCC[NH3+] 238233029 572414288 /nfs/dbraw/zinc/41/42/88/572414288.db2.gz QTXOJZZJFRJHPB-SNVBAGLBSA-N 2 0 188.315 1.259 10 0 ADAERP CCCC[C@@H]([NH3+])[C@@H]([NH3+])C(C)C 238793015 572414397 /nfs/dbraw/zinc/41/43/97/572414397.db2.gz PFOJODDJONAXKR-BDAKNGLRSA-N 2 0 158.289 1.487 10 0 ADAERP Cc1cscc1C[NH2+]CCCC[NH3+] 87310319 572414686 /nfs/dbraw/zinc/41/46/86/572414686.db2.gz NEYGWAUSGZPMHL-UHFFFAOYSA-N 2 0 198.335 1.885 10 0 ADAERP CCc1ccsc1C[NH2+]CCC[NH3+] 87310173 572414821 /nfs/dbraw/zinc/41/48/21/572414821.db2.gz QCGDHOSJOMKWMB-UHFFFAOYSA-N 2 0 198.335 1.749 10 0 ADAERP Cc1cscc1C[NH2+]C[C@@H](C)C[NH3+] 87310234 572414925 /nfs/dbraw/zinc/41/49/25/572414925.db2.gz OROWNNGWFDXWKD-QMMMGPOBSA-N 2 0 198.335 1.741 10 0 ADAERP C[C@H]1C[C@H]1c1ncc(C[NH2+]C2CC2)[nH]1 83810707 572414963 /nfs/dbraw/zinc/41/49/63/572414963.db2.gz CEBANIWWKXIRQA-OIBJUYFYSA-N 2 0 191.278 1.785 10 0 ADAERP C[C@@H]1C[C@@H]1c1ncc(C[NH2+]C2CC2)[nH]1 83810704 572414993 /nfs/dbraw/zinc/41/49/93/572414993.db2.gz CEBANIWWKXIRQA-XCBNKYQSSA-N 2 0 191.278 1.785 10 0 ADAERP Cc1cscc1C[NH2+]CC[C@@H](C)[NH3+] 87310271 572415103 /nfs/dbraw/zinc/41/51/03/572415103.db2.gz PBNROYZBSVHOLT-SECBINFHSA-N 2 0 198.335 1.883 10 0 ADAERP CC(C)C[NH2+][C@H]1CCCCN(C)C1 76629642 572415208 /nfs/dbraw/zinc/41/52/08/572415208.db2.gz RETDYYJHASQDDC-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)C[C@H]1CCCN(C)C[C@@H]1[NH3+] 76629708 572415252 /nfs/dbraw/zinc/41/52/52/572415252.db2.gz RMEXXTPVJQOAAI-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1CC[C@H](C)[NH3+] 250330815 572415275 /nfs/dbraw/zinc/41/52/75/572415275.db2.gz OKTKCJTXNSDDQO-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H](C)[C@H]1CCCN(C)C[C@@H]1[NH3+] 76629696 572415647 /nfs/dbraw/zinc/41/56/47/572415647.db2.gz YKFWDGXZBJYAGT-AXFHLTTASA-N 2 0 184.327 1.702 10 0 ADAERP Cc1cscc1C[NH2+]CCC[NH3+] 87310363 572415684 /nfs/dbraw/zinc/41/56/84/572415684.db2.gz NKXISISGKIMPKG-UHFFFAOYSA-N 2 0 184.308 1.495 10 0 ADAERP C[C@@H]1C[C@H]1c1ncc(C[NH2+]C2CC2)[nH]1 83810706 572416004 /nfs/dbraw/zinc/41/60/04/572416004.db2.gz CEBANIWWKXIRQA-GMSGAONNSA-N 2 0 191.278 1.785 10 0 ADAERP CC(C)C[C@@H]1CCCN(C)C[C@@H]1[NH3+] 76629702 572416063 /nfs/dbraw/zinc/41/60/63/572416063.db2.gz RMEXXTPVJQOAAI-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP C[N@@H+]1CCC(C)(C)C[C@H](CC[NH3+])C1 76629716 572416411 /nfs/dbraw/zinc/41/64/11/572416411.db2.gz JREJCFCBJHJIBL-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC[N@@H+]1CCCC[C@H]1CC[C@H](C)[NH3+] 250330811 572416419 /nfs/dbraw/zinc/41/64/19/572416419.db2.gz OKTKCJTXNSDDQO-QWRGUYRKSA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@H](C)[C@@H]1CCCN(C)C[C@@H]1[NH3+] 76629688 572416431 /nfs/dbraw/zinc/41/64/31/572416431.db2.gz YKFWDGXZBJYAGT-DCAQKATOSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]1C[C@@H]1c1ncc(C[NH2+]C2CC2)[nH]1 83810705 572416532 /nfs/dbraw/zinc/41/65/32/572416532.db2.gz CEBANIWWKXIRQA-XVKPBYJWSA-N 2 0 191.278 1.785 10 0 ADAERP CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]([NH3+])C1 222727927 572416571 /nfs/dbraw/zinc/41/65/71/572416571.db2.gz IAXXPXOKDWGQNG-HBNTYKKESA-N 2 0 184.327 1.890 10 0 ADAERP C[NH2+][C@]1(C)CN(C)CCC(C)(C)C1 76629723 572416866 /nfs/dbraw/zinc/41/68/66/572416866.db2.gz ZCZNGAWGXNZSLI-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)[C@H]1C[C@]1(C[NH3+])CC[NH+](C)C 107172433 572416983 /nfs/dbraw/zinc/41/69/83/572416983.db2.gz NKLGYSHEMYTMAR-MNOVXSKESA-N 2 0 184.327 1.559 10 0 ADAERP CC(C)CC[C@@H]([NH3+])[C@H]1CC[NH2+]C1 212912927 572417004 /nfs/dbraw/zinc/41/70/04/572417004.db2.gz SZSUAPSVBQGARA-VHSXEESVSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]CCCc1nc(-c2ccoc2)c[nH]1 87290870 572417222 /nfs/dbraw/zinc/41/72/22/572417222.db2.gz ZGTFZESJUQFEAZ-UHFFFAOYSA-N 2 0 191.234 1.561 10 0 ADAERP C[NH2+][C@@]1(C)CN(C)CCC(C)(C)C1 76629725 572417674 /nfs/dbraw/zinc/41/76/74/572417674.db2.gz ZCZNGAWGXNZSLI-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP Cc1cscc1C[NH2+]CC[C@H](C)[NH3+] 87310272 572417769 /nfs/dbraw/zinc/41/77/69/572417769.db2.gz PBNROYZBSVHOLT-VIFPVBQESA-N 2 0 198.335 1.883 10 0 ADAERP C[N@@H+]1CCC(C)(C)C[C@@H](CC[NH3+])C1 76629711 572417939 /nfs/dbraw/zinc/41/79/39/572417939.db2.gz JREJCFCBJHJIBL-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[NH2+][C@@H]1CCCCN(C)C1 76629636 572417981 /nfs/dbraw/zinc/41/79/81/572417981.db2.gz RETDYYJHASQDDC-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP Cc1cscc1C[NH2+]C[C@H](C)C[NH3+] 87310235 572418211 /nfs/dbraw/zinc/41/82/11/572418211.db2.gz OROWNNGWFDXWKD-MRVPVSSYSA-N 2 0 198.335 1.741 10 0 ADAERP C1CC([N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)C1 53035196 572418406 /nfs/dbraw/zinc/41/84/06/572418406.db2.gz UXLQAUSWRBZLGP-JTQLQIEISA-N 2 0 194.322 1.613 10 0 ADAERP C[NH2+]CCC[NH2+]Cc1cscc1C 87310269 572418453 /nfs/dbraw/zinc/41/84/53/572418453.db2.gz OASGZODKZLFGJW-UHFFFAOYSA-N 2 0 198.335 1.756 10 0 ADAERP CC[C@]1([NH3+])C[N@H+](C)CCC(C)(C)C1 76629742 572418749 /nfs/dbraw/zinc/41/87/49/572418749.db2.gz DHXJTKAXBASCIP-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1[C@@H](CCC[NH3+])CC[C@@H](C)[N@H+]1C 76629798 572418884 /nfs/dbraw/zinc/41/88/84/572418884.db2.gz UKJLDVAHVMYOHG-VWYCJHECSA-N 2 0 184.327 1.844 10 0 ADAERP CCCCO[C@H](CC[NH3+])CCC[NH3+] 238235436 572419298 /nfs/dbraw/zinc/41/92/98/572419298.db2.gz QTXOJZZJFRJHPB-JTQLQIEISA-N 2 0 188.315 1.259 10 0 ADAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1CC1CCC1 83842130 572419366 /nfs/dbraw/zinc/41/93/66/572419366.db2.gz QUWDCDGXSNYXQQ-GFCCVEGCSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@@H]1CC[C@@H](CCC[NH3+])[N@H+](C)CC1 76629785 572419512 /nfs/dbraw/zinc/41/95/12/572419512.db2.gz WIPHYZDUSJGXHL-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1[C@H](CCC[NH3+])CC[C@@H](C)[N@H+]1C 76629800 572419900 /nfs/dbraw/zinc/41/99/00/572419900.db2.gz UKJLDVAHVMYOHG-OUAUKWLOSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@H]1CC[C@@H](CCC[NH3+])[N@H+](C)CC1 76629792 572419963 /nfs/dbraw/zinc/41/99/63/572419963.db2.gz WIPHYZDUSJGXHL-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]CCC[C@H]1CCC[N@@H+]1CC1CCC1 83842129 572420437 /nfs/dbraw/zinc/42/04/37/572420437.db2.gz QUWDCDGXSNYXQQ-LBPRGKRZSA-N 2 0 196.338 1.990 10 0 ADAERP CCC([NH3+])(CC)C1CC[NH+](C)CC1 76629732 572420520 /nfs/dbraw/zinc/42/05/20/572420520.db2.gz KSPHAIJXDNECIL-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC[NH+](CC)CC1(CC[NH3+])CC1 83853248 572421397 /nfs/dbraw/zinc/42/13/97/572421397.db2.gz GRDIUDXRFVHOOV-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP C[C@@H]1CC[C@H](CCC[NH3+])[N@H+](C)CC1 76629776 572420742 /nfs/dbraw/zinc/42/07/42/572420742.db2.gz WIPHYZDUSJGXHL-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@]1([NH3+])C[N@H+](C)CCC(C)(C)C1 76629737 572420832 /nfs/dbraw/zinc/42/08/32/572420832.db2.gz DHXJTKAXBASCIP-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1CC[N@H+](C)CC[C@@H]1CCC[NH3+] 76629773 572420999 /nfs/dbraw/zinc/42/09/99/572420999.db2.gz ACCJTDMHYWZNHT-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH+](C)CCC[C@H]1CCCCC[NH2+]1 76629808 572421190 /nfs/dbraw/zinc/42/11/90/572421190.db2.gz BUOPBZNBRMJJBP-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC[NH+](CC)CC=C1CSC(N)=[NH+]1 238235438 572421408 /nfs/dbraw/zinc/42/14/08/572421408.db2.gz AOFGIJXFNWAYMT-YVMONPNESA-N 2 0 199.323 1.274 10 0 ADAERP C[C@H]1C[C@@H]1C[N@H+](C)CC1(CC[NH3+])CC1 83853622 572421479 /nfs/dbraw/zinc/42/14/79/572421479.db2.gz MUNJKNJCQHEVPP-WDEREUQCSA-N 2 0 196.338 1.703 10 0 ADAERP CC[N@H+](CC1CC1)CC1(CC[NH3+])CC1 83853626 572421630 /nfs/dbraw/zinc/42/16/30/572421630.db2.gz ZKBTTWXCAQLXHT-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CCC1(C[NH+]2CCCCC2)CC1 83853262 572421664 /nfs/dbraw/zinc/42/16/64/572421664.db2.gz GSDLMWWHDUZGKS-UHFFFAOYSA-N 2 0 182.311 1.601 10 0 ADAERP CC[N@H+](CC1(CC[NH3+])CC1)C1CC1 83853296 572421734 /nfs/dbraw/zinc/42/17/34/572421734.db2.gz UQWHJYFHCMYKGJ-UHFFFAOYSA-N 2 0 182.311 1.600 10 0 ADAERP CCC[N@H+](CC1(CC[NH3+])CC1)C1CC1 83853304 572421900 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1.905 10 0 ADAERP CCC([NH3+])(CC)C[NH2+]C(C)(C)C 83824354 572431671 /nfs/dbraw/zinc/43/16/71/572431671.db2.gz GBBADHNSBOEAJD-UHFFFAOYSA-N 2 0 172.316 1.892 10 0 ADAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C2(C)CC2)C1 87364877 572431740 /nfs/dbraw/zinc/43/17/40/572431740.db2.gz HJEHDHQKLDZJII-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+]CCCF 308025189 572431753 /nfs/dbraw/zinc/43/17/53/572431753.db2.gz WSPODCKLTPOICK-SECBINFHSA-N 2 0 176.279 1.167 10 0 ADAERP CCC[NH2+][C@H](C)C[C@H]1CCCC[NH2+]1 83823840 572432066 /nfs/dbraw/zinc/43/20/66/572432066.db2.gz ULHPMFCZDBUOJC-GHMZBOCLSA-N 2 0 184.327 1.907 10 0 ADAERP CC1(C)C[C@H]1C[NH2+]C/C=C\C[NH3+] 308022011 572432114 /nfs/dbraw/zinc/43/21/14/572432114.db2.gz UZNRVVHIRLZXGW-TYRPZCRBSA-N 2 0 168.284 1.137 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C/C=C/C[NH3+] 308022008 572432264 /nfs/dbraw/zinc/43/22/64/572432264.db2.gz UZNRVVHIRLZXGW-CDAZIORVSA-N 2 0 168.284 1.137 10 0 ADAERP CC(C)[NH2+][C@H](C)C[C@@H]1CCCC[NH2+]1 83823834 572432338 /nfs/dbraw/zinc/43/23/38/572432338.db2.gz JQDCERAGPJLVQT-MNOVXSKESA-N 2 0 184.327 1.905 10 0 ADAERP CCC[NH2+][C@@H](C)C[C@H]1CCCC[NH2+]1 83823839 572432395 /nfs/dbraw/zinc/43/23/95/572432395.db2.gz ULHPMFCZDBUOJC-WDEREUQCSA-N 2 0 184.327 1.907 10 0 ADAERP [NH3+][C@H](CC[NH2+]CCCF)C1CC1 308021386 572432404 /nfs/dbraw/zinc/43/24/04/572432404.db2.gz UVFUFVRZAWQKKY-SECBINFHSA-N 2 0 174.263 1.063 10 0 ADAERP CCC[NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1 83823837 572432503 /nfs/dbraw/zinc/43/25/03/572432503.db2.gz ULHPMFCZDBUOJC-QWRGUYRKSA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)(CC[NH3+])C[NH2+]C1(C)CC1 308022834 572432566 /nfs/dbraw/zinc/43/25/66/572432566.db2.gz VJHBUAFDVSLCCG-UHFFFAOYSA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+]CCCF 308025190 572432781 /nfs/dbraw/zinc/43/27/81/572432781.db2.gz WSPODCKLTPOICK-VIFPVBQESA-N 2 0 176.279 1.167 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]CCC1CC1 83895411 572432838 /nfs/dbraw/zinc/43/28/38/572432838.db2.gz KGGVFUHDHSVOCS-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C/C=C\C[NH3+] 308022012 572433025 /nfs/dbraw/zinc/43/30/25/572433025.db2.gz UZNRVVHIRLZXGW-ZBJFTSOASA-N 2 0 168.284 1.137 10 0 ADAERP CC(C)CC[C@]([NH3+])(C[NH3+])C1CC1 308021998 572433117 /nfs/dbraw/zinc/43/31/17/572433117.db2.gz UYVPWXOCVDUDKL-JTQLQIEISA-N 2 0 170.300 1.489 10 0 ADAERP [NH3+]C1(CC[NH2+]CCF)CCCC1 308022018 572433220 /nfs/dbraw/zinc/43/32/20/572433220.db2.gz VAAFBTJZHSEKRA-UHFFFAOYSA-N 2 0 174.263 1.207 10 0 ADAERP NC(=[NH2+])CC[N@H+](CC1CCC1)C1CC1 83839244 572433311 /nfs/dbraw/zinc/43/33/11/572433311.db2.gz URIZZBRKBKKHAU-UHFFFAOYSA-N 2 0 195.310 1.577 10 0 ADAERP CC[N@H+](CCC(N)=[NH2+])CC1CCC1 83839241 572433330 /nfs/dbraw/zinc/43/33/30/572433330.db2.gz XRWXNPNUALLONA-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP CCC[N@H+](CCC[NH3+])CC1CCC1 83838088 572433399 /nfs/dbraw/zinc/43/33/99/572433399.db2.gz XQIZWTGTMZGUIQ-UHFFFAOYSA-N 2 0 184.327 1.847 10 0 ADAERP CC1(C)C[C@H]1C[NH2+]C/C=C/C[NH3+] 308022009 572433473 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197.326 1.680 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CCC2)C1 83838408 572434160 /nfs/dbraw/zinc/43/41/60/572434160.db2.gz YUMWTCDWFXTOOL-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP C[C@@]1(C[NH2+]CCC2CC2)CCC[NH2+]1 83895393 572434198 /nfs/dbraw/zinc/43/41/98/572434198.db2.gz ILUBAWMBLCJMDP-NSHDSACASA-N 2 0 182.311 1.518 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@H]2CCC[NH2+]C2)C1 250552882 572434237 /nfs/dbraw/zinc/43/42/37/572434237.db2.gz AOBNZBFPUFATKK-MNOVXSKESA-N 2 0 182.311 1.328 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H](C[NH2+]CCC2CC2)C1 83895387 572434317 /nfs/dbraw/zinc/43/43/17/572434317.db2.gz RAYDAOKHMSYXQH-VXGBXAGGSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+][C@@H]1CCC[C@H](C[NH2+]CCC2CC2)C1 83895386 572434376 /nfs/dbraw/zinc/43/43/76/572434376.db2.gz RAYDAOKHMSYXQH-NWDGAFQWSA-N 2 0 196.338 1.894 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH2+]CCC1CC1 83895405 572434427 /nfs/dbraw/zinc/43/44/27/572434427.db2.gz LANUTHDVLQVTBI-LLVKDONJSA-N 2 0 184.327 1.894 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]CCC1CC1 83895401 572434542 /nfs/dbraw/zinc/43/45/42/572434542.db2.gz XSEGHQSANLGTLA-SNVBAGLBSA-N 2 0 170.300 1.504 10 0 ADAERP CC1(C[NH2+]CC2([NH3+])CC2)CCCC1 83837500 572434570 /nfs/dbraw/zinc/43/45/70/572434570.db2.gz UUNZWUHFPVZIOT-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CCC1CC1 83895403 572434592 /nfs/dbraw/zinc/43/45/92/572434592.db2.gz VMEQCHFIWKGWHD-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP CN1CC[C@H]([NH3+])[C@@H]1c1ccc(O)cc1 76635554 572434632 /nfs/dbraw/zinc/43/46/32/572434632.db2.gz DCRUFALIVVVDHZ-QWRGUYRKSA-N 2 0 192.262 1.096 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+]CC2CCC2)C1 83838406 572434691 /nfs/dbraw/zinc/43/46/91/572434691.db2.gz YUMWTCDWFXTOOL-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP CC[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCC1 83839361 572434708 /nfs/dbraw/zinc/43/47/08/572434708.db2.gz AIQGEZYLKWNYJY-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)c1[nH]c2c(c1CC[NH3+])C[NH2+]C2 214747418 572434732 /nfs/dbraw/zinc/43/47/32/572434732.db2.gz JOZSYCVBBZHLTC-UHFFFAOYSA-N 2 0 193.294 1.243 10 0 ADAERP C[NH+](C)CCCC[NH2+]CC1CCC1 83838619 572434748 /nfs/dbraw/zinc/43/47/48/572434748.db2.gz FCRRKNLIIWENRP-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[C@@]([NH3+])(C[NH2+]CCC1CC1)C1CC1 83895420 572434850 /nfs/dbraw/zinc/43/48/50/572434850.db2.gz HYOSSZIZHPJOQC-LLVKDONJSA-N 2 0 182.311 1.504 10 0 ADAERP CC[C@H](CC[NH3+])CNc1[nH+]ccn1C 87374414 572434944 /nfs/dbraw/zinc/43/49/44/572434944.db2.gz VGCQTUZQZJSWJZ-SECBINFHSA-N 2 0 196.298 1.207 10 0 ADAERP CC[N@@H+](CC1CCC1)C[C@H](C)C[NH3+] 83838125 572435194 /nfs/dbraw/zinc/43/51/94/572435194.db2.gz FDVODVORPLXAJN-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C[N@@H+]1CC[C@H](C[C@H]2CCC[NH2+]C2)C1 250552875 572435232 /nfs/dbraw/zinc/43/52/32/572435232.db2.gz AOBNZBFPUFATKK-GHMZBOCLSA-N 2 0 182.311 1.328 10 0 ADAERP [NH3+][C@H]1CCC[C@H](C[NH2+]CCC2CC2)C1 83895388 572435268 /nfs/dbraw/zinc/43/52/68/572435268.db2.gz RAYDAOKHMSYXQH-RYUDHWBXSA-N 2 0 196.338 1.894 10 0 ADAERP 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VGCQTUZQZJSWJZ-VIFPVBQESA-N 2 0 196.298 1.207 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+]CCC1CC1 83895400 572435572 /nfs/dbraw/zinc/43/55/72/572435572.db2.gz XSEGHQSANLGTLA-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)(C)c1[nH]c2c(c1C[NH3+])C[NH2+]C2 214747350 572435627 /nfs/dbraw/zinc/43/56/27/572435627.db2.gz BYXOZEKUWJGKIU-UHFFFAOYSA-N 2 0 193.294 1.374 10 0 ADAERP CN1CCC[C@@H]([NH3+])[C@H]1c1ccn(C)c1 76635905 572436359 /nfs/dbraw/zinc/43/63/59/572436359.db2.gz MKMUGIWLTPVGRS-GHMZBOCLSA-N 2 0 193.294 1.119 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+]CC2CCC2)C1 83838414 572435811 /nfs/dbraw/zinc/43/58/11/572435811.db2.gz NCFJSZZWGCQRLW-NSHDSACASA-N 2 0 182.311 1.328 10 0 ADAERP CC[N@H+](CC1CCC1)C1CC[NH2+]CC1 83839900 572435826 /nfs/dbraw/zinc/43/58/26/572435826.db2.gz XLWNJYNZBUCQSL-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@@H](CC[NH3+])CNc1cc[nH+]cc1 87374565 572435856 /nfs/dbraw/zinc/43/58/56/572435856.db2.gz ORKJGNJTQXJBEB-JTQLQIEISA-N 2 0 193.294 1.869 10 0 ADAERP 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CCMFTHDYHRPUAD-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP C[N@@H+]1CCC[C@H]([NH2+]CCC2CC2)CC1 83894027 572437832 /nfs/dbraw/zinc/43/78/32/572437832.db2.gz UGYPPACZEUXADH-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH+](C)CC[C@H]1[C@@H](C[NH3+])C12CCCC2 76637048 572438342 /nfs/dbraw/zinc/43/83/42/572438342.db2.gz CUNQQSPMUSEMBO-WDEREUQCSA-N 2 0 196.338 1.703 10 0 ADAERP CC(C)=CC[N@@H+]1CCC[C@H](C[NH3+])C1 44529430 572438437 /nfs/dbraw/zinc/43/84/37/572438437.db2.gz WYKRBCIURQRGIX-LLVKDONJSA-N 2 0 182.311 1.623 10 0 ADAERP CC[C@H]([NH3+])C(=O)CC[NH+]1CCCCC1 74236979 572438499 /nfs/dbraw/zinc/43/84/99/572438499.db2.gz UEXNGAKPMJCDDI-JTQLQIEISA-N 2 0 198.310 1.169 10 0 ADAERP CN1CCC[C@H]2[C@H](C1)[NH2+]CCC2(C)C 76637057 572438558 /nfs/dbraw/zinc/43/85/58/572438558.db2.gz OFWJWJJOORMOHZ-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]([NH3+])C(=O)CC[NH+]1CCCCC1 74236981 572438560 /nfs/dbraw/zinc/43/85/60/572438560.db2.gz UEXNGAKPMJCDDI-SNVBAGLBSA-N 2 0 198.310 1.169 10 0 ADAERP 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184.327 1.607 10 0 ADAERP C[N@H+]1Cc2sccc2[C@H](CC[NH3+])C1 76637006 572439938 /nfs/dbraw/zinc/43/99/38/572439938.db2.gz FENTVVKFGHRMAU-MRVPVSSYSA-N 2 0 196.319 1.626 10 0 ADAERP CN1CCC[C@@H]2[C@@H](C1)[NH2+]CCC2(C)C 76637064 572441157 /nfs/dbraw/zinc/44/11/57/572441157.db2.gz OFWJWJJOORMOHZ-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP [NH3+]C1(C[NH2+]CCC2CC2)CCCC1 83895459 572440090 /nfs/dbraw/zinc/44/00/90/572440090.db2.gz PREGSIIRDHFHPM-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP C[NH+](C)CC[C@@]1(C[NH3+])CC12CCCC2 76637052 572440114 /nfs/dbraw/zinc/44/01/14/572440114.db2.gz RCLSLHNYSDNMTQ-LBPRGKRZSA-N 2 0 196.338 1.847 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH2+]CCC2CC2)C1 83893311 572440192 /nfs/dbraw/zinc/44/01/92/572440192.db2.gz FOICIKYSOYBDQU-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP C[NH+](C)CC[C@@H]1[C@H](C[NH3+])C12CCCC2 76637043 572440217 /nfs/dbraw/zinc/44/02/17/572440217.db2.gz CUNQQSPMUSEMBO-MNOVXSKESA-N 2 0 196.338 1.703 10 0 ADAERP C[NH+](C)CC[C@@H]1[C@@H](C[NH3+])C12CCCC2 76637046 572440251 /nfs/dbraw/zinc/44/02/51/572440251.db2.gz CUNQQSPMUSEMBO-GHMZBOCLSA-N 2 0 196.338 1.703 10 0 ADAERP C[NH+](C)CC[C@]1(C[NH3+])CC12CCCC2 76637050 572440324 /nfs/dbraw/zinc/44/03/24/572440324.db2.gz RCLSLHNYSDNMTQ-GFCCVEGCSA-N 2 0 196.338 1.847 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CC(C1CC1)C1CC1 83895531 572440333 /nfs/dbraw/zinc/44/03/33/572440333.db2.gz NLOYDDLEEWXPQI-QMMMGPOBSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCC1CC1 83895507 572440395 /nfs/dbraw/zinc/44/03/95/572440395.db2.gz XSBCUGOCEJRPQV-MWLCHTKSSA-N 2 0 182.311 1.232 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+]CCC1CC1 83895452 572440437 /nfs/dbraw/zinc/44/04/37/572440437.db2.gz IKRURNJLGHMSSM-MWLCHTKSSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+]CCC1CC1 83895508 572440581 /nfs/dbraw/zinc/44/05/81/572440581.db2.gz XSBCUGOCEJRPQV-GXSJLCMTSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H]1CCN(C)[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 76637054 572440585 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184.327 1.894 10 0 ADAERP C(C[NH2+]CCC1CC1)C[NH2+]C1CC1 83895498 572440966 /nfs/dbraw/zinc/44/09/66/572440966.db2.gz ZZJUASXNJLQHHF-UHFFFAOYSA-N 2 0 182.311 1.518 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CC1 83895505 572441011 /nfs/dbraw/zinc/44/10/11/572441011.db2.gz XSBCUGOCEJRPQV-KOLCDFICSA-N 2 0 182.311 1.232 10 0 ADAERP C[NH+](C)CC[C@H]1[C@H](C[NH3+])C12CCCC2 76637045 572441029 /nfs/dbraw/zinc/44/10/29/572441029.db2.gz CUNQQSPMUSEMBO-QWRGUYRKSA-N 2 0 196.338 1.703 10 0 ADAERP C1CC[NH2+][C@H](C[NH2+]CCC2CC2)CC1 83895445 572441089 /nfs/dbraw/zinc/44/10/89/572441089.db2.gz NACRZOKHBODBLY-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CC(C1CC1)C1CC1 83895532 572441630 /nfs/dbraw/zinc/44/16/30/572441630.db2.gz NLOYDDLEEWXPQI-MRVPVSSYSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CC1 83895506 572441639 /nfs/dbraw/zinc/44/16/39/572441639.db2.gz XSBCUGOCEJRPQV-ONGXEEELSA-N 2 0 182.311 1.232 10 0 ADAERP CC[C@@]1(C[NH2+]CCC2CC2)CC[NH2+]C1 83895475 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0 197.326 1.680 10 0 ADAERP Cc1cc2c(o1)C[N@H+](C)C[C@H]2CC[NH3+] 76636096 572442238 /nfs/dbraw/zinc/44/22/38/572442238.db2.gz GQTKYEDWHISMNG-SECBINFHSA-N 2 0 194.278 1.466 10 0 ADAERP CC[NH2+]CC[C@H]1CC[C@H](CC)C[NH2+]1 238241193 572442189 /nfs/dbraw/zinc/44/21/89/572442189.db2.gz BQQDZFBXFPTUNI-WDEREUQCSA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CCC2CC2)[C@@H](C)C1 83895138 572442486 /nfs/dbraw/zinc/44/24/86/572442486.db2.gz NFEAKAVNDMWKME-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+][C@H]1CCCC[C@H]1C[NH2+]CCC1CC1 83895306 572442662 /nfs/dbraw/zinc/44/26/62/572442662.db2.gz OTDVPPZPBASQFO-RYUDHWBXSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1C[NH2+]CCC1CC1 83895346 572442702 /nfs/dbraw/zinc/44/27/02/572442702.db2.gz XMQVCFMQBIUECZ-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]CCC1CC1 83895310 572442788 /nfs/dbraw/zinc/44/27/88/572442788.db2.gz AOAMXAAMBXRFEB-VIFPVBQESA-N 2 0 170.300 1.361 10 0 ADAERP 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196.338 1.988 10 0 ADAERP [NH3+]CCCC[NH2+]CC(C1CC1)C1CC1 83910938 572453694 /nfs/dbraw/zinc/45/36/94/572453694.db2.gz OAXBYMKPGUVPJX-UHFFFAOYSA-N 2 0 196.338 1.751 10 0 ADAERP [NH3+][C@H](CCC[NH+]1CCCC1)CC1CC1 74240805 572453925 /nfs/dbraw/zinc/45/39/25/572453925.db2.gz HWYCQNZHLLPNPT-GFCCVEGCSA-N 2 0 196.338 1.990 10 0 ADAERP CCSCC[NH2+]C1CC[NH2+]CC1 308030810 572453975 /nfs/dbraw/zinc/45/39/75/572453975.db2.gz IYKXBDVXYQKZCN-UHFFFAOYSA-N 2 0 188.340 1.081 10 0 ADAERP [NH3+]CC1(CC[NH2+]CCF)CCC1 308031039 572454088 /nfs/dbraw/zinc/45/40/88/572454088.db2.gz ZUCSRQULGOZTRM-UHFFFAOYSA-N 2 0 174.263 1.065 10 0 ADAERP C[C@H]([C@H]([NH3+])CC1CC1)[NH+]1CCCCC1 74240813 572454134 /nfs/dbraw/zinc/45/41/34/572454134.db2.gz DZCTWFJSJUGFOY-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP CC[NH+](CC)CC[C@@H](C)[C@H](C)[NH3+] 238247323 572454223 /nfs/dbraw/zinc/45/42/23/572454223.db2.gz HVAGGQGNCBWDNE-ZJUUUORDSA-N 2 0 172.316 1.702 10 0 ADAERP CC[C@@H]1CC[N@H+](CCC2CC2)CC[NH2+]1 83912329 572454295 /nfs/dbraw/zinc/45/42/95/572454295.db2.gz HZWBJVLLQFCZNQ-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP Cc1cocc1[C@H]([NH3+])CCC[NH+](C)C 74241368 572454338 /nfs/dbraw/zinc/45/43/38/572454338.db2.gz YOIZTPHFWFZIPP-LLVKDONJSA-N 2 0 196.294 1.930 10 0 ADAERP CCCC[C@H]1C[C@@H](C[NH+](C)C)C[NH2+]1 238245150 572454308 /nfs/dbraw/zinc/45/43/08/572454308.db2.gz ILXBGEOXNUZKKD-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH+](CC)CC[C@H](C)[C@H](C)[NH3+] 238247634 572454443 /nfs/dbraw/zinc/45/44/43/572454443.db2.gz HVAGGQGNCBWDNE-UWVGGRQHSA-N 2 0 172.316 1.702 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@H](C[NH3+])C2CCC2)C1 250554279 572454595 /nfs/dbraw/zinc/45/45/95/572454595.db2.gz AUCBDCBXABSFII-NWDGAFQWSA-N 2 0 196.338 1.703 10 0 ADAERP Cc1cocc1[C@@H]([NH3+])CCC[NH+](C)C 74241369 572454608 /nfs/dbraw/zinc/45/46/08/572454608.db2.gz YOIZTPHFWFZIPP-NSHDSACASA-N 2 0 196.294 1.930 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC2CCCC2)C1 74240835 572454614 /nfs/dbraw/zinc/45/46/14/572454614.db2.gz OCZFMOPORYIQHK-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH+](C)CCC[C@H]([NH3+])Cc1ccco1 74241320 572454644 /nfs/dbraw/zinc/45/46/44/572454644.db2.gz SSYVYSADKLBKKS-JTQLQIEISA-N 2 0 196.294 1.491 10 0 ADAERP CC[N@H+](CCC1CC1)C[C@H](C)C[NH3+] 83926204 572454663 /nfs/dbraw/zinc/45/46/63/572454663.db2.gz BDGWDVSEHUSSGJ-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC[NH+](CC)CC[C@@H](C)[C@@H](C)[NH3+] 238247313 572454798 /nfs/dbraw/zinc/45/47/98/572454798.db2.gz HVAGGQGNCBWDNE-NXEZZACHSA-N 2 0 172.316 1.702 10 0 ADAERP [NH3+]C[C@H]1CCC[N@H+](CCC2CC2)C1 83926240 572455077 /nfs/dbraw/zinc/45/50/77/572455077.db2.gz RLOVIICKOSIBNO-LLVKDONJSA-N 2 0 182.311 1.457 10 0 ADAERP CC[N@H+](CCC1CC1)C[C@@H](C)C[NH3+] 83926203 572455121 /nfs/dbraw/zinc/45/51/21/572455121.db2.gz BDGWDVSEHUSSGJ-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP [NH3+]CC1CC[NH+](CCC2CC2)CC1 83926242 572455151 /nfs/dbraw/zinc/45/51/51/572455151.db2.gz QRGTWDSJPUMAOE-UHFFFAOYSA-N 2 0 182.311 1.457 10 0 ADAERP 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WZQVVUWKVUGLNK-VIFPVBQESA-N 2 0 190.356 1.409 10 0 ADAERP C[NH2+][C@@H](C)C[C@@H]1CC[N@H+](CC(C)C)C1 250592501 572485482 /nfs/dbraw/zinc/48/54/82/572485482.db2.gz LOCMQIWCLSQEHS-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH+](CC)CCSC[C@@H](C)[NH3+] 84060555 572485562 /nfs/dbraw/zinc/48/55/62/572485562.db2.gz WZQVVUWKVUGLNK-SECBINFHSA-N 2 0 190.356 1.409 10 0 ADAERP C[N@@H+]1CCC[C@H](C[C@H]2CC[NH2+]C2)C1 250588851 572485701 /nfs/dbraw/zinc/48/57/01/572485701.db2.gz HBXXKJFGQSNIRG-GHMZBOCLSA-N 2 0 182.311 1.328 10 0 ADAERP C[N@@H+]1CCC[C@@H](C[C@H]2CC[NH2+]C2)C1 250588852 572485863 /nfs/dbraw/zinc/48/58/63/572485863.db2.gz HBXXKJFGQSNIRG-MNOVXSKESA-N 2 0 182.311 1.328 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@]2([NH3+])C[C@@H]3C[C@@H]3C2)C1 250582034 572485879 /nfs/dbraw/zinc/48/58/79/572485879.db2.gz GCPZKJDZEORMEW-KXNHARMFSA-N 2 0 194.322 1.456 10 0 ADAERP CC[C@@H](CC[NH2+]C)C1CC[NH+](C)CC1 238264323 572486061 /nfs/dbraw/zinc/48/60/61/572486061.db2.gz AYLLMJNLGZOBBJ-NSHDSACASA-N 2 0 198.354 1.964 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C2CCC2)C1 250589763 572486157 /nfs/dbraw/zinc/48/61/57/572486157.db2.gz HGELBIWZJDZEOC-WDEREUQCSA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1CC[C@H]1[C@H](CC[NH3+])C1CCC1 250586832 572486355 /nfs/dbraw/zinc/48/63/55/572486355.db2.gz GTOSGKLYXKANAK-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[NH2+]C[C@H](C)C[N@@H+]1C[C@@H](C)CC[C@@H]1C 84051301 572486356 /nfs/dbraw/zinc/48/63/56/572486356.db2.gz MVQLRNKLHQJOBY-SRVKXCTJSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@@H](C)C[C@H]1CC[N@H+](CC(C)C)C1 250592499 572486667 /nfs/dbraw/zinc/48/66/67/572486667.db2.gz LOCMQIWCLSQEHS-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])C2CCC2)C1 250594612 572486794 /nfs/dbraw/zinc/48/67/94/572486794.db2.gz IIJNVCYWKXIHHH-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CC[C@@H]2CC[C@@H]([NH3+])C[C@@H]2CC1 250596464 572489539 /nfs/dbraw/zinc/48/95/39/572489539.db2.gz IVHFDTDXDBPYGB-GARJFASQSA-N 2 0 182.311 1.456 10 0 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CC(C)[C@H]1C[N@H+](C)[C@H]2CCC[C@H]2C[NH2+]1 250581541 572487441 /nfs/dbraw/zinc/48/74/41/572487441.db2.gz VOBYQMWAXKZAKH-TUAOUCFPSA-N 2 0 196.338 1.715 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1CC1CC1 250582353 572487491 /nfs/dbraw/zinc/48/74/91/572487491.db2.gz GFCYBQCFIFQVQS-VHSXEESVSA-N 2 0 168.284 1.066 10 0 ADAERP C[N@@H+]1CC[C@@H]1[C@H](CC[NH3+])C1CCC1 250586828 572487568 /nfs/dbraw/zinc/48/75/68/572487568.db2.gz GTOSGKLYXKANAK-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CC[C@@H]1[C@H](C[NH3+])C1CCCCC1 250602666 572489392 /nfs/dbraw/zinc/48/93/92/572489392.db2.gz KNHDKPXKWVZIOB-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]C[C@H](C)C[N@@H+]1C[C@H](C)CC[C@H]1C 84051308 572487737 /nfs/dbraw/zinc/48/77/37/572487737.db2.gz MVQLRNKLHQJOBY-GRYCIOLGSA-N 2 0 198.354 1.962 10 0 ADAERP C[N@@H+]1CC[C@@H](c2ccco2)[C@@H](C[NH3+])C1 250580326 572487873 /nfs/dbraw/zinc/48/78/73/572487873.db2.gz FYIYTFXRISYBIS-VHSXEESVSA-N 2 0 194.278 1.274 10 0 ADAERP 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572488246 /nfs/dbraw/zinc/48/82/46/572488246.db2.gz MSWPUTOKDAHNSV-UHFFFAOYSA-N 2 0 190.356 1.281 10 0 ADAERP C[N@H+]1CC[C@H]2C[C@H]([NH3+])C[C@H]2CC1 250586793 572488553 /nfs/dbraw/zinc/48/85/53/572488553.db2.gz GTHOHGYIUXZKMM-ILWJIGKKSA-N 2 0 168.284 1.066 10 0 ADAERP C[N@@H+]1C[C@H](C[NH3+])[C@@H]2CCCCC[C@@H]2C1 250609971 572489487 /nfs/dbraw/zinc/48/94/87/572489487.db2.gz MIPJUTFTIVUPJX-GRYCIOLGSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])C1CC1 250603084 572488953 /nfs/dbraw/zinc/48/89/53/572488953.db2.gz KOYLRLVJPITBOV-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C2CCCC2)C1 250604117 572489148 /nfs/dbraw/zinc/48/91/48/572489148.db2.gz KUIPMOLHXTYTOG-VXGBXAGGSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@@H+]1CCC[C@@H]1[C@H](C[NH3+])C1CCC1 250600991 572489185 /nfs/dbraw/zinc/48/91/85/572489185.db2.gz KBXLUILZZRFTAQ-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1C[C@H](CC[NH3+])[C@@H]2CCCCC[C@H]21 250609525 572489196 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183.299 1.433 10 0 ADAERP C[N@@H+]1CCCC[C@]12CC[C@@H](C[NH3+])C2 250638749 572501400 /nfs/dbraw/zinc/50/14/00/572501400.db2.gz SOYAYBOCRPNZHN-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2cccnc2)C1 250639194 572501487 /nfs/dbraw/zinc/50/14/87/572501487.db2.gz SRFAPWFJDACQSO-MNOVXSKESA-N 2 0 191.278 1.033 10 0 ADAERP C[C@@H]1CN(Cc2ccco2)CCC[NH2+]1 62567787 572501814 /nfs/dbraw/zinc/50/18/14/572501814.db2.gz WREBIVUJHSTLCD-SNVBAGLBSA-N 2 0 194.278 1.463 10 0 ADAERP C[N@@H+]1CCC[C@@H](CC[C@H]2CC[NH2+]C2)C1 250639225 572503033 /nfs/dbraw/zinc/50/30/33/572503033.db2.gz SRRYDCWMIVAYFA-RYUDHWBXSA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)CC[NH3+] 84125291 572501907 /nfs/dbraw/zinc/50/19/07/572501907.db2.gz MNGGPXYYSSIXFX-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP C/C=C/C=C/C[N@@H+]1CC[C@H](C[NH3+])C1 308042797 572502360 /nfs/dbraw/zinc/50/23/60/572502360.db2.gz DDCBIBWGBQWOSW-WANFKSSISA-N 2 0 180.295 1.399 10 0 ADAERP 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VBTWVQZKHSIINS-VHSXEESVSA-N 2 0 180.295 1.080 10 0 ADAERP C[N@@H+]1CCC[C@H](CC[NH3+])[C@H]2CCC[C@H]21 250644937 572511646 /nfs/dbraw/zinc/51/16/46/572511646.db2.gz VAIOKZGJFFVKQX-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+]C/C=C/C[NH3+] 308045070 572511505 /nfs/dbraw/zinc/51/15/05/572511505.db2.gz OZSLVFHNVQUHBV-NWALNABHSA-N 2 0 168.284 1.280 10 0 ADAERP CCC(CC)[NH2+]CC(C)(C)[NH2+]C 308045058 572511511 /nfs/dbraw/zinc/51/15/11/572511511.db2.gz OYQVQCZCEQGIHI-UHFFFAOYSA-N 2 0 172.316 1.763 10 0 ADAERP C[N@@H+]1CCC[C@H](CC[C@H]2CCC[NH2+]2)C1 250645772 572511622 /nfs/dbraw/zinc/51/16/22/572511622.db2.gz VHIQWRCTJHDTCN-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP C[N@@H+]1CCC[C@@H]1C[C@H]1CCC[NH2+]1 250648767 572511767 /nfs/dbraw/zinc/51/17/67/572511767.db2.gz WCUYLHMSVNBJQM-NXEZZACHSA-N 2 0 168.284 1.223 10 0 ADAERP C[NH2+]C1CC[NH+]([C@H]2CC2(C)C)CC1 45135294 572511777 /nfs/dbraw/zinc/51/17/77/572511777.db2.gz ALGHBKZAEWEZCR-JTQLQIEISA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H](CCCC[NH3+])[NH2+]CC(F)F 308045114 572511874 /nfs/dbraw/zinc/51/18/74/572511874.db2.gz PCQBDTVTFQDLTD-ZETCQYMHSA-N 2 0 180.242 1.359 10 0 ADAERP C[N@@H+]1CC[C@@H]([C@H](CC[NH3+])C2CCC2)C1 250648399 572511981 /nfs/dbraw/zinc/51/19/81/572511981.db2.gz WBODBYVQCBMZOD-VXGBXAGGSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1c1ccco1 250648858 572512005 /nfs/dbraw/zinc/51/20/05/572512005.db2.gz WDQCGUPQEVAGDR-BDAKNGLRSA-N 2 0 180.251 1.231 10 0 ADAERP CCC(CC)[NH2+][C@H]1CCC[C@H]1C[NH3+] 84217358 572512226 /nfs/dbraw/zinc/51/22/26/572512226.db2.gz IFBYUIMPLHMDIR-ONGXEEELSA-N 2 0 184.327 1.892 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]C/C=C\C[NH3+] 308045072 572512660 /nfs/dbraw/zinc/51/26/60/572512660.db2.gz OZSLVFHNVQUHBV-ZBJFTSOASA-N 2 0 168.284 1.280 10 0 ADAERP CC[C@H](C[NH2+]CCC[NH3+])CC(C)C 308044972 572512688 /nfs/dbraw/zinc/51/26/88/572512688.db2.gz AOTKBRMXKCXVRI-NSHDSACASA-N 2 0 186.343 1.997 10 0 ADAERP C[N@@H+]1CCC[C@H](CC[NH3+])[C@@H]2CCC[C@@H]21 250644938 572512953 /nfs/dbraw/zinc/51/29/53/572512953.db2.gz VAIOKZGJFFVKQX-WOPDTQHZSA-N 2 0 196.338 1.846 10 0 ADAERP C[N@@H+]1CCC[C@@H](CC[C@H]2CCC[NH2+]2)C1 250645770 572513161 /nfs/dbraw/zinc/51/31/61/572513161.db2.gz VHIQWRCTJHDTCN-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]C/C=C/C[NH3+] 308045069 572513200 /nfs/dbraw/zinc/51/32/00/572513200.db2.gz OZSLVFHNVQUHBV-CDAZIORVSA-N 2 0 168.284 1.280 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 45137768 572515512 /nfs/dbraw/zinc/51/55/12/572515512.db2.gz HBHAOKSDFOUNCH-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84217352 572513344 /nfs/dbraw/zinc/51/33/44/572513344.db2.gz IFBYUIMPLHMDIR-MWLCHTKSSA-N 2 0 184.327 1.892 10 0 ADAERP C[N@@H+]1C[C@H](C[NH3+])C[C@H]1c1ccco1 250648861 572513419 /nfs/dbraw/zinc/51/34/19/572513419.db2.gz WDQCGUPQEVAGDR-IUCAKERBSA-N 2 0 180.251 1.231 10 0 ADAERP CCC[N@@H+]1CCC[C@@H](C[NH2+]CC)C1 53654018 572513366 /nfs/dbraw/zinc/51/33/66/572513366.db2.gz RZMWYVVSOCGDEI-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP C[C@H](CCCC[NH3+])[NH2+]CC(F)F 308045108 572513629 /nfs/dbraw/zinc/51/36/29/572513629.db2.gz PCQBDTVTFQDLTD-SSDOTTSWSA-N 2 0 180.242 1.359 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])C[C@H]1C1CCC1 250645337 572513644 /nfs/dbraw/zinc/51/36/44/572513644.db2.gz VCVMONFMAFLIBX-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP CC[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 53654009 572513684 /nfs/dbraw/zinc/51/36/84/572513684.db2.gz OMKRREGJULSDNL-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 53654458 572513798 /nfs/dbraw/zinc/51/37/98/572513798.db2.gz LMOURMAZBOCRKA-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)(C)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 250675220 572514221 /nfs/dbraw/zinc/51/42/21/572514221.db2.gz ATOAWXHHQSWSRC-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP CCC[N@@H+]1CCC[C@H](C[NH2+]CC)C1 53654014 572514441 /nfs/dbraw/zinc/51/44/41/572514441.db2.gz RZMWYVVSOCGDEI-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 250677932 572514477 /nfs/dbraw/zinc/51/44/77/572514477.db2.gz CCWZOGPXNCIVMI-VHSXEESVSA-N 2 0 184.327 1.559 10 0 ADAERP CC[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 53654013 572514524 /nfs/dbraw/zinc/51/45/24/572514524.db2.gz OMKRREGJULSDNL-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC1CCC([NH3+])CC1 45137994 572514647 /nfs/dbraw/zinc/51/46/47/572514647.db2.gz UXXULUWZUHHVOB-ILDUYXDCSA-N 2 0 196.338 1.892 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C(C)(C)C)C1 250677926 572514651 /nfs/dbraw/zinc/51/46/51/572514651.db2.gz CCWZOGPXNCIVMI-UWVGGRQHSA-N 2 0 184.327 1.559 10 0 ADAERP C=COCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84218281 572515229 /nfs/dbraw/zinc/51/52/29/572515229.db2.gz OYERGMAQRRAYQZ-GHMZBOCLSA-N 2 0 198.310 1.254 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 45137766 572514803 /nfs/dbraw/zinc/51/48/03/572514803.db2.gz HBHAOKSDFOUNCH-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 45137718 572514814 /nfs/dbraw/zinc/51/48/14/572514814.db2.gz PZKSCLKNFWOSAW-SNVBAGLBSA-N 2 0 182.311 1.374 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]2CCCC[C@H]21 250647048 572514865 /nfs/dbraw/zinc/51/48/65/572514865.db2.gz VQJLSLGPKBYIFG-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 45137770 572514997 /nfs/dbraw/zinc/51/49/97/572514997.db2.gz HBHAOKSDFOUNCH-VHSXEESVSA-N 2 0 182.311 1.374 10 0 ADAERP CC[NH2+]C[C@@H]1CCC[N@@H+]1CC(C)C 53648443 572515145 /nfs/dbraw/zinc/51/51/45/572515145.db2.gz CNRFKMIVTQHANE-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@@H]1CC1(C)C 45137931 572515192 /nfs/dbraw/zinc/51/51/92/572515192.db2.gz BRGNORQCKMSQKJ-HTQZYQBOSA-N 2 0 156.273 1.112 10 0 ADAERP C=COCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84218285 572515246 /nfs/dbraw/zinc/51/52/46/572515246.db2.gz OYERGMAQRRAYQZ-MNOVXSKESA-N 2 0 198.310 1.254 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@H]1CC1(C)C 45137935 572515312 /nfs/dbraw/zinc/51/53/12/572515312.db2.gz BRGNORQCKMSQKJ-SFYZADRCSA-N 2 0 156.273 1.112 10 0 ADAERP C=COCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 84218289 572515356 /nfs/dbraw/zinc/51/53/56/572515356.db2.gz OYERGMAQRRAYQZ-WDEREUQCSA-N 2 0 198.310 1.254 10 0 ADAERP CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 53654454 572515410 /nfs/dbraw/zinc/51/54/10/572515410.db2.gz LMOURMAZBOCRKA-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP C=COCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 84218293 572515418 /nfs/dbraw/zinc/51/54/18/572515418.db2.gz OYERGMAQRRAYQZ-QWRGUYRKSA-N 2 0 198.310 1.254 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 45137764 572515431 /nfs/dbraw/zinc/51/54/31/572515431.db2.gz HBHAOKSDFOUNCH-ZJUUUORDSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 45137716 572515457 /nfs/dbraw/zinc/51/54/57/572515457.db2.gz PZKSCLKNFWOSAW-JTQLQIEISA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)([NH3+])C[NH2+][C@@H]1CC1(C)C 45137802 572515495 /nfs/dbraw/zinc/51/54/95/572515495.db2.gz FTKUJSGLVQZJSW-SSDOTTSWSA-N 2 0 156.273 1.112 10 0 ADAERP C[N@H+]1C[C@H](C(C)(C)C)[C@H](C[NH3+])C1 250684264 572515573 /nfs/dbraw/zinc/51/55/73/572515573.db2.gz FXGZZRXRFZDZFF-BDAKNGLRSA-N 2 0 170.300 1.169 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 45137669 572515640 /nfs/dbraw/zinc/51/56/40/572515640.db2.gz ZMLHVFAJOCQFKL-VIFPVBQESA-N 2 0 182.311 1.646 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1CC[C@@H]1C 308051718 572515685 /nfs/dbraw/zinc/51/56/85/572515685.db2.gz SJBBFKSNPMEFHI-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)([NH3+])C[NH2+][C@H]1CC1(C)C 45137800 572515753 /nfs/dbraw/zinc/51/57/53/572515753.db2.gz FTKUJSGLVQZJSW-ZETCQYMHSA-N 2 0 156.273 1.112 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC1([NH3+])CCCC1 45137671 572515863 /nfs/dbraw/zinc/51/58/63/572515863.db2.gz ZMLHVFAJOCQFKL-SECBINFHSA-N 2 0 182.311 1.646 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1CC[C@H]1C 308051703 572515872 /nfs/dbraw/zinc/51/58/72/572515872.db2.gz SJBBFKSNPMEFHI-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H]1CC1(C)C 45137933 572515995 /nfs/dbraw/zinc/51/59/95/572515995.db2.gz BRGNORQCKMSQKJ-YUMQZZPRSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]([NH3+])CC[NH2+][C@H]1CC1(C)C 45137941 572516018 /nfs/dbraw/zinc/51/60/18/572516018.db2.gz BWBQQDCCWVBAJI-YUMQZZPRSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CC1(C)C 45137929 572516117 /nfs/dbraw/zinc/51/61/17/572516117.db2.gz BRGNORQCKMSQKJ-JGVFFNPUSA-N 2 0 156.273 1.112 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]2CCCC[C@@H]21 250647050 572516257 /nfs/dbraw/zinc/51/62/57/572516257.db2.gz VQJLSLGPKBYIFG-WOPDTQHZSA-N 2 0 196.338 1.846 10 0 ADAERP CC[NH2+]C[C@@H]1CCC[N@@H+]1CC1CC1 53648591 572516319 /nfs/dbraw/zinc/51/63/19/572516319.db2.gz AIAXCMPHWFDDCZ-NSHDSACASA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@@]1(C[NH+](C)C)CCC[NH2+]C1 62861816 572516497 /nfs/dbraw/zinc/51/64/97/572516497.db2.gz HFMMDEFEWWUARF-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP C[C@H](CCCC[NH3+])[N@H+](C)C1CC1 308051797 572516369 /nfs/dbraw/zinc/51/63/69/572516369.db2.gz SJFXBEIUNDBQGS-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 250684268 572516419 /nfs/dbraw/zinc/51/64/19/572516419.db2.gz FXGZZRXRFZDZFF-RKDXNWHRSA-N 2 0 170.300 1.169 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]2CCCC[C@H]21 250647047 572516427 /nfs/dbraw/zinc/51/64/27/572516427.db2.gz VQJLSLGPKBYIFG-GRYCIOLGSA-N 2 0 196.338 1.846 10 0 ADAERP CCC[C@]1(C[NH+](C)C)CCC[NH2+]C1 62861819 572516450 /nfs/dbraw/zinc/51/64/50/572516450.db2.gz NSSRSBPARJHHPF-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP C[N@H+]1CC[C@H](C(C)(C)C)[C@H](C[NH3+])CC1 250685708 572516616 /nfs/dbraw/zinc/51/66/16/572516616.db2.gz GRXKOGWYISBDRL-QWRGUYRKSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[NH2+]C[C@]1(CC)CCC[NH2+]C1 62862205 572516639 /nfs/dbraw/zinc/51/66/39/572516639.db2.gz RNJJZTFMJKZOJR-NSHDSACASA-N 2 0 184.327 1.766 10 0 ADAERP CC[C@]1(C[NH+](C)C)CCC[NH2+]C1 62861815 572516720 /nfs/dbraw/zinc/51/67/20/572516720.db2.gz HFMMDEFEWWUARF-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@H]1CC[C@@H]1C 308051709 572516784 /nfs/dbraw/zinc/51/67/84/572516784.db2.gz SJBBFKSNPMEFHI-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C 238280627 572517130 /nfs/dbraw/zinc/51/71/30/572517130.db2.gz NAVKRCMSHOBODN-UWVGGRQHSA-N 2 0 170.300 1.517 10 0 ADAERP CC[C@H]([NH3+])c1cn2c(C)c(C)[nH+]c2[nH]1 74268795 572517254 /nfs/dbraw/zinc/51/72/54/572517254.db2.gz XKLORYQLSJMAMC-QMMMGPOBSA-N 2 0 192.266 1.689 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 62867926 572517490 /nfs/dbraw/zinc/51/74/90/572517490.db2.gz DUPDMTUEZFNLBT-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 62867924 572517616 /nfs/dbraw/zinc/51/76/16/572517616.db2.gz DUPDMTUEZFNLBT-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)[C@@H]([NH3+])C[C@@H]1CCC[NH2+]1 210865605 572517762 /nfs/dbraw/zinc/51/77/62/572517762.db2.gz ZPCSGJOSNWJZKX-IUCAKERBSA-N 2 0 156.273 1.112 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1[C@@H]([NH3+])C1CCCC1 250650443 572517966 /nfs/dbraw/zinc/51/79/66/572517966.db2.gz WNZKMDRONJVZLL-NEPJUHHUSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H]([NH3+])c1cn2c(C)c(C)[nH+]c2[nH]1 74268797 572517972 /nfs/dbraw/zinc/51/79/72/572517972.db2.gz XKLORYQLSJMAMC-MRVPVSSYSA-N 2 0 192.266 1.689 10 0 ADAERP CCC[NH2+]C[C@@]1(CC)CCC[NH2+]C1 62862206 572518157 /nfs/dbraw/zinc/51/81/57/572518157.db2.gz RNJJZTFMJKZOJR-LLVKDONJSA-N 2 0 184.327 1.766 10 0 ADAERP CC1(C[NH+]2CCCCC2)CC[NH2+]CC1 62841655 572518596 /nfs/dbraw/zinc/51/85/96/572518596.db2.gz KGYDFGDJYNGMRK-UHFFFAOYSA-N 2 0 196.338 1.862 10 0 ADAERP C[C@H](C[NH+](C)C)SCC(C)(C)[NH3+] 713990724 572518267 /nfs/dbraw/zinc/51/82/67/572518267.db2.gz BQNLKNUKMQKGCM-MRVPVSSYSA-N 2 0 190.356 1.407 10 0 ADAERP CC1(C)C[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 62867753 572518352 /nfs/dbraw/zinc/51/83/52/572518352.db2.gz WCEJQGDJOBUOQD-PWSUYJOCSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@@H]([NH3+])c1cn2c(C)c[nH+]c2n1C 74268787 572518358 /nfs/dbraw/zinc/51/83/58/572518358.db2.gz QXGXLEKLIHOHSV-MRVPVSSYSA-N 2 0 192.266 1.391 10 0 ADAERP CC[C@H]([NH3+])c1[nH]c2[nH+]cc(C)n2c1C 74268781 572518378 /nfs/dbraw/zinc/51/83/78/572518378.db2.gz YZZBZTYHDUJQEH-QMMMGPOBSA-N 2 0 192.266 1.689 10 0 ADAERP C[N@H+](CC1(C)CC[NH2+]CC1)C1CC1 62841678 572518484 /nfs/dbraw/zinc/51/84/84/572518484.db2.gz FKESLPUSOHCGRY-UHFFFAOYSA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@H]([NH3+])c1cn2c(C)c[nH+]c2n1C 74268786 572518568 /nfs/dbraw/zinc/51/85/68/572518568.db2.gz QXGXLEKLIHOHSV-QMMMGPOBSA-N 2 0 192.266 1.391 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 250649557 572519700 /nfs/dbraw/zinc/51/97/00/572519700.db2.gz LMEYLQJLUXZOGF-UTUOFQBUSA-N 2 0 196.338 1.751 10 0 ADAERP C[N@@H+]1CC[C@H](CC[NH3+])[C@H]2CCC[C@H]21 250650956 572519065 /nfs/dbraw/zinc/51/90/65/572519065.db2.gz WSVDMDRSCURFED-HBNTYKKESA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CC[C@H](CC[NH3+])[C@@H]2CCC[C@@H]21 250650951 572519481 /nfs/dbraw/zinc/51/94/81/572519481.db2.gz WSVDMDRSCURFED-DCAQKATOSA-N 2 0 182.311 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/nfs/dbraw/zinc/52/23/14/572522314.db2.gz XLOIFQFBJYLEMG-SDDRHHMPSA-N 2 0 196.338 1.846 10 0 ADAERP C[N@@H+]1CCC[C@@]2(CC[C@@H](C[NH3+])C2)C1 250657742 572522433 /nfs/dbraw/zinc/52/24/33/572522433.db2.gz YDRWIDBMGBYDTK-MNOVXSKESA-N 2 0 182.311 1.457 10 0 ADAERP [NH3+]CCC[NH+]1CCC2(CCCC2)CC1 62952318 572522485 /nfs/dbraw/zinc/52/24/85/572522485.db2.gz UGAPWYAACDPDRS-UHFFFAOYSA-N 2 0 196.338 1.991 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@H]2C1 250662785 572522539 /nfs/dbraw/zinc/52/25/39/572522539.db2.gz ZBSMFTHVNDLXSC-MXWKQRLJSA-N 2 0 182.311 1.313 10 0 ADAERP Cc1ccc(NCCCC[NH3+])cn1 62950641 572522560 /nfs/dbraw/zinc/52/25/60/572522560.db2.gz VWYHIVCTMMOPSF-UHFFFAOYSA-N 2 0 179.267 1.541 10 0 ADAERP C[N@@H+]1CC[C@H]1[C@H](CC[NH3+])C1CCCC1 250656234 572522768 /nfs/dbraw/zinc/52/27/68/572522768.db2.gz XWXDGYOQLTUBLA-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)(C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 250698735 572522818 /nfs/dbraw/zinc/52/28/18/572522818.db2.gz NFQMGDALKSLMLK-ZJUUUORDSA-N 2 0 182.311 1.326 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](c2cccs2)C1 250658642 572522844 /nfs/dbraw/zinc/52/28/44/572522844.db2.gz YHBABXSLIUPQBQ-DTWKUNHWSA-N 2 0 196.319 1.495 10 0 ADAERP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1c1ccccc1 250665864 572522869 /nfs/dbraw/zinc/52/28/69/572522869.db2.gz ZRZBICJEHYJQOR-USZNOCQGSA-N 2 0 188.274 1.246 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H](C[NH3+])C2CCC2)C1 250664840 572522935 /nfs/dbraw/zinc/52/29/35/572522935.db2.gz ZMURIYCRVWOOLA-WDEREUQCSA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@H]21 250653040 572522976 /nfs/dbraw/zinc/52/29/76/572522976.db2.gz XFIVEHIVTCHBMA-OPRDCNLKSA-N 2 0 168.284 1.066 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@H]2CC3(CC3)C[NH2+]2)C1 250656035 572523059 /nfs/dbraw/zinc/52/30/59/572523059.db2.gz XUKRGRKARGIVNV-GHMZBOCLSA-N 2 0 194.322 1.470 10 0 ADAERP CCC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 62992127 572523118 /nfs/dbraw/zinc/52/31/18/572523118.db2.gz NJKWLQBQTIXSFG-SECBINFHSA-N 2 0 183.299 1.305 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C2CC2)CC1 250652402 572523165 /nfs/dbraw/zinc/52/31/65/572523165.db2.gz WZSMZZLSCUDCIE-GHMZBOCLSA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1CC[C@H](CC[NH3+])[C@H]2CCCC[C@H]21 250654283 572523187 /nfs/dbraw/zinc/52/31/87/572523187.db2.gz XLOIFQFBJYLEMG-QJPTWQEYSA-N 2 0 196.338 1.846 10 0 ADAERP CCCC(=[NH2+])N[C@H]1CC[N@@H+]2CCC[C@H]12 62992611 572523245 /nfs/dbraw/zinc/52/32/45/572523245.db2.gz ZSOCJEIQLHKEKY-VHSXEESVSA-N 2 0 195.310 1.590 10 0 ADAERP C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C1CCCC1 250664751 572523258 /nfs/dbraw/zinc/52/32/58/572523258.db2.gz ZMIRZHKKQKQBJO-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 62992130 572523285 /nfs/dbraw/zinc/52/32/85/572523285.db2.gz YVWWEEABUZAHDS-JTQLQIEISA-N 2 0 197.326 1.551 10 0 ADAERP C[N@@H+]1CC[C@H](c2ccco2)[C@H]1CC[NH3+] 250664638 572523292 /nfs/dbraw/zinc/52/32/92/572523292.db2.gz ZKVDNCACHFBCTD-VHSXEESVSA-N 2 0 194.278 1.416 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C1 250662783 572523310 /nfs/dbraw/zinc/52/33/10/572523310.db2.gz ZBSMFTHVNDLXSC-GMTAPVOTSA-N 2 0 182.311 1.313 10 0 ADAERP C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C1CCCC1 250664747 572523386 /nfs/dbraw/zinc/52/33/86/572523386.db2.gz ZMIRZHKKQKQBJO-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CCC[C@H]([NH3+])[C@H]1CC1CC1 250666497 572523397 /nfs/dbraw/zinc/52/33/97/572523397.db2.gz ZWINYVGYTGHNGD-VHSXEESVSA-N 2 0 168.284 1.208 10 0 ADAERP C[N@@H+]1CCC[C@@H]2C[C@H](C[NH3+])C[C@H]21 250653039 572523429 /nfs/dbraw/zinc/52/34/29/572523429.db2.gz XFIVEHIVTCHBMA-IVZWLZJFSA-N 2 0 168.284 1.066 10 0 ADAERP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1C1CCCC1 250664078 572523511 /nfs/dbraw/zinc/52/35/11/572523511.db2.gz ZIJJOJWPZSLUAZ-VLEAKVRGSA-N 2 0 180.295 1.064 10 0 ADAERP CCCC(=[NH2+])N[C@@H]1CC[N@@H+]2CCC[C@H]12 62992610 572523791 /nfs/dbraw/zinc/52/37/91/572523791.db2.gz ZSOCJEIQLHKEKY-NXEZZACHSA-N 2 0 195.310 1.590 10 0 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C[N@@H+]1CCC[C@H]([C@H](C[NH3+])C2CC2)CC1 250652608 572524118 /nfs/dbraw/zinc/52/41/18/572524118.db2.gz XBVYRNAFKLOUKE-JQWIXIFHSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@@H+]1CC[C@H]1[C@H](CC[NH3+])C1CC1 250652981 572524150 /nfs/dbraw/zinc/52/41/50/572524150.db2.gz XCTKCXCJLPFLSU-ZJUUUORDSA-N 2 0 168.284 1.066 10 0 ADAERP C[N@@H+]1CC[C@H](CC[NH3+])[C@@H]2CCCC[C@@H]21 250654289 572524161 /nfs/dbraw/zinc/52/41/61/572524161.db2.gz XLOIFQFBJYLEMG-SRVKXCTJSA-N 2 0 196.338 1.846 10 0 ADAERP [NH2+]=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]12)C1CC1 62992615 572524185 /nfs/dbraw/zinc/52/41/85/572524185.db2.gz AEEWRXSVWUTRBL-ZJUUUORDSA-N 2 0 193.294 1.200 10 0 ADAERP CC[N@H+](C)C[C@H]1CCCC[C@@H]1C[NH3+] 84302899 572524217 /nfs/dbraw/zinc/52/42/17/572524217.db2.gz ICXYFTHLZUKPNF-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C(=[NH2+])N[C@@H](C)CC[NH+](C)C 62993297 572524303 /nfs/dbraw/zinc/52/43/03/572524303.db2.gz LOYCJIAYLFGNAR-VIFPVBQESA-N 2 0 185.315 1.549 10 0 ADAERP CC(C)C(=[NH2+])N1CC[C@@H]([NH+](C)C)C1 62994413 572524475 /nfs/dbraw/zinc/52/44/75/572524475.db2.gz CWEFBEASORMUCE-SECBINFHSA-N 2 0 183.299 1.256 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303215 572524544 /nfs/dbraw/zinc/52/45/44/572524544.db2.gz LSYNBEIKCJYFKQ-GHMZBOCLSA-N 2 0 184.327 1.750 10 0 ADAERP Cc1[nH+]cc(C[C@H]([NH3+])CC(C)C)n1C 689737302 572524608 /nfs/dbraw/zinc/52/46/08/572524608.db2.gz NATVCVCUQAHUMZ-SNVBAGLBSA-N 2 0 195.310 1.644 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C2CC2)CC1 250652404 572524620 /nfs/dbraw/zinc/52/46/20/572524620.db2.gz WZSMZZLSCUDCIE-WDEREUQCSA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1C[NH3+] 84303274 572524653 /nfs/dbraw/zinc/52/46/53/572524653.db2.gz VEQGYMYGICENEK-RYUDHWBXSA-N 2 0 198.354 1.997 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1 84303331 572524704 /nfs/dbraw/zinc/52/47/04/572524704.db2.gz RDIAPXGALYKHQD-NWDGAFQWSA-N 2 0 196.338 1.751 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303530 572524726 /nfs/dbraw/zinc/52/47/26/572524726.db2.gz NCLZXHNJEMXGDJ-WYUUTHIRSA-N 2 0 196.338 1.750 10 0 ADAERP CCC(=[NH2+])N1CC[C@@H]([NH+](C)C)C1 62994409 572524834 /nfs/dbraw/zinc/52/48/34/572524834.db2.gz FLYCGLWSGARJFT-MRVPVSSYSA-N 2 0 169.272 1.010 10 0 ADAERP CC(C)C(=[NH2+])N1CC[C@H]([NH+](C)C)C1 62994412 572524884 /nfs/dbraw/zinc/52/48/84/572524884.db2.gz CWEFBEASORMUCE-VIFPVBQESA-N 2 0 183.299 1.256 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](c2cccs2)C1 250658645 572524915 /nfs/dbraw/zinc/52/49/15/572524915.db2.gz YHBABXSLIUPQBQ-IUCAKERBSA-N 2 0 196.319 1.495 10 0 ADAERP CC(C)(C)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 250698733 572524944 /nfs/dbraw/zinc/52/49/44/572524944.db2.gz NFQMGDALKSLMLK-UWVGGRQHSA-N 2 0 182.311 1.326 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@H]1C[NH2+]C1CC1 84303254 572525073 /nfs/dbraw/zinc/52/50/73/572525073.db2.gz CAKLKUVZDHTSDN-UWVGGRQHSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCCC[C@H]1C[NH3+] 84303278 572525106 /nfs/dbraw/zinc/52/51/06/572525106.db2.gz VEQGYMYGICENEK-NWDGAFQWSA-N 2 0 198.354 1.997 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@H]1C[NH2+]C1CC1 84303261 572525108 /nfs/dbraw/zinc/52/51/08/572525108.db2.gz CAKLKUVZDHTSDN-ZJUUUORDSA-N 2 0 182.311 1.504 10 0 ADAERP C[N@@H+]1CCC[C@]12CCC[C@@H](C[NH3+])C2 250665237 572525128 /nfs/dbraw/zinc/52/51/28/572525128.db2.gz ZPDKOTAKCXOAGV-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303265 572525136 /nfs/dbraw/zinc/52/51/36/572525136.db2.gz VEQGYMYGICENEK-NEPJUHHUSA-N 2 0 198.354 1.997 10 0 ADAERP CCC[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303184 572525138 /nfs/dbraw/zinc/52/51/38/572525138.db2.gz PFJIVUJOYLONRV-GHMZBOCLSA-N 2 0 184.327 1.751 10 0 ADAERP CCC(=[NH2+])NCC1CC[NH+](C)CC1 62992958 572525281 /nfs/dbraw/zinc/52/52/81/572525281.db2.gz AQNPJBAIQVSFIG-UHFFFAOYSA-N 2 0 183.299 1.305 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303271 572525315 /nfs/dbraw/zinc/52/53/15/572525315.db2.gz VEQGYMYGICENEK-VXGBXAGGSA-N 2 0 198.354 1.997 10 0 ADAERP CC[NH2+]C[C@@H]1CCCC[C@H]1C[NH3+] 84303325 572525337 /nfs/dbraw/zinc/52/53/37/572525337.db2.gz OGOKOIBDQIAMMJ-UWVGGRQHSA-N 2 0 170.300 1.361 10 0 ADAERP [NH2+]=C(N[C@@H]1CC[N@@H+]2CCC[C@H]12)C1CC1 62992614 572525394 /nfs/dbraw/zinc/52/53/94/572525394.db2.gz AEEWRXSVWUTRBL-NXEZZACHSA-N 2 0 193.294 1.200 10 0 ADAERP CC(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 62992131 572525493 /nfs/dbraw/zinc/52/54/93/572525493.db2.gz YVWWEEABUZAHDS-SNVBAGLBSA-N 2 0 197.326 1.551 10 0 ADAERP C[C@H]1C[N@H+](C)[C@@H]2CCCC[C@H]2C[NH2+]1 250847388 572525877 /nfs/dbraw/zinc/52/58/77/572525877.db2.gz JAMGCTPZONGPGB-GARJFASQSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH+](C)[C@@H]1CCN(C(=[NH2+])C2CC2)C1 62994414 572525630 /nfs/dbraw/zinc/52/56/30/572525630.db2.gz TZOLIUFMTONVKY-SECBINFHSA-N 2 0 181.283 1.010 10 0 ADAERP C[N@H+](C[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 84302913 572525635 /nfs/dbraw/zinc/52/56/35/572525635.db2.gz UAWXFRJDSXCHNC-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP C1=C(c2c[nH]c3cc[nH+]cc23)CC[NH2+]C1 84298823 572525649 /nfs/dbraw/zinc/52/56/49/572525649.db2.gz JRKXLTJDWQDDOC-UHFFFAOYSA-N 2 0 199.257 1.940 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC1 84303251 572525723 /nfs/dbraw/zinc/52/57/23/572525723.db2.gz CAKLKUVZDHTSDN-VHSXEESVSA-N 2 0 182.311 1.504 10 0 ADAERP C[N@@H+]1CCC(C)(C)[C@@H]2C[C@@H]([NH3+])C[C@H]2C1 250814736 572525760 /nfs/dbraw/zinc/52/57/60/572525760.db2.gz WJMYWYZCOGVNLB-GARJFASQSA-N 2 0 196.338 1.702 10 0 ADAERP CCC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 62992126 572525870 /nfs/dbraw/zinc/52/58/70/572525870.db2.gz NJKWLQBQTIXSFG-VIFPVBQESA-N 2 0 183.299 1.305 10 0 ADAERP CCC(=[NH2+])N1CC[C@H]([NH+](C)C)C1 62994408 572525941 /nfs/dbraw/zinc/52/59/41/572525941.db2.gz FLYCGLWSGARJFT-QMMMGPOBSA-N 2 0 169.272 1.010 10 0 ADAERP C[NH+](C)[C@H]1CCN(C(=[NH2+])C2CC2)C1 62994415 572526016 /nfs/dbraw/zinc/52/60/16/572526016.db2.gz TZOLIUFMTONVKY-VIFPVBQESA-N 2 0 181.283 1.010 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1 84303338 572526018 /nfs/dbraw/zinc/52/60/18/572526018.db2.gz RDIAPXGALYKHQD-VXGBXAGGSA-N 2 0 196.338 1.751 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 250843716 572526231 /nfs/dbraw/zinc/52/62/31/572526231.db2.gz MQFKDPBAGONOOV-GRYCIOLGSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@H]1C[C@@H](CC[NH3+])C[C@@H](C)[N@@H+]1C 250889606 572526253 /nfs/dbraw/zinc/52/62/53/572526253.db2.gz CETGNDZWPVDOAR-MYJAWHEDSA-N 2 0 170.300 1.454 10 0 ADAERP CC1(C)CCC[N@@H+]1[C@H]1CC[C@@H](C[NH3+])C1 250813105 572526558 /nfs/dbraw/zinc/52/65/58/572526558.db2.gz VQOHYTUECLYQMS-MNOVXSKESA-N 2 0 196.338 1.988 10 0 ADAERP CC1(C)CCC[N@@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 250813102 572526325 /nfs/dbraw/zinc/52/63/25/572526325.db2.gz VQOHYTUECLYQMS-GHMZBOCLSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[NH2+]C[C@@H]1CCCC[C@H]1C[NH3+] 84303187 572526348 /nfs/dbraw/zinc/52/63/48/572526348.db2.gz PFJIVUJOYLONRV-QWRGUYRKSA-N 2 0 184.327 1.751 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC1 84303519 572526365 /nfs/dbraw/zinc/52/63/65/572526365.db2.gz RLLIXQVCNFOQMQ-QWRGUYRKSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]C[C@H]1C[C@H]2C3CC[NH+](CC3)C[C@@H]2C1 250826261 572526873 /nfs/dbraw/zinc/52/68/73/572526873.db2.gz HPGIRZWCQIMWFW-USWWRNFRSA-N 2 0 194.322 1.313 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC1 84303522 572526547 /nfs/dbraw/zinc/52/65/47/572526547.db2.gz RLLIXQVCNFOQMQ-GHMZBOCLSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1 84303334 572526573 /nfs/dbraw/zinc/52/65/73/572526573.db2.gz RDIAPXGALYKHQD-RYUDHWBXSA-N 2 0 196.338 1.751 10 0 ADAERP C[N@@H+]1CCC(C)(C)[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 250814740 572526590 /nfs/dbraw/zinc/52/65/90/572526590.db2.gz WJMYWYZCOGVNLB-GMTAPVOTSA-N 2 0 196.338 1.702 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@H]1C[NH2+]C1CCC1 84303526 572526622 /nfs/dbraw/zinc/52/66/22/572526622.db2.gz RLLIXQVCNFOQMQ-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP C[N@H+](C[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 84302910 572526636 /nfs/dbraw/zinc/52/66/36/572526636.db2.gz UAWXFRJDSXCHNC-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1C[N@H+](C)[C@H]2CCCC[C@H]2C[NH2+]1 250847386 572526766 /nfs/dbraw/zinc/52/67/66/572526766.db2.gz JAMGCTPZONGPGB-DCAQKATOSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1C[NH3+] 84303218 572527003 /nfs/dbraw/zinc/52/70/03/572527003.db2.gz LSYNBEIKCJYFKQ-QWRGUYRKSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC1 84303516 572527008 /nfs/dbraw/zinc/52/70/08/572527008.db2.gz RLLIXQVCNFOQMQ-WDEREUQCSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@@H]1C[NH2+]C1CC1 84303258 572527114 /nfs/dbraw/zinc/52/71/14/572527114.db2.gz CAKLKUVZDHTSDN-NXEZZACHSA-N 2 0 182.311 1.504 10 0 ADAERP C1CC[N@@H+]2C[C@]3(CC[NH2+]C3)C[C@H]2C1 250871820 572527117 /nfs/dbraw/zinc/52/71/17/572527117.db2.gz SOPUQMUXXDFWPY-GHMZBOCLSA-N 2 0 180.295 1.224 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 250843723 572527153 /nfs/dbraw/zinc/52/71/53/572527153.db2.gz MQFKDPBAGONOOV-WOPDTQHZSA-N 2 0 196.338 1.894 10 0 ADAERP CC[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303317 572527194 /nfs/dbraw/zinc/52/71/94/572527194.db2.gz OGOKOIBDQIAMMJ-ZJUUUORDSA-N 2 0 170.300 1.361 10 0 ADAERP CC[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] 84303319 572527472 /nfs/dbraw/zinc/52/74/72/572527472.db2.gz OGOKOIBDQIAMMJ-NXEZZACHSA-N 2 0 170.300 1.361 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303212 572527488 /nfs/dbraw/zinc/52/74/88/572527488.db2.gz LSYNBEIKCJYFKQ-MNOVXSKESA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1 250815244 572527500 /nfs/dbraw/zinc/52/75/00/572527500.db2.gz OCDODMYJWGDSLG-GDNZZTSVSA-N 2 0 190.290 1.609 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 250843721 572527519 /nfs/dbraw/zinc/52/75/19/572527519.db2.gz MQFKDPBAGONOOV-UTUOFQBUSA-N 2 0 196.338 1.894 10 0 ADAERP CCC[NH2+]C[C@H]1CCCC[C@H]1C[NH3+] 84303191 572527535 /nfs/dbraw/zinc/52/75/35/572527535.db2.gz PFJIVUJOYLONRV-WDEREUQCSA-N 2 0 184.327 1.751 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@H]1C[NH2+]CC1CC1 84303342 572527583 /nfs/dbraw/zinc/52/75/83/572527583.db2.gz RDIAPXGALYKHQD-NEPJUHHUSA-N 2 0 196.338 1.751 10 0 ADAERP C[N@@H+]1CCC(C)(C)[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 250814746 572527616 /nfs/dbraw/zinc/52/76/16/572527616.db2.gz WJMYWYZCOGVNLB-OUAUKWLOSA-N 2 0 196.338 1.702 10 0 ADAERP CC[NH2+]C[C@H]1CCCC[C@H]1C[NH3+] 84303326 572527727 /nfs/dbraw/zinc/52/77/27/572527727.db2.gz OGOKOIBDQIAMMJ-VHSXEESVSA-N 2 0 170.300 1.361 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 250843719 572527803 /nfs/dbraw/zinc/52/78/03/572527803.db2.gz MQFKDPBAGONOOV-IJLUTSLNSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@H]1C[N@H+](C)[C@H]2CCC[C@H]2C[NH2+]1 250848568 572527856 /nfs/dbraw/zinc/52/78/56/572527856.db2.gz KJNPOXFIUORPDT-GUBZILKMSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@H]1C[C@H](CC[NH3+])C[C@@H](C)[N@@H+]1C 250889605 572528015 /nfs/dbraw/zinc/52/80/15/572528015.db2.gz CETGNDZWPVDOAR-ILWJIGKKSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]1C[C@]2(CC[NH2+]C2)C[C@@H](C)[N@@H+]1C 250890137 572528023 /nfs/dbraw/zinc/52/80/23/572528023.db2.gz COGBUDNDEGPHLR-URLYPYJESA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH2+]C1CCC1 84312506 572528094 /nfs/dbraw/zinc/52/80/94/572528094.db2.gz MDPLYIVGSZLDMB-VHSXEESVSA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH2+]CC1CC1 84312096 572528154 /nfs/dbraw/zinc/52/81/54/572528154.db2.gz IZMRNZJGTGCQTJ-GHMZBOCLSA-N 2 0 182.311 1.361 10 0 ADAERP C1CC[N@@H+]2C[C@@]3(CC[NH2+]C3)C[C@H]2C1 250871823 572528159 /nfs/dbraw/zinc/52/81/59/572528159.db2.gz SOPUQMUXXDFWPY-MNOVXSKESA-N 2 0 180.295 1.224 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH2+]CCC1CC1 84312947 572528165 /nfs/dbraw/zinc/52/81/65/572528165.db2.gz IJOYSXNSPATALO-RYUDHWBXSA-N 2 0 196.338 1.751 10 0 ADAERP C1CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)[C@H]2C1 250860908 572528240 /nfs/dbraw/zinc/52/82/40/572528240.db2.gz QFFAWKDAZFWKDR-NEPJUHHUSA-N 2 0 194.322 1.614 10 0 ADAERP CC(=[NH2+])N(C)CC1CC[NH+](C)CC1 63125994 572528314 /nfs/dbraw/zinc/52/83/14/572528314.db2.gz CJVMTQXJIVQBJJ-UHFFFAOYSA-N 2 0 183.299 1.257 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84312147 572528331 /nfs/dbraw/zinc/52/83/31/572528331.db2.gz GRFMWKLPCRGRBF-QWRGUYRKSA-N 2 0 198.354 1.997 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1 84312100 572528454 /nfs/dbraw/zinc/52/84/54/572528454.db2.gz IZMRNZJGTGCQTJ-WDEREUQCSA-N 2 0 182.311 1.361 10 0 ADAERP C[C@H]1C[N@H+](C)[C@@H]2CCC[C@H]2C[NH2+]1 250848571 572528466 /nfs/dbraw/zinc/52/84/66/572528466.db2.gz KJNPOXFIUORPDT-LPEHRKFASA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84312048 572528487 /nfs/dbraw/zinc/52/84/87/572528487.db2.gz NNQQPDXZSXVEHS-WDEREUQCSA-N 2 0 184.327 1.607 10 0 ADAERP C[N@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 84311694 572528509 /nfs/dbraw/zinc/52/85/09/572528509.db2.gz FIHUKIDQZRSBPS-ZJUUUORDSA-N 2 0 182.311 1.456 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH2+]C1CCCC1 84312057 572528564 /nfs/dbraw/zinc/52/85/64/572528564.db2.gz NPBQPEHHFSYTME-GHMZBOCLSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH2+]CCC1CC1 84312952 572528616 /nfs/dbraw/zinc/52/86/16/572528616.db2.gz IJOYSXNSPATALO-VXGBXAGGSA-N 2 0 196.338 1.751 10 0 ADAERP [NH3+][C@H]1C[C@H]2C3CC[NH+](CC3)C[C@@H]2C1 250850303 572528637 /nfs/dbraw/zinc/52/86/37/572528637.db2.gz OBIKJZGPYCSPPS-AXFHLTTASA-N 2 0 180.295 1.066 10 0 ADAERP [NH3+][C@H]1[C@@H]2C[N@@H+](C3CCCCC3)C[C@H]12 250827851 572528650 /nfs/dbraw/zinc/52/86/50/572528650.db2.gz IBDLJHIRMLXLDK-URLYPYJESA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@@H]1C[C@H]2C[NH+]3CCC(CC3)[C@H]2C1 250850306 572528849 /nfs/dbraw/zinc/52/88/49/572528849.db2.gz OBIKJZGPYCSPPS-HBNTYKKESA-N 2 0 180.295 1.066 10 0 ADAERP CC[N@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311683 572528799 /nfs/dbraw/zinc/52/87/99/572528799.db2.gz WCCKLDOUJQLYKV-ZJUUUORDSA-N 2 0 170.300 1.313 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84311985 572528812 /nfs/dbraw/zinc/52/88/12/572528812.db2.gz UQKIQUSPXINKBB-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84311973 572529011 /nfs/dbraw/zinc/52/90/11/572529011.db2.gz SLEJWYOPZDXBJT-NXEZZACHSA-N 2 0 170.300 1.361 10 0 ADAERP C[N@H+](C[C@H]1CCC[C@@H]1C[NH3+])C1CC1 84311697 572528830 /nfs/dbraw/zinc/52/88/30/572528830.db2.gz FIHUKIDQZRSBPS-NXEZZACHSA-N 2 0 182.311 1.456 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH2+]C1CC1 84312033 572528873 /nfs/dbraw/zinc/52/88/73/572528873.db2.gz DDLNBFCEMMEXQP-RKDXNWHRSA-N 2 0 168.284 1.113 10 0 ADAERP C[N@@H+]1CCC(C)(C)[C@@H]2C[C@H]([NH3+])C[C@H]2C1 250814744 572528903 /nfs/dbraw/zinc/52/89/03/572528903.db2.gz WJMYWYZCOGVNLB-HBNTYKKESA-N 2 0 196.338 1.702 10 0 ADAERP C[C@H]1C[C@@]2(CC[NH2+]C2)C[C@@H](C)[N@@H+]1C 250890135 572528930 /nfs/dbraw/zinc/52/89/30/572528930.db2.gz COGBUDNDEGPHLR-JGPRNRPPSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@H+](C[C@H]1CCC[C@@H]1C[NH3+])C1CC1 84311691 572528932 /nfs/dbraw/zinc/52/89/32/572528932.db2.gz JXZSLEWRVAPRMM-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84311988 572528940 /nfs/dbraw/zinc/52/89/40/572528940.db2.gz UQKIQUSPXINKBB-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP CC[NH+](CC)C[C@H]1CCC[C@@H]1C[NH3+] 84311494 572528954 /nfs/dbraw/zinc/52/89/54/572528954.db2.gz WYAUMPIHYAPNPF-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C1CC[N@H+]2CCC[C@]3(CC[NH2+]C3)[C@H]2C1 250860910 572528956 /nfs/dbraw/zinc/52/89/56/572528956.db2.gz QFFAWKDAZFWKDR-VXGBXAGGSA-N 2 0 194.322 1.614 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH2+]C1CCCC1 84312060 572528965 /nfs/dbraw/zinc/52/89/65/572528965.db2.gz NPBQPEHHFSYTME-QWRGUYRKSA-N 2 0 196.338 1.894 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311592 572528974 /nfs/dbraw/zinc/52/89/74/572528974.db2.gz GBNXSQWDGMZFSV-GHMZBOCLSA-N 2 0 184.327 1.702 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH2+]C1CCC1 84312501 572528988 /nfs/dbraw/zinc/52/89/88/572528988.db2.gz MDPLYIVGSZLDMB-NXEZZACHSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84311981 572529497 /nfs/dbraw/zinc/52/94/97/572529497.db2.gz UQKIQUSPXINKBB-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH2+]C1CCCC1 84312064 572529103 /nfs/dbraw/zinc/52/91/03/572529103.db2.gz NPBQPEHHFSYTME-WDEREUQCSA-N 2 0 196.338 1.894 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84312555 572529106 /nfs/dbraw/zinc/52/91/06/572529106.db2.gz TYNPDYXGJUJENX-TUAOUCFPSA-N 2 0 198.354 1.997 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1C[NH2+]CC1CC1 84312091 572529121 /nfs/dbraw/zinc/52/91/21/572529121.db2.gz IZMRNZJGTGCQTJ-MNOVXSKESA-N 2 0 182.311 1.361 10 0 ADAERP CCC[N@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311736 572531017 /nfs/dbraw/zinc/53/10/17/572531017.db2.gz CLQIVBLTQURPMX-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84312003 572529307 /nfs/dbraw/zinc/52/93/07/572529307.db2.gz RJLJSHRMHFXEMC-UWVGGRQHSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1C[NH2+]CCC1CC1 84312945 572529318 /nfs/dbraw/zinc/52/93/18/572529318.db2.gz IJOYSXNSPATALO-NEPJUHHUSA-N 2 0 196.338 1.751 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84312005 572529339 /nfs/dbraw/zinc/52/93/39/572529339.db2.gz RJLJSHRMHFXEMC-VHSXEESVSA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84311997 572529368 /nfs/dbraw/zinc/52/93/68/572529368.db2.gz RJLJSHRMHFXEMC-ZJUUUORDSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84312019 572529394 /nfs/dbraw/zinc/52/93/94/572529394.db2.gz DWWWFXCJHAJCEQ-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84312117 572529424 /nfs/dbraw/zinc/52/94/24/572529424.db2.gz MAEMVYJRKUYEIX-GHMZBOCLSA-N 2 0 184.327 1.751 10 0 ADAERP CC(C)[N@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311587 572529429 /nfs/dbraw/zinc/52/94/29/572529429.db2.gz GBNXSQWDGMZFSV-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84312154 572529492 /nfs/dbraw/zinc/52/94/92/572529492.db2.gz GRFMWKLPCRGRBF-WDEREUQCSA-N 2 0 198.354 1.997 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84312145 572529608 /nfs/dbraw/zinc/52/96/08/572529608.db2.gz GRFMWKLPCRGRBF-GHMZBOCLSA-N 2 0 198.354 1.997 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](CC(C)(C)C)C1 250700636 572529657 /nfs/dbraw/zinc/52/96/57/572529657.db2.gz NYKXELMRBOJQIO-QWRGUYRKSA-N 2 0 198.354 1.949 10 0 ADAERP C[N@@H+]1CC[C@@H](CC(C)(C)C)[C@H](C[NH3+])C1 250701979 572529666 /nfs/dbraw/zinc/52/96/66/572529666.db2.gz OKVQHEMQMMJCQB-WDEREUQCSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84312510 572529693 /nfs/dbraw/zinc/52/96/93/572529693.db2.gz YAFHCBWKYXBGKB-ZNSHCXBVSA-N 2 0 182.311 1.359 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84312562 572529711 /nfs/dbraw/zinc/52/97/11/572529711.db2.gz TYNPDYXGJUJENX-QJPTWQEYSA-N 2 0 198.354 1.997 10 0 ADAERP CC(C)C[N@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311745 572530049 /nfs/dbraw/zinc/53/00/49/572530049.db2.gz SCMFNSSFRZTUSJ-VXGBXAGGSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)(C)C1=[NH+][C@@H]2CC[C@H]([NH3+])C[C@H]2N1 250699455 572529754 /nfs/dbraw/zinc/52/97/54/572529754.db2.gz NKQNIAPARNIERF-DJLDLDEBSA-N 2 0 195.310 1.283 10 0 ADAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84312121 572529838 /nfs/dbraw/zinc/52/98/38/572529838.db2.gz MAEMVYJRKUYEIX-QWRGUYRKSA-N 2 0 184.327 1.751 10 0 ADAERP CC[NH+](CC)C[C@@H]1CCC[C@@H]1C[NH3+] 84311490 572529885 /nfs/dbraw/zinc/52/98/85/572529885.db2.gz WYAUMPIHYAPNPF-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1C[NH2+]C1CCCC1 84312054 572529895 /nfs/dbraw/zinc/52/98/95/572529895.db2.gz NPBQPEHHFSYTME-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84312042 572529914 /nfs/dbraw/zinc/52/99/14/572529914.db2.gz NNQQPDXZSXVEHS-GHMZBOCLSA-N 2 0 184.327 1.607 10 0 ADAERP CC[NH+](CC)C[C@@H]1CCC[C@H]1C[NH3+] 84311496 572529958 /nfs/dbraw/zinc/52/99/58/572529958.db2.gz WYAUMPIHYAPNPF-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84311976 572529975 /nfs/dbraw/zinc/52/99/75/572529975.db2.gz SLEJWYOPZDXBJT-UWVGGRQHSA-N 2 0 170.300 1.361 10 0 ADAERP CC[N@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 84311687 572530219 /nfs/dbraw/zinc/53/02/19/572530219.db2.gz JXZSLEWRVAPRMM-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1C[NH2+]C1CC1 84312027 572530244 /nfs/dbraw/zinc/53/02/44/572530244.db2.gz DDLNBFCEMMEXQP-BDAKNGLRSA-N 2 0 168.284 1.113 10 0 ADAERP CC[NH+](CC)C[C@H]1CCC[C@H]1C[NH3+] 84311499 572530352 /nfs/dbraw/zinc/53/03/52/572530352.db2.gz WYAUMPIHYAPNPF-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH2+]CC1CC1 84312094 572530455 /nfs/dbraw/zinc/53/04/55/572530455.db2.gz IZMRNZJGTGCQTJ-QWRGUYRKSA-N 2 0 182.311 1.361 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84311993 572530486 /nfs/dbraw/zinc/53/04/86/572530486.db2.gz UQKIQUSPXINKBB-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC(C)(C)C)C1 250704359 572530496 /nfs/dbraw/zinc/53/04/96/572530496.db2.gz PBEBRBYFCBUTMH-VHSXEESVSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)[NH+]=CN2C1CC1 250718550 572530513 /nfs/dbraw/zinc/53/05/13/572530513.db2.gz HOXBXONDCWUDFD-DVVUODLYSA-N 2 0 193.294 1.002 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1C[NH2+]C1CCC1 84312497 572530611 /nfs/dbraw/zinc/53/06/11/572530611.db2.gz MDPLYIVGSZLDMB-ZJUUUORDSA-N 2 0 182.311 1.504 10 0 ADAERP C[NH2+][C@@H]1CC[C@@H]2[NH+]=CN(C3CC3)[C@H]2C1 250738718 572530632 /nfs/dbraw/zinc/53/06/32/572530632.db2.gz MCZDIBZYHNIEEX-MIMYLULJSA-N 2 0 193.294 1.002 10 0 ADAERP CCC[N@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311739 572530726 /nfs/dbraw/zinc/53/07/26/572530726.db2.gz CLQIVBLTQURPMX-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH+](C)[C@@H]1CCC[C@H](CCC[NH3+])C1 238288945 572530727 /nfs/dbraw/zinc/53/07/27/572530727.db2.gz XETOSYSRBZNVMS-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH2+]CCC1CC1 84312956 572530828 /nfs/dbraw/zinc/53/08/28/572530828.db2.gz IJOYSXNSPATALO-NWDGAFQWSA-N 2 0 196.338 1.751 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84312045 572530890 /nfs/dbraw/zinc/53/08/90/572530890.db2.gz NNQQPDXZSXVEHS-QWRGUYRKSA-N 2 0 184.327 1.607 10 0 ADAERP CCCC[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84312114 572530917 /nfs/dbraw/zinc/53/09/17/572530917.db2.gz MAEMVYJRKUYEIX-MNOVXSKESA-N 2 0 184.327 1.751 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311742 572530942 /nfs/dbraw/zinc/53/09/42/572530942.db2.gz SCMFNSSFRZTUSJ-NEPJUHHUSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84311999 572531040 /nfs/dbraw/zinc/53/10/40/572531040.db2.gz RJLJSHRMHFXEMC-NXEZZACHSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH2+]C1CC1 84312030 572531078 /nfs/dbraw/zinc/53/10/78/572531078.db2.gz DDLNBFCEMMEXQP-IUCAKERBSA-N 2 0 168.284 1.113 10 0 ADAERP C[N@H+](CC1CC1)C[C@@H]1CCC[C@@H]1C[NH3+] 84311917 572531088 /nfs/dbraw/zinc/53/10/88/572531088.db2.gz AONBJNDCQJFAGU-NEPJUHHUSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@H+](CC1CC1)C[C@H]1CCC[C@@H]1C[NH3+] 84311919 572531129 /nfs/dbraw/zinc/53/11/29/572531129.db2.gz AONBJNDCQJFAGU-VXGBXAGGSA-N 2 0 196.338 1.703 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH2+]C1CCC1 84312504 572531148 /nfs/dbraw/zinc/53/11/48/572531148.db2.gz MDPLYIVGSZLDMB-UWVGGRQHSA-N 2 0 182.311 1.504 10 0 ADAERP C[N@@H+]1CC[C@H](CC(C)(C)C)[C@H](C[NH3+])C1 250701977 572531155 /nfs/dbraw/zinc/53/11/55/572531155.db2.gz OKVQHEMQMMJCQB-GHMZBOCLSA-N 2 0 198.354 1.949 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C[NH3+] 84312436 572531166 /nfs/dbraw/zinc/53/11/66/572531166.db2.gz KEYBIFOGQSXLQN-MXWKQRLJSA-N 2 0 196.338 1.750 10 0 ADAERP CCCC[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84312123 572531231 /nfs/dbraw/zinc/53/12/31/572531231.db2.gz MAEMVYJRKUYEIX-WDEREUQCSA-N 2 0 184.327 1.751 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C[NH3+] 84312430 572531275 /nfs/dbraw/zinc/53/12/75/572531275.db2.gz KEYBIFOGQSXLQN-VWYCJHECSA-N 2 0 196.338 1.750 10 0 ADAERP CCC[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84311978 572531350 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/nfs/dbraw/zinc/53/83/91/572538391.db2.gz WCUZMEKFHJVGFQ-QGKZMRNZSA-N 2 0 182.311 1.452 10 0 ADAERP CCCC[NH2+]CC[C@@H]1CC[NH2+]C1 84385018 572538407 /nfs/dbraw/zinc/53/84/07/572538407.db2.gz OGHNLMPMCGWRSP-SNVBAGLBSA-N 2 0 170.300 1.376 10 0 ADAERP C[C@H]1[C@@H]2CC[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@H+]1C 250910284 572538416 /nfs/dbraw/zinc/53/84/16/572538416.db2.gz UQTALALSFVHPCJ-ROHXPCBUSA-N 2 0 196.338 1.843 10 0 ADAERP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC1CCC1 84385764 572538419 /nfs/dbraw/zinc/53/84/19/572538419.db2.gz SYRFXCXCMOHSGG-NSHDSACASA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)[C@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 84386167 572538440 /nfs/dbraw/zinc/53/84/40/572538440.db2.gz DPVNKHDZCPMSQQ-NEPJUHHUSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@H]1C[C@@](C)([NH3+])C[C@@H](C)[N@@H+]1C 250917560 572538441 /nfs/dbraw/zinc/53/84/41/572538441.db2.gz YHWJCXWQRKRARM-BRPSZJMVSA-N 2 0 156.273 1.206 10 0 ADAERP CC(C)(C)[NH2+]CC[C@@H]1CC[NH2+]C1 84384948 572538458 /nfs/dbraw/zinc/53/84/58/572538458.db2.gz NHETYUFXONQCFR-VIFPVBQESA-N 2 0 170.300 1.374 10 0 ADAERP C[C@H]1C[C@](C)([NH3+])C[C@@H](C)[N@@H+]1C 250917556 572538476 /nfs/dbraw/zinc/53/84/76/572538476.db2.gz YHWJCXWQRKRARM-AYMMMOKOSA-N 2 0 156.273 1.206 10 0 ADAERP CC(C)[N@H+](C)CC[C@H]1CC[NH2+]C1 84384516 572538477 /nfs/dbraw/zinc/53/84/77/572538477.db2.gz SLPOKKLAAMVDCU-SNVBAGLBSA-N 2 0 170.300 1.326 10 0 ADAERP C1CC([NH2+]CC[C@@H]2CC[NH2+]C2)C1 84385697 572538502 /nfs/dbraw/zinc/53/85/02/572538502.db2.gz LZXZQIBURWSPLM-VIFPVBQESA-N 2 0 168.284 1.128 10 0 ADAERP C[C@H]1C[C@H](CC2([NH3+])CC2)C[C@@H](C)[N@@H+]1C 250919026 572538568 /nfs/dbraw/zinc/53/85/68/572538568.db2.gz ZPLUNDMLYOFABD-JGPRNRPPSA-N 2 0 196.338 1.987 10 0 ADAERP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 84384638 572539234 /nfs/dbraw/zinc/53/92/34/572539234.db2.gz FGLPBJNJTIESSC-VIFPVBQESA-N 2 0 168.284 1.080 10 0 ADAERP CCc1cc(OCC[NH2+]C)ccn1 307795248 572538602 /nfs/dbraw/zinc/53/86/02/572538602.db2.gz SMIADOSHYHFLBH-UHFFFAOYSA-N 2 0 180.251 1.242 10 0 ADAERP C[C@H]1C[C@H](CC(=O)C[NH3+])C[C@@H](C)[N@@H+]1C 250910172 572538630 /nfs/dbraw/zinc/53/86/30/572538630.db2.gz UINLBYXEJDQMMW-ILWJIGKKSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@H]1C[C@@H](C2([NH3+])CC2)C[C@@H](C)[N@@H+]1C 250911809 572538658 /nfs/dbraw/zinc/53/86/58/572538658.db2.gz VPKJIAZHDGLHGO-MYJAWHEDSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1[C@@H]2C[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@H+]1C 250913328 572538714 /nfs/dbraw/zinc/53/87/14/572538714.db2.gz WCUZMEKFHJVGFQ-XXFSISAASA-N 2 0 182.311 1.452 10 0 ADAERP CC(C)CC[C@H](CN)[NH+]1CCCC1 74282288 572538724 /nfs/dbraw/zinc/53/87/24/572538724.db2.gz PCJZTKRXFRJPFL-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C[C@@H](C)[N@H+]1C 250919016 572538729 /nfs/dbraw/zinc/53/87/29/572538729.db2.gz ZPGIPGHPKNBHNJ-DGORSVRFSA-N 2 0 196.338 1.700 10 0 ADAERP C[C@H]1C[C@@H](C[NH2+]C2CC2)C[C@@H](C)[N@@H+]1C 250902675 572538751 /nfs/dbraw/zinc/53/87/51/572538751.db2.gz OUTLKYATOVYTMM-URLYPYJESA-N 2 0 196.338 1.857 10 0 ADAERP C(CC1CC1)[NH2+]CC[C@H]1CC[NH2+]C1 84386240 572538771 /nfs/dbraw/zinc/53/87/71/572538771.db2.gz QVMWMZIMPMWGGT-NSHDSACASA-N 2 0 182.311 1.376 10 0 ADAERP C[NH2+]C[C@@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 250911635 572538840 /nfs/dbraw/zinc/53/88/40/572538840.db2.gz UXYWFBVFJVCIRM-MYJAWHEDSA-N 2 0 170.300 1.325 10 0 ADAERP C[C@H]1C[C@H](C[NH2+]C2CC2)C[C@@H](C)[N@@H+]1C 250902672 572538867 /nfs/dbraw/zinc/53/88/67/572538867.db2.gz OUTLKYATOVYTMM-JGPRNRPPSA-N 2 0 196.338 1.857 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 84385576 572538870 /nfs/dbraw/zinc/53/88/70/572538870.db2.gz XCEHCAMPCNHJPE-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@@H]([NH3+])C1CC[NH+](C)CC1 74282402 572538875 /nfs/dbraw/zinc/53/88/75/572538875.db2.gz CAPVNOIHGUPXTQ-LLVKDONJSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]1[C@@H]2C[C@@H]([NH3+])C[C@@H]2C[C@@H](C)[N@H+]1C 250913320 572538881 /nfs/dbraw/zinc/53/88/81/572538881.db2.gz WCUZMEKFHJVGFQ-NMUGVGKYSA-N 2 0 182.311 1.452 10 0 ADAERP C[C@@H]1CCC[C@@H](C[NH2+]CCC[NH3+])C1 84341755 572538916 /nfs/dbraw/zinc/53/89/16/572538916.db2.gz NYHRISMKNBQZCF-GHMZBOCLSA-N 2 0 184.327 1.751 10 0 ADAERP CC(C)CC[C@H]1C[N@H+](C)CC[C@@H]1[NH3+] 74282366 572538944 /nfs/dbraw/zinc/53/89/44/572538944.db2.gz PXQLWIUMKZGJPN-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H]([NH3+])[C@@H](C)C[NH+](CC)CC 238294981 572539023 /nfs/dbraw/zinc/53/90/23/572539023.db2.gz PUAVTSNRJADPPQ-VHSXEESVSA-N 2 0 172.316 1.702 10 0 ADAERP C(CC1CC1)[NH2+]CC[C@@H]1CC[NH2+]C1 84386237 572539037 /nfs/dbraw/zinc/53/90/37/572539037.db2.gz QVMWMZIMPMWGGT-LLVKDONJSA-N 2 0 182.311 1.376 10 0 ADAERP C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 84384642 572539068 /nfs/dbraw/zinc/53/90/68/572539068.db2.gz FGLPBJNJTIESSC-SECBINFHSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@@H]([NH3+])[C@@H](C)[C@H](C)[NH+]1CCCC1 74282304 572539069 /nfs/dbraw/zinc/53/90/69/572539069.db2.gz WDKOZLVPWZOYEF-GARJFASQSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]C[C@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 250911632 572539073 /nfs/dbraw/zinc/53/90/73/572539073.db2.gz UXYWFBVFJVCIRM-ILWJIGKKSA-N 2 0 170.300 1.325 10 0 ADAERP CCN(C)C[C@@H]([NH3+])CC1CCCC1 74282427 572539085 /nfs/dbraw/zinc/53/90/85/572539085.db2.gz QJQIIQVNLGLMEL-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1[C@@H]2C[C@H](C[NH3+])C[C@H]2C[C@@H](C)[N@H+]1C 250919023 572539136 /nfs/dbraw/zinc/53/91/36/572539136.db2.gz ZPGIPGHPKNBHNJ-ROHXPCBUSA-N 2 0 196.338 1.700 10 0 ADAERP C[C@H]1C[C@@H](CC2([NH3+])CC2)C[C@@H](C)[N@@H+]1C 250919028 572539191 /nfs/dbraw/zinc/53/91/91/572539191.db2.gz ZPLUNDMLYOFABD-URLYPYJESA-N 2 0 196.338 1.987 10 0 ADAERP C[C@H]1[C@@H]2CC[C@H]([NH3+])C[C@@H]2C[C@@H](C)[N@H+]1C 250910276 572539214 /nfs/dbraw/zinc/53/92/14/572539214.db2.gz UQTALALSFVHPCJ-DGORSVRFSA-N 2 0 196.338 1.843 10 0 ADAERP C[C@H]1C[C@@H]([NH2+]C2CC2)C[C@@H](C)[N@@H+]1C 250908763 572539245 /nfs/dbraw/zinc/53/92/45/572539245.db2.gz SZOMKSGVSLKWMD-JZYVYDRUSA-N 2 0 182.311 1.610 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 84385587 572539298 /nfs/dbraw/zinc/53/92/98/572539298.db2.gz XCEHCAMPCNHJPE-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)CC[C@@H](CN)[NH+]1CCCC1 74282282 572539352 /nfs/dbraw/zinc/53/93/52/572539352.db2.gz PCJZTKRXFRJPFL-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP c1coc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 84384966 572539368 /nfs/dbraw/zinc/53/93/68/572539368.db2.gz NZEVUKQYWNGCPN-SNVBAGLBSA-N 2 0 194.278 1.369 10 0 ADAERP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCF 252713927 572539408 /nfs/dbraw/zinc/53/94/08/572539408.db2.gz QNWCVQVQRLRWMK-NXEZZACHSA-N 2 0 188.290 1.276 10 0 ADAERP C[C@@H]1CCC[C@H](C[NH2+]CCC[NH3+])C1 84341749 572539452 /nfs/dbraw/zinc/53/94/52/572539452.db2.gz NYHRISMKNBQZCF-MNOVXSKESA-N 2 0 184.327 1.751 10 0 ADAERP CCCC[NH2+]CC[C@H]1CC[NH2+]C1 84385024 572539516 /nfs/dbraw/zinc/53/95/16/572539516.db2.gz OGHNLMPMCGWRSP-JTQLQIEISA-N 2 0 170.300 1.376 10 0 ADAERP CC(C)C[C@H]([NH3+])C1CC[NH+](C)CC1 74282398 572539552 /nfs/dbraw/zinc/53/95/52/572539552.db2.gz CAPVNOIHGUPXTQ-NSHDSACASA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC=C(C)C)C[C@@H]1C 234464758 572539571 /nfs/dbraw/zinc/53/95/71/572539571.db2.gz CARNIIGKAOWNDP-NWDGAFQWSA-N 2 0 196.338 1.882 10 0 ADAERP CC1([NH2+]CC[C@@H]2CC[NH2+]C2)CCCC1 84386189 572539625 /nfs/dbraw/zinc/53/96/25/572539625.db2.gz AQXGSFZTBYCORN-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 84385584 572539646 /nfs/dbraw/zinc/53/96/46/572539646.db2.gz XCEHCAMPCNHJPE-ZJUUUORDSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H]1CCC[C@@H](C[NH2+]CCC[NH3+])C1 84341756 572539667 /nfs/dbraw/zinc/53/96/67/572539667.db2.gz NYHRISMKNBQZCF-WDEREUQCSA-N 2 0 184.327 1.751 10 0 ADAERP C[C@H](C[NH3+])[C@@H]1CC[N@@H+]2CCCC[C@@H]12 251072151 572539794 /nfs/dbraw/zinc/53/97/94/572539794.db2.gz FQQKCCRJNJJSER-VWYCJHECSA-N 2 0 182.311 1.456 10 0 ADAERP CCc1cc(NC[C@H]([NH3+])CC)cc[nH+]1 307792915 572539808 /nfs/dbraw/zinc/53/98/08/572539808.db2.gz VCKXSSXYKNCELD-SECBINFHSA-N 2 0 193.294 1.793 10 0 ADAERP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCF 252713928 572539842 /nfs/dbraw/zinc/53/98/42/572539842.db2.gz QNWCVQVQRLRWMK-VHSXEESVSA-N 2 0 188.290 1.276 10 0 ADAERP C[C@H](C[NH3+])[C@@H]1C[C@]12CCC[N@H+](C)C2 251069888 572539953 /nfs/dbraw/zinc/53/99/53/572539953.db2.gz FDSUHRJWKGXZRV-VWYCJHECSA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)[N@H+](C)CC[C@@H]1CC[NH2+]C1 84384513 572539988 /nfs/dbraw/zinc/53/99/88/572539988.db2.gz SLPOKKLAAMVDCU-JTQLQIEISA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)(C)[NH2+]CC[C@H]1CC[NH2+]C1 84384951 572540044 /nfs/dbraw/zinc/54/00/44/572540044.db2.gz NHETYUFXONQCFR-SECBINFHSA-N 2 0 170.300 1.374 10 0 ADAERP C[NH2+]CCC[NH2+]CC1CC(C2CC2)C1 714486843 572540084 /nfs/dbraw/zinc/54/00/84/572540084.db2.gz ACUOQARBQKWRSR-UHFFFAOYSA-N 2 0 196.338 1.622 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 84384823 572540114 /nfs/dbraw/zinc/54/01/14/572540114.db2.gz KZBBIIDSNVWRJD-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H](C[NH3+])[C@H]1C[C@]12CCC[N@H+](C)C2 251069887 572540153 /nfs/dbraw/zinc/54/01/53/572540153.db2.gz FDSUHRJWKGXZRV-MXWKQRLJSA-N 2 0 182.311 1.313 10 0 ADAERP CCN(C)C[C@H]([NH3+])CC1CCCC1 74282423 572540198 /nfs/dbraw/zinc/54/01/98/572540198.db2.gz QJQIIQVNLGLMEL-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC[C@H]([NH3+])CN1CCCC1 74282265 572540278 /nfs/dbraw/zinc/54/02/78/572540278.db2.gz IEADWOJLQAPIDO-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H]([NH3+])[C@H](C)C[NH+](CC)CC 238299355 572540465 /nfs/dbraw/zinc/54/04/65/572540465.db2.gz PUAVTSNRJADPPQ-ZJUUUORDSA-N 2 0 172.316 1.702 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])C[NH2+]C1CC1 40408341 572540661 /nfs/dbraw/zinc/54/06/61/572540661.db2.gz IIOVGADGDYZYTI-CBAPKCEASA-N 2 0 156.273 1.112 10 0 ADAERP CC(C)CC[C@@H]([NH3+])CN1CCCC1 74282270 572540911 /nfs/dbraw/zinc/54/09/11/572540911.db2.gz IEADWOJLQAPIDO-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([C@@H]([NH3+])CC1CCCC1)N(C)C 74282217 572540988 /nfs/dbraw/zinc/54/09/88/572540988.db2.gz IYLOUSXWOYXTFQ-KOLCDFICSA-N 2 0 184.327 1.844 10 0 ADAERP CCCC[C@@H]([NH3+])C[NH2+][C@H](C)CC 40408193 572541025 /nfs/dbraw/zinc/54/10/25/572541025.db2.gz WPHTZTVHUUJZSF-NXEZZACHSA-N 2 0 172.316 1.892 10 0 ADAERP CC[NH+](CC)C1CCC(C[NH3+])CC1 74282385 572541319 /nfs/dbraw/zinc/54/13/19/572541319.db2.gz GUEGZPSIEHYQFW-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)[C@H](CC[NH3+])[NH+]1CCCCC1 74282203 572541490 /nfs/dbraw/zinc/54/14/90/572541490.db2.gz LAZQPMCHPQHRSY-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCc1cc(N[C@@H](CC)C[NH3+])cc[nH+]1 307794345 572541605 /nfs/dbraw/zinc/54/16/05/572541605.db2.gz WQAHGYLZGWFDNR-JTQLQIEISA-N 2 0 193.294 1.793 10 0 ADAERP CC[C@H]([NH3+])[C@@H](C)[C@H](C)[NH+]1CCCC1 74282300 572541639 /nfs/dbraw/zinc/54/16/39/572541639.db2.gz WDKOZLVPWZOYEF-DCAQKATOSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)CC[C@@H]1C[N@H+](C)CC[C@@H]1[NH3+] 74282362 572541802 /nfs/dbraw/zinc/54/18/02/572541802.db2.gz PXQLWIUMKZGJPN-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP C1CC[C@H]2[C@H](CC1)C[N@H+]2[C@H]1CC[NH2+]C1 687941800 572541969 /nfs/dbraw/zinc/54/19/69/572541969.db2.gz IDWVLZOGYRJWOK-WOPDTQHZSA-N 2 0 194.322 1.613 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@H](CCC[NH3+])C1 238298607 572542136 /nfs/dbraw/zinc/54/21/36/572542136.db2.gz XETOSYSRBZNVMS-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C1CC[C@@H]2C[N@@H+]([C@@H]3CC[NH2+]C3)[C@@H]2CC1 687941798 572542247 /nfs/dbraw/zinc/54/22/47/572542247.db2.gz IDWVLZOGYRJWOK-IJLUTSLNSA-N 2 0 194.322 1.613 10 0 ADAERP CCc1cc(N[C@H](CC)C[NH3+])cc[nH+]1 307794346 572542925 /nfs/dbraw/zinc/54/29/25/572542925.db2.gz WQAHGYLZGWFDNR-SNVBAGLBSA-N 2 0 193.294 1.793 10 0 ADAERP C1CC[C@@H]2C[N@@H+]([C@H]3CC[NH2+]C3)[C@@H]2CC1 687941797 572543911 /nfs/dbraw/zinc/54/39/11/572543911.db2.gz IDWVLZOGYRJWOK-GRYCIOLGSA-N 2 0 194.322 1.613 10 0 ADAERP C[NH2+]CC1(C[NH+](C)C)CCC(C)CC1 84364650 572543144 /nfs/dbraw/zinc/54/31/44/572543144.db2.gz JMCYPQOENVCWLW-UHFFFAOYSA-N 2 0 198.354 1.964 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@@H](CCC[NH3+])C1 238298376 572543332 /nfs/dbraw/zinc/54/33/32/572543332.db2.gz XETOSYSRBZNVMS-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP C1CC[C@H]2[C@H](CC1)C[N@H+]2[C@@H]1CC[NH2+]C1 687941799 572543562 /nfs/dbraw/zinc/54/35/62/572543562.db2.gz IDWVLZOGYRJWOK-UTUOFQBUSA-N 2 0 194.322 1.613 10 0 ADAERP CCc1cc(NCC[C@@H](C)[NH3+])cc[nH+]1 307798153 572544122 /nfs/dbraw/zinc/54/41/22/572544122.db2.gz YMKIJWCOZUKJBV-SECBINFHSA-N 2 0 193.294 1.793 10 0 ADAERP CC[C@H](CC[NH2+]C)C1CC[NH+](C)CC1 238301588 572544255 /nfs/dbraw/zinc/54/42/55/572544255.db2.gz AYLLMJNLGZOBBJ-LLVKDONJSA-N 2 0 198.354 1.964 10 0 ADAERP CCc1cc(NCC[C@H](C)[NH3+])cc[nH+]1 307798154 572544288 /nfs/dbraw/zinc/54/42/88/572544288.db2.gz YMKIJWCOZUKJBV-VIFPVBQESA-N 2 0 193.294 1.793 10 0 ADAERP CCc1cc(N(CC)CC[NH3+])cc[nH+]1 307798156 572544450 /nfs/dbraw/zinc/54/44/50/572544450.db2.gz YMMYCIREDRYAOC-UHFFFAOYSA-N 2 0 193.294 1.429 10 0 ADAERP CC[C@H](C[NH3+])CC[C@H](CC)C[NH3+] 238304962 572544712 /nfs/dbraw/zinc/54/47/12/572544712.db2.gz 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195.310 1.235 10 0 ADAERP CC(C)C1=[NH+][C@@H]2CC[C@H](C[NH3+])C[C@H]2N1 251328075 572558359 /nfs/dbraw/zinc/55/83/59/572558359.db2.gz NQFVBNYMIKYYPE-IVZWLZJFSA-N 2 0 195.310 1.140 10 0 ADAERP C[C@H]([NH3+])CCCC[NH+](C)C 45598912 572558379 /nfs/dbraw/zinc/55/83/79/572558379.db2.gz IQIRDGDKPJDLTJ-QMMMGPOBSA-N 2 0 144.262 1.066 10 0 ADAERP CC(C)[NH2+]C[C@@H](C)[NH2+]CC1CC1 162324621 572558510 /nfs/dbraw/zinc/55/85/10/572558510.db2.gz ALHWWQRZABPRHN-SECBINFHSA-N 2 0 170.300 1.373 10 0 ADAERP CC(C)C[C@@H]1CC[N@@H+](C2(C[NH3+])CC2)C1 307809265 572558617 /nfs/dbraw/zinc/55/86/17/572558617.db2.gz INFCYBCIRXLBHI-NSHDSACASA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]([NH3+])CCC[NH+]1CCCC1 45598594 572558661 /nfs/dbraw/zinc/55/86/61/572558661.db2.gz HOJOFSQMXPZNEY-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP CC(C)[C@H]([NH3+])CSCC[NH+](C)C 87542093 572558967 /nfs/dbraw/zinc/55/89/67/572558967.db2.gz JYFVNADHDUOUOO-SECBINFHSA-N 2 0 190.356 1.265 10 0 ADAERP CC1CC[NH+](C[C@H]2CCC[C@@H]2[NH3+])CC1 53860962 572559443 /nfs/dbraw/zinc/55/94/43/572559443.db2.gz HOHWBXDFDGCTQX-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 53858570 572559525 /nfs/dbraw/zinc/55/95/25/572559525.db2.gz PGFXZEKMJOQKJJ-WOPDTQHZSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H](C)[N@H+](C)CCC[C@@H](C)[NH3+] 45599622 572559615 /nfs/dbraw/zinc/55/96/15/572559615.db2.gz ADXUCJBPSHWGLP-NXEZZACHSA-N 2 0 172.316 1.844 10 0 ADAERP CCC[C@H]1C[N@H+](C)CC[C@H]1C[NH3+] 251332420 572560158 /nfs/dbraw/zinc/56/01/58/572560158.db2.gz LKCALEXUYKUJQZ-UWVGGRQHSA-N 2 0 170.300 1.313 10 0 ADAERP CC[N@H+](C)CCC[C@H](C)[NH3+] 45599300 572560319 /nfs/dbraw/zinc/56/03/19/572560319.db2.gz RUPQKSPPLBBBED-QMMMGPOBSA-N 2 0 144.262 1.066 10 0 ADAERP CC(C)C[C@H]1CC[N@H+](C[C@H](C)C[NH3+])C1 307814151 572560481 /nfs/dbraw/zinc/56/04/81/572560481.db2.gz LLHHMWAEDQJHRN-VXGBXAGGSA-N 2 0 198.354 1.949 10 0 ADAERP CC1CC[NH+](C[C@@H]2CCC[C@H]2[NH3+])CC1 53860964 572560579 /nfs/dbraw/zinc/56/05/79/572560579.db2.gz HOHWBXDFDGCTQX-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)C[C@@H]1CC[N@H+](C[C@@H](C)C[NH3+])C1 307814150 572560832 /nfs/dbraw/zinc/56/08/32/572560832.db2.gz LLHHMWAEDQJHRN-RYUDHWBXSA-N 2 0 198.354 1.949 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC=C(C)C)C[C@@H]1C 234475704 572560871 /nfs/dbraw/zinc/56/08/71/572560871.db2.gz CARNIIGKAOWNDP-RYUDHWBXSA-N 2 0 196.338 1.882 10 0 ADAERP C[NH2+]CC1CC2(C1)CC(C[NH2+]C)C2 238325091 572561262 /nfs/dbraw/zinc/56/12/62/572561262.db2.gz TTYXHXBRROVOPO-UHFFFAOYSA-N 2 0 182.311 1.232 10 0 ADAERP CC(C)CC[NH2+]CCCC[NH+](C)C 45663039 572561382 /nfs/dbraw/zinc/56/13/82/572561382.db2.gz SNWVHPPODSOWFX-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP C/C=C/CN1CC[C@H]([NH2+]C)[C@@H](C)C1 234479132 572561400 /nfs/dbraw/zinc/56/14/00/572561400.db2.gz QLROXUBNCHRCCQ-NNOMMRTBSA-N 2 0 182.311 1.492 10 0 ADAERP C[NH2+]Cc1ccc(C(C)(C)[NH2+]C)cc1 238326697 572561515 /nfs/dbraw/zinc/56/15/15/572561515.db2.gz OLBSJBLYTICWFH-UHFFFAOYSA-N 2 0 192.306 1.861 10 0 ADAERP CC1CC[NH+](C[C@@H]2CCC[C@@H]2[NH3+])CC1 53860960 572561596 /nfs/dbraw/zinc/56/15/96/572561596.db2.gz HOHWBXDFDGCTQX-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@@H+]1C 251297882 572561601 /nfs/dbraw/zinc/56/16/01/572561601.db2.gz HLKPVDMOJJCQSG-GMTAPVOTSA-N 2 0 182.311 1.182 10 0 ADAERP CC(C)[C@@H]([NH3+])CSCC[NH+](C)C 87542094 572561661 /nfs/dbraw/zinc/56/16/61/572561661.db2.gz JYFVNADHDUOUOO-VIFPVBQESA-N 2 0 190.356 1.265 10 0 ADAERP CC(C)C[C@H]1CC[N@H+](C[C@@H](C)C[NH3+])C1 307814148 572561668 /nfs/dbraw/zinc/56/16/68/572561668.db2.gz LLHHMWAEDQJHRN-NWDGAFQWSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[NH+]2CCCC2)C1 53861024 572561746 /nfs/dbraw/zinc/56/17/46/572561746.db2.gz JFPQEZPYZCSAQV-WOPDTQHZSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[C@@H]1C[C@]1([NH3+])[C@H]1CCC[N@H+](C)C1 251296867 572561856 /nfs/dbraw/zinc/56/18/56/572561856.db2.gz HFBJFZKHJCRBRS-SRVKXCTJSA-N 2 0 196.338 1.702 10 0 ADAERP CCC[C@@H]1CC[N@H+](C)CC[C@H]1[NH3+] 251296386 572562002 /nfs/dbraw/zinc/56/20/02/572562002.db2.gz GYRZLVCOABHQPA-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@H]1CC[N@H+](C)CC[C@H]1[NH3+] 251296389 572562198 /nfs/dbraw/zinc/56/21/98/572562198.db2.gz GYRZLVCOABHQPA-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CC[NH2+][C@H](C[N@@H+]1CC[C@H](C)C1)C(C)C 87529234 572562435 /nfs/dbraw/zinc/56/24/35/572562435.db2.gz DDAQLITVWGZQHO-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC[N@H+](CCC[C@@H](C)[NH3+])CCOC 45602319 572562461 /nfs/dbraw/zinc/56/24/61/572562461.db2.gz KOXUZPFMSHZTEX-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP C[NH2+][C@@H](C[N@@H+]1CC[C@H](C)C1)C(C)C 87529219 572562958 /nfs/dbraw/zinc/56/29/58/572562958.db2.gz WZFJIKIFTAWIEJ-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP CC(C)[C@@H]1C[C@@]1([NH3+])[C@H]1CCC[N@H+](C)C1 251296863 572562959 /nfs/dbraw/zinc/56/29/59/572562959.db2.gz HFBJFZKHJCRBRS-SDDRHHMPSA-N 2 0 196.338 1.702 10 0 ADAERP CCc1nccn1C[C@@H]([NH3+])C(C)C 87531756 572562997 /nfs/dbraw/zinc/56/29/97/572562997.db2.gz KKWREYPNLGWCLX-SECBINFHSA-N 2 0 181.283 1.429 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])Cn1cnc(C)c1C 87531815 572563190 /nfs/dbraw/zinc/56/31/90/572563190.db2.gz TULDCCHKCHPICX-GZMMTYOYSA-N 2 0 195.310 1.873 10 0 ADAERP CC(C)[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@@H+]1C 251297887 572563319 /nfs/dbraw/zinc/56/33/19/572563319.db2.gz HLKPVDMOJJCQSG-OUAUKWLOSA-N 2 0 182.311 1.182 10 0 ADAERP CCCc1nccn1C[C@@H]([NH3+])C(C)C 87532248 572563363 /nfs/dbraw/zinc/56/33/63/572563363.db2.gz HJADQNUOISYEOC-SNVBAGLBSA-N 2 0 195.310 1.819 10 0 ADAERP CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]([NH3+])C1 222830127 572563364 /nfs/dbraw/zinc/56/33/64/572563364.db2.gz ZAXQNWUHODSOEQ-IVZWLZJFSA-N 2 0 170.300 1.502 10 0 ADAERP C[NH2+][C@@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)C(C)C 87530754 572563375 /nfs/dbraw/zinc/56/33/75/572563375.db2.gz VPFDMTZXJIKEOP-TUAOUCFPSA-N 2 0 198.354 1.818 10 0 ADAERP CC[NH2+][C@@H](C[N@@H+]1CC[C@H](C)C1)C(C)C 87529230 572563432 /nfs/dbraw/zinc/56/34/32/572563432.db2.gz DDAQLITVWGZQHO-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)C2CC2)C1 53865387 572563474 /nfs/dbraw/zinc/56/34/74/572563474.db2.gz BHMXCJDYAIWOHZ-SCVCMEIPSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](C)C2CC2)C1 53865391 572563617 /nfs/dbraw/zinc/56/36/17/572563617.db2.gz BHMXCJDYAIWOHZ-JFGNBEQYSA-N 2 0 196.338 1.844 10 0 ADAERP CCC[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH3+] 251302500 572563711 /nfs/dbraw/zinc/56/37/11/572563711.db2.gz HSAAACOKJQCYPW-AEJSXWLSSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH3+] 251302510 572563770 /nfs/dbraw/zinc/56/37/70/572563770.db2.gz HSAAACOKJQCYPW-OPRDCNLKSA-N 2 0 170.300 1.454 10 0 ADAERP CCc1nccn1C[C@H]([NH2+]C)C(C)C 87531749 572563874 /nfs/dbraw/zinc/56/38/74/572563874.db2.gz MPHHLDJTHZNJGZ-JTQLQIEISA-N 2 0 195.310 1.690 10 0 ADAERP CC[C@@H](C)[C@@H]([NH3+])Cn1cnc(C)c1C 87531818 572563987 /nfs/dbraw/zinc/56/39/87/572563987.db2.gz TULDCCHKCHPICX-KCJUWKMLSA-N 2 0 195.310 1.873 10 0 ADAERP CCC[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH3+] 251302505 572564039 /nfs/dbraw/zinc/56/40/39/572564039.db2.gz HSAAACOKJQCYPW-IVZWLZJFSA-N 2 0 170.300 1.454 10 0 ADAERP CCc1nccn1C[C@@H]([NH2+]C)C(C)C 87531751 572564073 /nfs/dbraw/zinc/56/40/73/572564073.db2.gz MPHHLDJTHZNJGZ-SNVBAGLBSA-N 2 0 195.310 1.690 10 0 ADAERP C[NH2+][C@@H](Cn1cnc(C)c1C)C(C)C 87531821 572564166 /nfs/dbraw/zinc/56/41/66/572564166.db2.gz BVRZAUNNZJLJAM-NSHDSACASA-N 2 0 195.310 1.744 10 0 ADAERP CC(C)c1nccn1C[C@@H]([NH3+])C(C)C 87531340 572564227 /nfs/dbraw/zinc/56/42/27/572564227.db2.gz WBVIYSPGJTWMNJ-SNVBAGLBSA-N 2 0 195.310 1.990 10 0 ADAERP C[NH2+][C@@H](C[N@@H+]1CCC(C)(C)C1)C(C)C 87530830 572564275 /nfs/dbraw/zinc/56/42/75/572564275.db2.gz ONALPABDBRSWCN-NSHDSACASA-N 2 0 198.354 1.962 10 0 ADAERP CCCc1nccn1C[C@H]([NH3+])C(C)C 87532246 572564415 /nfs/dbraw/zinc/56/44/15/572564415.db2.gz HJADQNUOISYEOC-JTQLQIEISA-N 2 0 195.310 1.819 10 0 ADAERP C[NH2+][C@H](Cn1cnc(C)c1C)C(C)C 87531824 572564744 /nfs/dbraw/zinc/56/47/44/572564744.db2.gz BVRZAUNNZJLJAM-LLVKDONJSA-N 2 0 195.310 1.744 10 0 ADAERP C[C@@H](C1CC1)[NH+]1CCC(CC[NH3+])CC1 69729509 572565204 /nfs/dbraw/zinc/56/52/04/572565204.db2.gz MPAPMHRDWIPFJF-JTQLQIEISA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+][C@@H](C[N@@H+]1CC[C@@H](C)C1)C(C)C 87529216 572564670 /nfs/dbraw/zinc/56/46/70/572564670.db2.gz WZFJIKIFTAWIEJ-MNOVXSKESA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C)C1)[NH2+]C 87529227 572564687 /nfs/dbraw/zinc/56/46/87/572564687.db2.gz GTZDHINIIAEINI-SRVKXCTJSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@@H]1CC[N@H+](C)CC[C@H]1C[NH3+] 251370153 572564754 /nfs/dbraw/zinc/56/47/54/572564754.db2.gz FXUWYAFQBKJXOG-QWRGUYRKSA-N 2 0 184.327 1.559 10 0 ADAERP CCC[NH2+]CCCCC[NH3+] 69734559 572564779 /nfs/dbraw/zinc/56/47/79/572564779.db2.gz TXZYEZDYAHKAPO-UHFFFAOYSA-N 2 0 144.262 1.115 10 0 ADAERP 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1.844 10 0 ADAERP CC[NH2+]CCN(C)CCCC(F)F 688709302 572595874 /nfs/dbraw/zinc/59/58/74/572595874.db2.gz JUZDUEFRVOECPK-UHFFFAOYSA-N 2 0 194.269 1.573 10 0 ADAERP CC[C@H](C)[C@@H]([NH2+]C)[C@H]1CC[N@H+](C)C1 251664519 572595884 /nfs/dbraw/zinc/59/58/84/572595884.db2.gz BZSKRQAHDKUOQF-GARJFASQSA-N 2 0 184.327 1.572 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H](C[NH3+])C1 251616479 572596381 /nfs/dbraw/zinc/59/63/81/572596381.db2.gz CIKJCAMXAOKAQF-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH+]1CCC(C2([NH3+])CC=CC2)CC1 74302983 572596645 /nfs/dbraw/zinc/59/66/45/572596645.db2.gz OEDMTJYGDHIXPK-UHFFFAOYSA-N 2 0 180.295 1.376 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H](C[NH3+])C1 251616460 572597643 /nfs/dbraw/zinc/59/76/43/572597643.db2.gz CIKJCAMXAOKAQF-IJLUTSLNSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1CC[N@H+](C)C[C@](C)([NH3+])C1 251605322 572597667 /nfs/dbraw/zinc/59/76/67/572597667.db2.gz GMLAVKPPXOSAAC-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H](C[NH3+])C1 251616470 572597708 /nfs/dbraw/zinc/59/77/08/572597708.db2.gz CIKJCAMXAOKAQF-UTUOFQBUSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@](C)([NH3+])C1 251605326 572598260 /nfs/dbraw/zinc/59/82/60/572598260.db2.gz GMLAVKPPXOSAAC-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+][C@H](CCCCF)CN(C)C 308070642 572598522 /nfs/dbraw/zinc/59/85/22/572598522.db2.gz BEODXDSGUWFMHZ-SECBINFHSA-N 2 0 176.279 1.276 10 0 ADAERP CC[C@H](C)[C@H]([NH2+]C)[C@H]1CC[N@H+](C)C1 251664517 572598570 /nfs/dbraw/zinc/59/85/70/572598570.db2.gz BZSKRQAHDKUOQF-DCAQKATOSA-N 2 0 184.327 1.572 10 0 ADAERP C[C@H]1CC[N@H+](C)[C@H]1CCC[NH3+] 251640070 572599290 /nfs/dbraw/zinc/59/92/90/572599290.db2.gz JCBWCBXDGTYQBU-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)C2)C1 251627058 572599388 /nfs/dbraw/zinc/59/93/88/572599388.db2.gz IBDQTXYCKRUHBZ-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[C@H](C)[NH2+]C[C@@H](C[NH3+])C(C)C 230932062 572599571 /nfs/dbraw/zinc/59/95/71/572599571.db2.gz BDQIAYBRBPQQDM-WDEREUQCSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@H]1CCC[NH3+] 251640067 572599632 /nfs/dbraw/zinc/59/96/32/572599632.db2.gz JCBWCBXDGTYQBU-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H](C[NH3+])[C@@H]1CC[N@H+](C)C[C@@H]1C 251636231 572600290 /nfs/dbraw/zinc/60/02/90/572600290.db2.gz FRGXSJALAPAMPN-UTLUCORTSA-N 2 0 170.300 1.169 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C)C2)C1 251627060 572600730 /nfs/dbraw/zinc/60/07/30/572600730.db2.gz IBDQTXYCKRUHBZ-QJPTWQEYSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H](C[NH3+])C1[C@H](C)C[NH+](C)C[C@H]1C 251638856 572600850 /nfs/dbraw/zinc/60/08/50/572600850.db2.gz IZBPKBYXGXPZSF-OPRDCNLKSA-N 2 0 184.327 1.415 10 0 ADAERP C[C@H](C[NH3+])[C@H]1CC[N@H+](C)C[C@@H]1C 251636224 572600938 /nfs/dbraw/zinc/60/09/38/572600938.db2.gz FRGXSJALAPAMPN-KXUCPTDWSA-N 2 0 170.300 1.169 10 0 ADAERP C[C@H](C[NH3+])[C@@H]1CC[N@H+](C)C[C@H]1C 251636221 572600949 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VJWPXQNHCFSHSA-QMMMGPOBSA-N 2 0 158.289 1.631 10 0 ADAERP CC[C@@](C)(C[NH2+]C)C[NH+]1CCC1 308072173 572603682 /nfs/dbraw/zinc/60/36/82/572603682.db2.gz BYRQYMUVWUPHMM-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP C[C@@H]1C[N@H+](C)C[C@H]2CCC[C@H]2[NH2+]1 251674996 572607390 /nfs/dbraw/zinc/60/73/90/572607390.db2.gz HNPHWFDTVIZNJT-OPRDCNLKSA-N 2 0 168.284 1.079 10 0 ADAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C[NH2+]CC2CC2)C1 713407023 572607477 /nfs/dbraw/zinc/60/74/77/572607477.db2.gz AFRWTYVBTDPQOX-AXFHLTTASA-N 2 0 180.295 1.113 10 0 ADAERP CC(C)=CC[NH2+]CCC(C)(C)[NH3+] 308073719 572607691 /nfs/dbraw/zinc/60/76/91/572607691.db2.gz CKVUNMIMMVQTJT-UHFFFAOYSA-N 2 0 170.300 1.670 10 0 ADAERP C[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCC[N@@H+]1C 251680980 572609303 /nfs/dbraw/zinc/60/93/03/572609303.db2.gz ALCFYSPAKODPJJ-GMTAPVOTSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]([NH2+]CC1CCCC1)[C@@H](C)[NH3+] 308073627 572607842 /nfs/dbraw/zinc/60/78/42/572607842.db2.gz CJPMXZREBBMZNU-BDAKNGLRSA-N 2 0 170.300 1.502 10 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MTQRZGTXVMFXET-SECBINFHSA-N 2 0 191.234 1.209 10 0 ADAERP C[C@H]1CC[N@H+](C)C[C@@H](CC[NH3+])C1 251687519 572611113 /nfs/dbraw/zinc/61/11/13/572611113.db2.gz MWJHYFYNMVLMAI-UWVGGRQHSA-N 2 0 170.300 1.313 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H](CC[NH3+])C1 251687523 572611415 /nfs/dbraw/zinc/61/14/15/572611415.db2.gz MWJHYFYNMVLMAI-ZJUUUORDSA-N 2 0 170.300 1.313 10 0 ADAERP C[C@@H](C[NH3+])C[N@@H+]1CCCCC[C@@H]1C 69944412 572612560 /nfs/dbraw/zinc/61/25/60/572612560.db2.gz OZFBYFPOPRPRDU-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP Cn1cc[nH+]c1NCCCCCC[NH3+] 236079269 572612845 /nfs/dbraw/zinc/61/28/45/572612845.db2.gz SGCGRWYYXAXHCS-UHFFFAOYSA-N 2 0 196.298 1.351 10 0 ADAERP Nc1cc[nH+]cc1[C@@H](N)c1ccoc1 69946495 572612959 /nfs/dbraw/zinc/61/29/59/572612959.db2.gz NMYOADMIRBQTPZ-JTQLQIEISA-N 2 0 189.218 1.305 10 0 ADAERP CC[C@H](C[NH3+])CC[NH+]1CC=CC1 308074900 572613294 /nfs/dbraw/zinc/61/32/94/572613294.db2.gz DTEBIUGHKQPNDI-JTQLQIEISA-N 2 0 168.284 1.233 10 0 ADAERP 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KHVVSSFFSKNIHX-VIFPVBQESA-N 2 0 181.283 1.552 10 0 ADAERP C[NH+](C)CCC[C@@H]([NH3+])c1cc[nH]c1 74301519 572616222 /nfs/dbraw/zinc/61/62/22/572616222.db2.gz HCRMRDQDGPLSCI-SNVBAGLBSA-N 2 0 181.283 1.356 10 0 ADAERP CC[C@@H]([NH3+])CCCCCC[NH3+] 115340517 572616231 /nfs/dbraw/zinc/61/62/31/572616231.db2.gz DQDMGYNOBYJNHZ-SECBINFHSA-N 2 0 158.289 1.633 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCC1 308075798 572617546 /nfs/dbraw/zinc/61/75/46/572617546.db2.gz DFXYHWLCBNZTDH-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CC1([NH2+]C[C@]23C[C@H]([NH3+])C[C@H]2C3)CCC1 713417009 572616653 /nfs/dbraw/zinc/61/66/53/572616653.db2.gz FQMRZWILVHBLQM-UMNHJUIQSA-N 2 0 194.322 1.646 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@H]1[NH+]1CCC1 308075784 572616686 /nfs/dbraw/zinc/61/66/86/572616686.db2.gz DFXYHWLCBNZTDH-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP Cc1[nH]c(C[C@@H]([NH3+])C(C)C)c(C)[nH+]1 74301450 572617006 /nfs/dbraw/zinc/61/70/06/572617006.db2.gz KHVVSSFFSKNIHX-SECBINFHSA-N 2 0 181.283 1.552 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCC1 308075800 572617068 /nfs/dbraw/zinc/61/70/68/572617068.db2.gz DFXYHWLCBNZTDH-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP Cc1c(O)cccc1[C@@H](C)NCC[NH3+] 115306932 572617309 /nfs/dbraw/zinc/61/73/09/572617309.db2.gz NBKFJTOCBHZALF-SECBINFHSA-N 2 0 194.278 1.310 10 0 ADAERP C[C@H]([NH3+])[C@@H]1C[C@]12CCC[N@H+](C)CC2 251708089 572617653 /nfs/dbraw/zinc/61/76/53/572617653.db2.gz XZZSOMFTXMEXHL-GARJFASQSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]([NH3+])[C@H]1C[C@]12CCC[N@H+](C)CC2 251708090 572618232 /nfs/dbraw/zinc/61/82/32/572618232.db2.gz XZZSOMFTXMEXHL-HBNTYKKESA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H](C[NH3+])[C@@H]1CCCC[N@@H+]1C 83268929 572619069 /nfs/dbraw/zinc/61/90/69/572619069.db2.gz LTYWUDMSVDHAMV-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H](C[NH3+])[C@H]1CCCC[N@@H+]1C 83268931 572618707 /nfs/dbraw/zinc/61/87/07/572618707.db2.gz LTYWUDMSVDHAMV-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H](C[NH3+])[C@@H]1CCCC[N@@H+]1C 83268930 572618888 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XYJSGIYYCTUXHM-UHFFFAOYSA-N 2 0 192.262 1.609 10 0 ADAERP C[C@@H]1C[N@@H+](C)C[C@H](C)[C@@]12CC[NH2+]C2 251723693 572620811 /nfs/dbraw/zinc/62/08/11/572620811.db2.gz PYCPJMKPQCDIBW-JGPRNRPPSA-N 2 0 182.311 1.184 10 0 ADAERP CC1(C)C[NH+](C[C@]23C[C@@H]([NH3+])C[C@H]2C3)C1 713422318 572621790 /nfs/dbraw/zinc/62/17/90/572621790.db2.gz ZTRBJXAXAPXSJW-NHCYSSNCSA-N 2 0 194.322 1.456 10 0 ADAERP CC1(C)C[NH+](C[C@]23C[C@H]([NH3+])C[C@H]2C3)C1 713422351 572622181 /nfs/dbraw/zinc/62/21/81/572622181.db2.gz ZTRBJXAXAPXSJW-UMNHJUIQSA-N 2 0 194.322 1.456 10 0 ADAERP CCC[C@H]([NH3+])C1CC[NH+](C)CC1 74310651 572622692 /nfs/dbraw/zinc/62/26/92/572622692.db2.gz VSFIBXJMNNGFCK-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@@H]1[C@H]([NH3+])CC[N@H+](C)[C@@H]1C 74310711 572622787 /nfs/dbraw/zinc/62/27/87/572622787.db2.gz NZJKPOXNMRORMD-BBBLOLIVSA-N 2 0 170.300 1.310 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@@H](C[NH3+])C1 74310729 572622827 /nfs/dbraw/zinc/62/28/27/572622827.db2.gz ZBZVPOAUVIYLIW-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 74310646 572622848 /nfs/dbraw/zinc/62/28/48/572622848.db2.gz QTWREBBREVANBX-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC1([NH2+]C[C@]23C[C@H]([NH3+])C[C@H]2C3)CC1 713426893 572622905 /nfs/dbraw/zinc/62/29/05/572622905.db2.gz RGARQOXRJAUWNC-AXFHLTTASA-N 2 0 194.322 1.646 10 0 ADAERP CCC[C@@H]([NH3+])C1CC[NH+](C)CC1 74310652 572623255 /nfs/dbraw/zinc/62/32/55/572623255.db2.gz VSFIBXJMNNGFCK-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@H]1[C@H](C)[N@@H+](C)CC[C@H]1[NH3+] 74310713 572623006 /nfs/dbraw/zinc/62/30/06/572623006.db2.gz NZJKPOXNMRORMD-AEJSXWLSSA-N 2 0 170.300 1.310 10 0 ADAERP CCC[C@@H]([NH3+])[C@H]1CCC[N@H+](C)C1 74310650 572623148 /nfs/dbraw/zinc/62/31/48/572623148.db2.gz QTWREBBREVANBX-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH3+] 74310722 572623173 /nfs/dbraw/zinc/62/31/73/572623173.db2.gz MBSCLYQIDTVECD-KXUCPTDWSA-N 2 0 170.300 1.310 10 0 ADAERP CC(C)C[C@H]1CC[C@H]([NH3+])C[N@@H+]1C 74310667 572623215 /nfs/dbraw/zinc/62/32/15/572623215.db2.gz AXPPLWOWXFAJQY-VHSXEESVSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[C@@H]([NH3+])[C@H](C)[NH+]1CCCC1 74310701 572623264 /nfs/dbraw/zinc/62/32/64/572623264.db2.gz BSQLLACSHPDGPA-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 74310647 572623348 /nfs/dbraw/zinc/62/33/48/572623348.db2.gz QTWREBBREVANBX-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)[C@@H](CC[NH3+])C1CCCC1 74310693 572623370 /nfs/dbraw/zinc/62/33/70/572623370.db2.gz NRDXXEJZTZEPBN-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@H](C[NH3+])C1 74310727 572623499 /nfs/dbraw/zinc/62/34/99/572623499.db2.gz ZBZVPOAUVIYLIW-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CC[NH+](CC)[C@@H](CC[NH3+])C(C)C 74309841 572623525 /nfs/dbraw/zinc/62/35/25/572623525.db2.gz FKYOHABVVIGKJX-JTQLQIEISA-N 2 0 172.316 1.702 10 0 ADAERP CC[NH+](CC)[C@H](CC[NH3+])C(C)C 74309843 572623623 /nfs/dbraw/zinc/62/36/23/572623623.db2.gz FKYOHABVVIGKJX-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP CC[NH+](CC)[C@H]1CC[C@H](C[NH3+])C1 74310728 572623718 /nfs/dbraw/zinc/62/37/18/572623718.db2.gz ZBZVPOAUVIYLIW-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH2+][C@]1(C)C[C@@H](C)CCN(C)C1 251735343 572623802 /nfs/dbraw/zinc/62/38/02/572623802.db2.gz QVRDEAOQQUBCNP-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH3+] 74310719 572624026 /nfs/dbraw/zinc/62/40/26/572624026.db2.gz MBSCLYQIDTVECD-UTLUCORTSA-N 2 0 170.300 1.310 10 0 ADAERP CC(C)[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH3+] 74310720 572624056 /nfs/dbraw/zinc/62/40/56/572624056.db2.gz MBSCLYQIDTVECD-GUBZILKMSA-N 2 0 170.300 1.310 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC1(C)C 235268423 572627372 /nfs/dbraw/zinc/62/73/72/572627372.db2.gz IIBWWXQALKNWOY-UTLUCORTSA-N 2 0 182.311 1.230 10 0 ADAERP [NH3+]C1CCC([NH2+][C@H]2CCCOC2)CC1 70014251 572624068 /nfs/dbraw/zinc/62/40/68/572624068.db2.gz WFUKMMQNCXITPW-ILDUYXDCSA-N 2 0 198.310 1.025 10 0 ADAERP CC(C)C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74310680 572624097 /nfs/dbraw/zinc/62/40/97/572624097.db2.gz JZNPJBWSOSUVQO-UWVGGRQHSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH3+] 74310723 572624156 /nfs/dbraw/zinc/62/41/56/572624156.db2.gz MBSCLYQIDTVECD-LPEHRKFASA-N 2 0 170.300 1.310 10 0 ADAERP CCC1([NH2+]C[C@]23C[C@@H]([NH3+])C[C@H]2C3)CC1 713426894 572624212 /nfs/dbraw/zinc/62/42/12/572624212.db2.gz RGARQOXRJAUWNC-DCAQKATOSA-N 2 0 194.322 1.646 10 0 ADAERP CC(C)C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74310679 572624375 /nfs/dbraw/zinc/62/43/75/572624375.db2.gz JZNPJBWSOSUVQO-VHSXEESVSA-N 2 0 170.300 1.454 10 0 ADAERP COP([NH2+]C(C)C)[NH2+]C(C)C 238362293 572624477 /nfs/dbraw/zinc/62/44/77/572624477.db2.gz FXHIFDQKQNTQLO-UHFFFAOYSA-N 2 0 178.216 1.856 10 0 ADAERP C[C@H]([NH3+])CN1CCC2(CC2)[C@@H](C)C1 251743543 572627391 /nfs/dbraw/zinc/62/73/91/572627391.db2.gz KYWUKNSXWIMKIP-UWVGGRQHSA-N 2 0 182.311 1.456 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572625491 /nfs/dbraw/zinc/62/54/91/572625491.db2.gz NRDXXEJZTZEPBN-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@H](C)[C@H]1C[N@H+](C)CC[C@H]1[NH3+] 251730645 572625518 /nfs/dbraw/zinc/62/55/18/572625518.db2.gz FNMDSFPZEQBYCU-IVZWLZJFSA-N 2 0 170.300 1.312 10 0 ADAERP CC[NH+](CC)[C@H]1CC[C@@H](C[NH3+])C1 74310730 572625599 /nfs/dbraw/zinc/62/55/99/572625599.db2.gz ZBZVPOAUVIYLIW-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCn1cc[nH+]c1NC[C@H]([NH3+])C(C)C 70010897 572625704 /nfs/dbraw/zinc/62/57/04/572625704.db2.gz PFDQZEMFLYDZGJ-VIFPVBQESA-N 2 0 196.298 1.298 10 0 ADAERP CC(C)C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C 74310669 572625801 /nfs/dbraw/zinc/62/58/01/572625801.db2.gz AXPPLWOWXFAJQY-NXEZZACHSA-N 2 0 170.300 1.454 10 0 ADAERP [NH3+]C1CCC([NH2+][C@@H]2CCCOC2)CC1 70014254 572625812 /nfs/dbraw/zinc/62/58/12/572625812.db2.gz WFUKMMQNCXITPW-VQXHTEKXSA-N 2 0 198.310 1.025 10 0 ADAERP CC[C@H](C)[C@@H]1C[N@H+](C)CC[C@H]1[NH3+] 251730646 572626142 /nfs/dbraw/zinc/62/61/42/572626142.db2.gz FNMDSFPZEQBYCU-LPEHRKFASA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H]1CC[N@H+](C2CC2)[C@@H](C)C[NH2+]1 251740892 572626162 /nfs/dbraw/zinc/62/61/62/572626162.db2.gz RHYFGBNJYDFCID-IUCAKERBSA-N 2 0 168.284 1.221 10 0 ADAERP C[C@H]1C[NH2+][C@H](C)CC[N@@H+]1C1CC1 251740890 572626544 /nfs/dbraw/zinc/62/65/44/572626544.db2.gz RHYFGBNJYDFCID-BDAKNGLRSA-N 2 0 168.284 1.221 10 0 ADAERP C[C@H]([NH3+])CN1CCC2(CC2)[C@H](C)C1 251743549 572627889 /nfs/dbraw/zinc/62/78/89/572627889.db2.gz KYWUKNSXWIMKIP-ZJUUUORDSA-N 2 0 182.311 1.456 10 0 ADAERP CC[NH2+]CC[C@H](C)[NH+]1CC=CC1 308078689 572628059 /nfs/dbraw/zinc/62/80/59/572628059.db2.gz HHVAPHCLWHHKOK-JTQLQIEISA-N 2 0 168.284 1.246 10 0 ADAERP CC[NH2+]CC[C@@H](C)[NH+]1CC=CC1 308078692 572629066 /nfs/dbraw/zinc/62/90/66/572629066.db2.gz HHVAPHCLWHHKOK-SNVBAGLBSA-N 2 0 168.284 1.246 10 0 ADAERP C[C@@H]1C[N@@H+](C)C[C@H](C)[C@H]1[C@@H](C)[NH3+] 251770157 572630209 /nfs/dbraw/zinc/63/02/09/572630209.db2.gz VBVYNTGAAQYVNU-RGOKHQFPSA-N 2 0 170.300 1.167 10 0 ADAERP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C)C1 70047188 572630974 /nfs/dbraw/zinc/63/09/74/572630974.db2.gz DUIWXDRJQYVKQO-SNVBAGLBSA-N 2 0 191.278 1.506 10 0 ADAERP C[C@H]([NH3+])C1[C@@H](C)C[NH+](C)C[C@@H]1C 251770152 572631144 /nfs/dbraw/zinc/63/11/44/572631144.db2.gz VBVYNTGAAQYVNU-CIUDSAMLSA-N 2 0 170.300 1.167 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 251771098 572631763 /nfs/dbraw/zinc/63/17/63/572631763.db2.gz VDCOSMGCNMMWPN-DDHJBXDOSA-N 2 0 196.338 1.844 10 0 ADAERP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](C)C1 70047190 572632907 /nfs/dbraw/zinc/63/29/07/572632907.db2.gz DUIWXDRJQYVKQO-JTQLQIEISA-N 2 0 191.278 1.506 10 0 ADAERP Cc1c[nH+]ccc1N(C)C[C@H](C)[NH3+] 70048257 572631843 /nfs/dbraw/zinc/63/18/43/572631843.db2.gz DLUOKBZMWXADRT-VIFPVBQESA-N 2 0 179.267 1.173 10 0 ADAERP Cc1c[nH+]ccc1N(C)C[C@@H](C)[NH3+] 70048255 572631965 /nfs/dbraw/zinc/63/19/65/572631965.db2.gz DLUOKBZMWXADRT-SECBINFHSA-N 2 0 179.267 1.173 10 0 ADAERP C[C@H]([NH3+])[C@H]1[C@H](C)C[N@@H+](C)C[C@@H]1C 251770155 572631970 /nfs/dbraw/zinc/63/19/70/572631970.db2.gz VBVYNTGAAQYVNU-QCLAVDOMSA-N 2 0 170.300 1.167 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 251771100 572632055 /nfs/dbraw/zinc/63/20/55/572632055.db2.gz VDCOSMGCNMMWPN-WISYIIOYSA-N 2 0 196.338 1.844 10 0 ADAERP CC[C@@H]1C[C@@]1([NH3+])C[C@H]1CCC[N@H+](C)C1 251768404 572632361 /nfs/dbraw/zinc/63/23/61/572632361.db2.gz VVLDQXAQKHTRFK-UTUOFQBUSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H]1C[C@]1([NH3+])C[C@H]1CCC[N@H+](C)C1 251768402 572632733 /nfs/dbraw/zinc/63/27/33/572632733.db2.gz VVLDQXAQKHTRFK-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C1 251771102 572632751 /nfs/dbraw/zinc/63/27/51/572632751.db2.gz VDCOSMGCNMMWPN-WRWGMCAJSA-N 2 0 196.338 1.844 10 0 ADAERP CCCCC[NH2+]C1CC([NH3+])C1 87651053 572633311 /nfs/dbraw/zinc/63/33/11/572633311.db2.gz PKRQAPVALZEQTH-UHFFFAOYSA-N 2 0 156.273 1.256 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]C1CC([NH3+])C1 87651329 572633441 /nfs/dbraw/zinc/63/34/41/572633441.db2.gz WOWBZISZXAKLOV-XNWIYYODSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@H]([NH3+])C1[C@H](C)C[NH+](C)C[C@H]1C 251770153 572633444 /nfs/dbraw/zinc/63/34/44/572633444.db2.gz VBVYNTGAAQYVNU-HLTSFMKQSA-N 2 0 170.300 1.167 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])Cc1cccnc1 85054812 572633929 /nfs/dbraw/zinc/63/39/29/572633929.db2.gz ORCBDEZEGCMSKA-NSCUHMNNSA-N 2 0 191.278 1.028 10 0 ADAERP CC[C@@H](C)[N@H+](CC)C/C=C/C[NH3+] 85054792 572633887 /nfs/dbraw/zinc/63/38/87/572633887.db2.gz LUDYLHCYAHFZJT-VQCYPWCPSA-N 2 0 170.300 1.622 10 0 ADAERP CC(C)CC[C@H](C)[NH2+]C1CC([NH3+])C1 87651188 572633931 /nfs/dbraw/zinc/63/39/31/572633931.db2.gz PXDHRBQBZHNVDA-WHXUTIOJSA-N 2 0 184.327 1.890 10 0 ADAERP CC[C@@H](C)[N@H+](C)C/C=C/C[NH3+] 85054789 572634028 /nfs/dbraw/zinc/63/40/28/572634028.db2.gz IGRBWSQMOUWBQA-VUHVRTRXSA-N 2 0 156.273 1.232 10 0 ADAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C/C=C/C[NH3+] 85054878 572634076 /nfs/dbraw/zinc/63/40/76/572634076.db2.gz NICIJAQPWGYHPT-BXXZLRJFSA-N 2 0 198.310 1.001 10 0 ADAERP CCC(CC)[N@H+](C)C/C=C/C[NH3+] 85054819 572634143 /nfs/dbraw/zinc/63/41/43/572634143.db2.gz MNIQMWNZKQKITE-VOTSOKGWSA-N 2 0 170.300 1.622 10 0 ADAERP CCC[C@@H](C)[N@H+](C)C/C=C/C[NH3+] 85054820 572635281 /nfs/dbraw/zinc/63/52/81/572635281.db2.gz XQBDVCKIKXWJHA-BRAIEQGRSA-N 2 0 170.300 1.622 10 0 ADAERP CC[N@H+](C/C=C/C[NH3+])C1CCCC1 85054805 572634214 /nfs/dbraw/zinc/63/42/14/572634214.db2.gz YNRPNSKJXZXHOV-AATRIKPKSA-N 2 0 182.311 1.766 10 0 ADAERP [NH3+]C1CC([NH2+]CCc2cccs2)C1 87651135 572634218 /nfs/dbraw/zinc/63/42/18/572634218.db2.gz NNFPIZHAEHOXCC-UHFFFAOYSA-N 2 0 196.319 1.370 10 0 ADAERP CC[C@H](C)[N@H+](C)C/C=C/C[NH3+] 85054790 572634261 /nfs/dbraw/zinc/63/42/61/572634261.db2.gz IGRBWSQMOUWBQA-CYNONHLPSA-N 2 0 156.273 1.232 10 0 ADAERP CC(C)C[N@H+](C)C/C=C/C[NH3+] 85054788 572634299 /nfs/dbraw/zinc/63/42/99/572634299.db2.gz FDCGGWOVIQKROQ-SNAWJCMRSA-N 2 0 156.273 1.089 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)C/C=C/C[NH3+] 85054816 572634333 /nfs/dbraw/zinc/63/43/33/572634333.db2.gz HWFGNGJJSDSGQV-CDAZIORVSA-N 2 0 168.284 1.232 10 0 ADAERP CC[N@H+](C/C=C/C[NH3+])C(C)C 85054780 572634353 /nfs/dbraw/zinc/63/43/53/572634353.db2.gz XDBZXHUAELALLL-AATRIKPKSA-N 2 0 156.273 1.232 10 0 ADAERP CCC[N@H+](C/C=C/C[NH3+])C1CC1 85054786 572634574 /nfs/dbraw/zinc/63/45/74/572634574.db2.gz ILUOJHHRUNTAHE-ONEGZZNKSA-N 2 0 168.284 1.376 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])Cc1ccco1 85054802 572634469 /nfs/dbraw/zinc/63/44/69/572634469.db2.gz WLHJTWBJYOOFQN-NSCUHMNNSA-N 2 0 180.251 1.226 10 0 ADAERP CC[C@@H](C)C[N@H+](C)C/C=C/C[NH3+] 85054795 572634501 /nfs/dbraw/zinc/63/45/01/572634501.db2.gz YOCKMGYEYGKKOK-BRAIEQGRSA-N 2 0 170.300 1.479 10 0 ADAERP CC(C)CC[C@@H](C)[NH2+]C1CC([NH3+])C1 87651187 572634625 /nfs/dbraw/zinc/63/46/25/572634625.db2.gz PXDHRBQBZHNVDA-KPPDAEKUSA-N 2 0 184.327 1.890 10 0 ADAERP CCCCCC[NH2+]C1CC([NH3+])C1 87651237 572634662 /nfs/dbraw/zinc/63/46/62/572634662.db2.gz YUDAHVCUYFJDSE-UHFFFAOYSA-N 2 0 170.300 1.646 10 0 ADAERP CC[C@H](C)C[N@H+](C)C/C=C/C[NH3+] 85054796 572635311 /nfs/dbraw/zinc/63/53/11/572635311.db2.gz YOCKMGYEYGKKOK-PORFMDCZSA-N 2 0 170.300 1.479 10 0 ADAERP CC[C@H]1CCC[N@H+](C/C=C/C[NH3+])C1 85054824 572634674 /nfs/dbraw/zinc/63/46/74/572634674.db2.gz CVTPEGNUWXNXRA-UFFNRZRYSA-N 2 0 182.311 1.623 10 0 ADAERP CC(C)C[C@H](C)[NH2+]C1CC([NH3+])C1 87651330 572634722 /nfs/dbraw/zinc/63/47/22/572634722.db2.gz WOWBZISZXAKLOV-IDKOKCKLSA-N 2 0 170.300 1.500 10 0 ADAERP CCOC1CC[NH+](C/C=C/C[NH3+])CC1 85054850 572634776 /nfs/dbraw/zinc/63/47/76/572634776.db2.gz PZBZHUZCTWSBIC-ONEGZZNKSA-N 2 0 198.310 1.002 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])Cc1ccccn1 85054814 572634852 /nfs/dbraw/zinc/63/48/52/572634852.db2.gz BRSZPDCVGDNKRM-HWKANZROSA-N 2 0 191.278 1.028 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])C[C@H]1CCCCO1 85054887 572634880 /nfs/dbraw/zinc/63/48/80/572634880.db2.gz BEOMJKOOCZWJMA-PGLGOXFNSA-N 2 0 198.310 1.002 10 0 ADAERP C[C@H]1CCC[C@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 87651154 572634898 /nfs/dbraw/zinc/63/48/98/572634898.db2.gz WINKIMIFSMKRIM-GSRULGPHSA-N 2 0 196.338 1.890 10 0 ADAERP CC[C@@H]1CCCC[N@@H+]1C/C=C/C[NH3+] 85054781 572635055 /nfs/dbraw/zinc/63/50/55/572635055.db2.gz KRCMSRQEWQLXRZ-DUMNWFOQSA-N 2 0 182.311 1.766 10 0 ADAERP CCC[N@H+](C/C=C/C[NH3+])C(C)C 85054785 572635154 /nfs/dbraw/zinc/63/51/54/572635154.db2.gz OMQIBPFYJUBNLJ-AATRIKPKSA-N 2 0 170.300 1.622 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])C1CCCCC1 85054762 572635221 /nfs/dbraw/zinc/63/52/21/572635221.db2.gz XRDPYONYQLVBSM-AATRIKPKSA-N 2 0 182.311 1.766 10 0 ADAERP C[C@@H]1CC[C@@H]2[C@@H](C[NH3+])C[N@H+](C)C[C@H]2C1 251773441 572635225 /nfs/dbraw/zinc/63/52/25/572635225.db2.gz KURHONZEZBDUDP-WYUUTHIRSA-N 2 0 196.338 1.559 10 0 ADAERP [NH3+]C1CC([NH2+]CCc2ccccc2)C1 87651115 572635511 /nfs/dbraw/zinc/63/55/11/572635511.db2.gz ZLWSCHQAIOAWQL-UHFFFAOYSA-N 2 0 190.290 1.308 10 0 ADAERP CCC[N@H+](C/C=C/C[NH3+])CC1CC1 85054800 572635556 /nfs/dbraw/zinc/63/55/56/572635556.db2.gz BMGMJGAXFRHDEY-ONEGZZNKSA-N 2 0 182.311 1.623 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)C/C=C/C[NH3+] 85054815 572635684 /nfs/dbraw/zinc/63/56/84/572635684.db2.gz HWFGNGJJSDSGQV-NWALNABHSA-N 2 0 168.284 1.232 10 0 ADAERP CC[N@H+](C/C=C/C[NH3+])CC(C)C 85054791 572635768 /nfs/dbraw/zinc/63/57/68/572635768.db2.gz XZTSTZLAGNQFKH-AATRIKPKSA-N 2 0 170.300 1.479 10 0 ADAERP [NH3+]C1CC([NH2+]C(C2CC2)C2CC2)C1 87651216 572635800 /nfs/dbraw/zinc/63/58/00/572635800.db2.gz SRABXSAZKYFFAO-UHFFFAOYSA-N 2 0 180.295 1.254 10 0 ADAERP CCCC[N@H+](C)C/C=C/C[NH3+] 85054749 572635830 /nfs/dbraw/zinc/63/58/30/572635830.db2.gz AQJPXKTWHGKDLQ-AATRIKPKSA-N 2 0 156.273 1.233 10 0 ADAERP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C(C)C 251761760 572637041 /nfs/dbraw/zinc/63/70/41/572637041.db2.gz VIJWKNSRULBDRB-UTUOFQBUSA-N 2 0 196.338 1.857 10 0 ADAERP CC(C)CC[N@H+](C)C/C=C/C[NH3+] 85054880 572635994 /nfs/dbraw/zinc/63/59/94/572635994.db2.gz SPGMTLGBHXDVNJ-SNAWJCMRSA-N 2 0 170.300 1.479 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])Cc1cccs1 85054803 572636018 /nfs/dbraw/zinc/63/60/18/572636018.db2.gz PDWLLXQVQOHLIF-NSCUHMNNSA-N 2 0 196.319 1.695 10 0 ADAERP CCC[C@H](C)[N@H+](C)C/C=C/C[NH3+] 85054821 572637046 /nfs/dbraw/zinc/63/70/46/572637046.db2.gz XQBDVCKIKXWJHA-PORFMDCZSA-N 2 0 170.300 1.622 10 0 ADAERP CC[C@H]1CCCC[N@@H+]1C/C=C/C[NH3+] 85054782 572636075 /nfs/dbraw/zinc/63/60/75/572636075.db2.gz KRCMSRQEWQLXRZ-MALLOTDXSA-N 2 0 182.311 1.766 10 0 ADAERP C[C@@H]1CC[C@@H]2[C@H](C[NH3+])C[N@H+](C)C[C@@H]2C1 251773437 572636097 /nfs/dbraw/zinc/63/60/97/572636097.db2.gz KURHONZEZBDUDP-KXNHARMFSA-N 2 0 196.338 1.559 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C1CC([NH3+])C1 87652019 572637053 /nfs/dbraw/zinc/63/70/53/572637053.db2.gz CCJHWVLCBJLFGJ-XNWIYYODSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+]C1CC([NH2+]CCC2=CCCCC2)C1 87651167 572636183 /nfs/dbraw/zinc/63/61/83/572636183.db2.gz KRTBPOZUYPFCPZ-UHFFFAOYSA-N 2 0 194.322 1.956 10 0 ADAERP CC[C@@H]1CCC[N@H+](C/C=C/C[NH3+])C1 85054823 572636294 /nfs/dbraw/zinc/63/62/94/572636294.db2.gz CVTPEGNUWXNXRA-PGLGOXFNSA-N 2 0 182.311 1.623 10 0 ADAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1C/C=C/C[NH3+] 85054876 572636307 /nfs/dbraw/zinc/63/63/07/572636307.db2.gz NICIJAQPWGYHPT-XKFHPXPTSA-N 2 0 198.310 1.001 10 0 ADAERP Cc1occc1C[N@H+](C)C/C=C/C[NH3+] 85054875 572636386 /nfs/dbraw/zinc/63/63/86/572636386.db2.gz BOPVNUFSTKWKKH-ONEGZZNKSA-N 2 0 194.278 1.535 10 0 ADAERP CC[C@H]1CCC[N@@H+]1C/C=C/C[NH3+] 85054847 572636396 /nfs/dbraw/zinc/63/63/96/572636396.db2.gz SRDCUWGSCLCQKB-FSIBCCDJSA-N 2 0 168.284 1.376 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C/C=C/C[NH3+] 85054818 572636402 /nfs/dbraw/zinc/63/64/02/572636402.db2.gz ZBLCZCOZQJYWPF-PORFMDCZSA-N 2 0 170.300 1.478 10 0 ADAERP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C(C)C 251761758 572636426 /nfs/dbraw/zinc/63/64/26/572636426.db2.gz VIJWKNSRULBDRB-IJLUTSLNSA-N 2 0 196.338 1.857 10 0 ADAERP C[C@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 87651156 572636459 /nfs/dbraw/zinc/63/64/59/572636459.db2.gz WINKIMIFSMKRIM-GSKRZPMYSA-N 2 0 196.338 1.890 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])Cc1ccncc1 85054813 572637058 /nfs/dbraw/zinc/63/70/58/572637058.db2.gz PNEAKSHMDGKAST-NSCUHMNNSA-N 2 0 191.278 1.028 10 0 ADAERP CCC[NH+](C/C=C/C[NH3+])CCC 85054748 572636545 /nfs/dbraw/zinc/63/65/45/572636545.db2.gz NRCYMLLFVBPKRG-AATRIKPKSA-N 2 0 170.300 1.623 10 0 ADAERP CC[C@@H]1[C@H]([NH3+])CC[N@@H+](C)[C@@H]1C 251760671 572636624 /nfs/dbraw/zinc/63/66/24/572636624.db2.gz VFUHKAZDHFTRFE-HRDYMLBCSA-N 2 0 156.273 1.064 10 0 ADAERP CC[C@H]1[C@H](C)[N@H+](C)CC[C@H]1[NH3+] 251760674 572636799 /nfs/dbraw/zinc/63/67/99/572636799.db2.gz VFUHKAZDHFTRFE-XHNCKOQMSA-N 2 0 156.273 1.064 10 0 ADAERP CC[N@H+](C/C=C/C[NH3+])C[C@H]1CCCO1 85054890 572636845 /nfs/dbraw/zinc/63/68/45/572636845.db2.gz PQZWHZNIHLACLP-PGLGOXFNSA-N 2 0 198.310 1.002 10 0 ADAERP CC[C@H](C)[N@H+](CC)C/C=C/C[NH3+] 85054793 572636906 /nfs/dbraw/zinc/63/69/06/572636906.db2.gz LUDYLHCYAHFZJT-FGEFZZPRSA-N 2 0 170.300 1.622 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)C/C=C/C[NH3+] 85054817 572636923 /nfs/dbraw/zinc/63/69/23/572636923.db2.gz ZBLCZCOZQJYWPF-BRAIEQGRSA-N 2 0 170.300 1.478 10 0 ADAERP CC(C)C[N@H+](C(C)C)C1CC([NH3+])C1 87653405 572637133 /nfs/dbraw/zinc/63/71/33/572637133.db2.gz KTBKVXDQTMMWSU-UHFFFAOYSA-N 2 0 184.327 1.843 10 0 ADAERP CCC1CC[NH+](C/C=C/C[NH3+])CC1 85054873 572637162 /nfs/dbraw/zinc/63/71/62/572637162.db2.gz KPSVRRFUBSGPFB-ONEGZZNKSA-N 2 0 182.311 1.623 10 0 ADAERP CCC[N@H+](CC)C/C=C/C[NH3+] 85054784 572637166 /nfs/dbraw/zinc/63/71/66/572637166.db2.gz STGVYMQWCIEURT-AATRIKPKSA-N 2 0 156.273 1.233 10 0 ADAERP C[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)C[C@@H]1C 87652034 572637183 /nfs/dbraw/zinc/63/71/83/572637183.db2.gz BCSSDEZPWYPUSH-TWFPBLDLSA-N 2 0 196.338 1.890 10 0 ADAERP C[NH2+]C[C@H](C)[C@H]([NH3+])c1ccccc1 87645736 572637191 /nfs/dbraw/zinc/63/71/91/572637191.db2.gz ACNZOSLZQOOSBT-ONGXEEELSA-N 2 0 178.279 1.542 10 0 ADAERP CCCC[C@H](C)[NH2+]C1CC([NH3+])C1 87651856 572637215 /nfs/dbraw/zinc/63/72/15/572637215.db2.gz CKACJOHRQNZMHK-IDKOKCKLSA-N 2 0 170.300 1.644 10 0 ADAERP CCC(CC)[C@H](C)[NH2+]C1CC([NH3+])C1 87651961 572637225 /nfs/dbraw/zinc/63/72/25/572637225.db2.gz XVQKJILBRSDBFE-PUSIOWJLSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H](Cc1ccco1)[NH2+]C1CC([NH3+])C1 87651453 572638320 /nfs/dbraw/zinc/63/83/20/572638320.db2.gz ALTCKLWLBNZXEQ-XNWIYYODSA-N 2 0 194.278 1.290 10 0 ADAERP CC[C@H](C)[C@@H](C)[NH2+]C1CC([NH3+])C1 87651749 572637279 /nfs/dbraw/zinc/63/72/79/572637279.db2.gz YKNTZELXAVEBHR-AFWXGSBKSA-N 2 0 170.300 1.500 10 0 ADAERP [NH3+]C1CC([NH2+]CCc2ccsc2)C1 87651759 572637308 /nfs/dbraw/zinc/63/73/08/572637308.db2.gz KWPCARBNZKODGB-UHFFFAOYSA-N 2 0 196.319 1.370 10 0 ADAERP CCCC[N@H+](CC)C/C=C/C[NH3+] 85054755 572637323 /nfs/dbraw/zinc/63/73/23/572637323.db2.gz NZFONGUIDAVESM-VOTSOKGWSA-N 2 0 170.300 1.623 10 0 ADAERP CC(C)[N@H+](CC1CC1)C1CC([NH3+])C1 87653406 572637326 /nfs/dbraw/zinc/63/73/26/572637326.db2.gz VBQKNONPWBKHOX-UHFFFAOYSA-N 2 0 182.311 1.597 10 0 ADAERP CC[C@@H](C)[C@@H](C)[NH2+]C1CC([NH3+])C1 87651748 572637416 /nfs/dbraw/zinc/63/74/16/572637416.db2.gz YKNTZELXAVEBHR-LGUIWLBCSA-N 2 0 170.300 1.500 10 0 ADAERP CCC[C@H](CC)[NH2+]C1CC([NH3+])C1 87651851 572637534 /nfs/dbraw/zinc/63/75/34/572637534.db2.gz DXCOSYNEONSHHG-KYHHOPLUSA-N 2 0 170.300 1.644 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])Cc1ccoc1 85054874 572637587 /nfs/dbraw/zinc/63/75/87/572637587.db2.gz CBSYREUTIIVEHW-NSCUHMNNSA-N 2 0 180.251 1.226 10 0 ADAERP CCCC1C[NH+](C[C@@H]2CC[NH2+]C2)C1 87655467 572637653 /nfs/dbraw/zinc/63/76/53/572637653.db2.gz JLORAIMXNQBWKS-SNVBAGLBSA-N 2 0 182.311 1.328 10 0 ADAERP CC[C@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 87652051 572637756 /nfs/dbraw/zinc/63/77/56/572637756.db2.gz CXDCRTBLGPXLAC-SGCDDIOWSA-N 2 0 196.338 1.890 10 0 ADAERP CC(C)[C@@H](C)C[NH2+]C1CC([NH3+])C1 87652018 572637761 /nfs/dbraw/zinc/63/77/61/572637761.db2.gz CCJHWVLCBJLFGJ-IDKOKCKLSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@@H](C)C[C@H](C)[NH2+]C1CC([NH3+])C1 87652083 572637863 /nfs/dbraw/zinc/63/78/63/572637863.db2.gz RMFNNDMCBLTWTL-MFQSTILNSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 87652049 572637929 /nfs/dbraw/zinc/63/79/29/572637929.db2.gz MTEZLXWZMNSRBF-MWOGMGPXSA-N 2 0 182.311 1.500 10 0 ADAERP C[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H](C)N1 251806130 572637935 /nfs/dbraw/zinc/63/79/35/572637935.db2.gz YJJYMGMDGZLZPS-VHSXEESVSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H]([NH3+])c1ccccc1 87645744 572637988 /nfs/dbraw/zinc/63/79/88/572637988.db2.gz FUUAVPYIOPKBAC-PWSUYJOCSA-N 2 0 192.306 1.932 10 0 ADAERP CC(C)C[C@H](C)[N@H+](C)C1CC([NH3+])C1 87653402 572638030 /nfs/dbraw/zinc/63/80/30/572638030.db2.gz BNZDGQSOTRDLKO-WHXUTIOJSA-N 2 0 184.327 1.843 10 0 ADAERP C[C@@H]1CC[N@@H+](C(C)(C)C)C[C@@H](C)N1 251806126 572638245 /nfs/dbraw/zinc/63/82/45/572638245.db2.gz YJJYMGMDGZLZPS-NXEZZACHSA-N 2 0 184.327 1.857 10 0 ADAERP CSC[C@@H](C)C[NH2+]C1CC([NH3+])C1 87651968 572638185 /nfs/dbraw/zinc/63/81/85/572638185.db2.gz KQYOEJDJDUTZKW-UEJVZZJDSA-N 2 0 188.340 1.065 10 0 ADAERP CC[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 87652053 572638198 /nfs/dbraw/zinc/63/81/98/572638198.db2.gz CXDCRTBLGPXLAC-FESBJMALSA-N 2 0 196.338 1.890 10 0 ADAERP CCC(CC)[NH2+]C[C@@H]1CC[NH2+]C1 87655421 572638283 /nfs/dbraw/zinc/63/82/83/572638283.db2.gz YXEMPZBBJWWRKX-SECBINFHSA-N 2 0 170.300 1.374 10 0 ADAERP CC[N@H+](C/C=C/C[NH3+])CC1CC1 85055154 572638361 /nfs/dbraw/zinc/63/83/61/572638361.db2.gz CBTCQWFYKUGGNJ-ONEGZZNKSA-N 2 0 168.284 1.233 10 0 ADAERP CCC[C@@H](C)[N@H+](C)C1CC([NH3+])C1 87653230 572638370 /nfs/dbraw/zinc/63/83/70/572638370.db2.gz KIRMWKUNMDZZCI-XNWIYYODSA-N 2 0 170.300 1.597 10 0 ADAERP CC[C@@H](C)[N@H+](CC)C1CC([NH3+])C1 87653200 572638416 /nfs/dbraw/zinc/63/84/16/572638416.db2.gz XOOIKLHASSFMLC-XNWIYYODSA-N 2 0 170.300 1.597 10 0 ADAERP CCC[C@H](C)[N@H+](C)C1CC([NH3+])C1 87653231 572638552 /nfs/dbraw/zinc/63/85/52/572638552.db2.gz KIRMWKUNMDZZCI-IDKOKCKLSA-N 2 0 170.300 1.597 10 0 ADAERP CCCC[N@H+](C1CC1)C1CC([NH3+])C1 87653334 572638571 /nfs/dbraw/zinc/63/85/71/572638571.db2.gz SLBSJQJRHMSIKW-UHFFFAOYSA-N 2 0 182.311 1.741 10 0 ADAERP CCC(C)(C)[N@H+](C)C/C=C/C[NH3+] 85055157 572638632 /nfs/dbraw/zinc/63/86/32/572638632.db2.gz BZJPAOQKMGZJQY-VOTSOKGWSA-N 2 0 170.300 1.622 10 0 ADAERP CCC[N@H+](CC1CC1)C1CC([NH3+])C1 87653265 572638674 /nfs/dbraw/zinc/63/86/74/572638674.db2.gz LZEQDWDDIVFCHP-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@H]([NH2+]C1CC([NH3+])C1)C(C)C 87651755 572638713 /nfs/dbraw/zinc/63/87/13/572638713.db2.gz YUYVYYLQKCBJGC-RTBKNWGFSA-N 2 0 170.300 1.500 10 0 ADAERP CC[C@H](C)[N@H+](CC)C1CC([NH3+])C1 87653201 572638725 /nfs/dbraw/zinc/63/87/25/572638725.db2.gz XOOIKLHASSFMLC-IDKOKCKLSA-N 2 0 170.300 1.597 10 0 ADAERP CC[C@H](C)C[C@H](C)[NH2+]C1CC([NH3+])C1 87652084 572638741 /nfs/dbraw/zinc/63/87/41/572638741.db2.gz RMFNNDMCBLTWTL-SAAXCQNUSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H]([NH3+])CCCC[NH+]1CC=CC1 308083457 572638756 /nfs/dbraw/zinc/63/87/56/572638756.db2.gz LJWXKOVZDNBZSP-JTQLQIEISA-N 2 0 168.284 1.376 10 0 ADAERP CCC(CC)[C@@H](C)[NH2+]C1CC([NH3+])C1 87651960 572638804 /nfs/dbraw/zinc/63/88/04/572638804.db2.gz XVQKJILBRSDBFE-MFAVDMRSSA-N 2 0 184.327 1.890 10 0 ADAERP [NH3+]C1CC([NH2+]CCC(F)(F)F)C1 87651925 572638830 /nfs/dbraw/zinc/63/88/30/572638830.db2.gz QLWJXPCBIBHPIE-UHFFFAOYSA-N 2 0 182.189 1.018 10 0 ADAERP [NH3+]C1CC([NH2+]CCC2CCCC2)C1 87651630 572638867 /nfs/dbraw/zinc/63/88/67/572638867.db2.gz ZRBKTPWTCUQUEO-UHFFFAOYSA-N 2 0 182.311 1.646 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@@H]([NH3+])c1ccccc1 87645748 572638928 /nfs/dbraw/zinc/63/89/28/572638928.db2.gz FUUAVPYIOPKBAC-ZYHUDNBSSA-N 2 0 192.306 1.932 10 0 ADAERP CCC1(CC)C[NH+](C[C@@H]2CC[NH2+]C2)C1 87655463 572638938 /nfs/dbraw/zinc/63/89/38/572638938.db2.gz MNYRLORRNVNXNR-LLVKDONJSA-N 2 0 196.338 1.718 10 0 ADAERP C[C@@H](CC1CC1)[N@@H+]1CCCNCC1 70104334 572638941 /nfs/dbraw/zinc/63/89/41/572638941.db2.gz IVYDJZHQODOFGB-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+]C[C@@H](C)[C@H]([NH3+])c1ccccc1 87645738 572638957 /nfs/dbraw/zinc/63/89/57/572638957.db2.gz ACNZOSLZQOOSBT-KOLCDFICSA-N 2 0 178.279 1.542 10 0 ADAERP C[C@@H](CC1CC1)[N@@H+]1CCNC[C@@H](C)C1 70104368 572639079 /nfs/dbraw/zinc/63/90/79/572639079.db2.gz DDMWDMIZZQAGHB-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CS[C@H](C)C[NH2+][C@@H](C)[C@@H](C)[NH3+] 307852256 572649281 /nfs/dbraw/zinc/64/92/81/572649281.db2.gz BZJAPUVAFQECOB-PRJMDXOYSA-N 2 0 176.329 1.063 10 0 ADAERP C[C@@H]([NH3+])CCCC[NH+]1CC=CC1 308083458 572639177 /nfs/dbraw/zinc/63/91/77/572639177.db2.gz LJWXKOVZDNBZSP-SNVBAGLBSA-N 2 0 168.284 1.376 10 0 ADAERP CCC[N@H+](C1CC1)C1CC([NH3+])C1 87653194 572639201 /nfs/dbraw/zinc/63/92/01/572639201.db2.gz PYICQUYOXGAPQL-UHFFFAOYSA-N 2 0 168.284 1.351 10 0 ADAERP [NH3+]C/C=C/C[NH+](CC1CC1)CC1CC1 85055176 572639241 /nfs/dbraw/zinc/63/92/41/572639241.db2.gz NAIOBDBTFVEZJA-OWOJBTEDSA-N 2 0 194.322 1.623 10 0 ADAERP CCCC[N@H+](CC)C1CC([NH3+])C1 87653165 572639468 /nfs/dbraw/zinc/63/94/68/572639468.db2.gz XOQBKQQNDVXKDT-UHFFFAOYSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[N@H+](C(C)C)C1CC([NH3+])C1 87653193 572639541 /nfs/dbraw/zinc/63/95/41/572639541.db2.gz UIZGMQKDBUWPNV-UHFFFAOYSA-N 2 0 170.300 1.597 10 0 ADAERP CCO[C@H]1CCC[N@H+](C/C=C/C[NH3+])C1 85054924 572639563 /nfs/dbraw/zinc/63/95/63/572639563.db2.gz QIOXLMYRDFTLRD-UFFNRZRYSA-N 2 0 198.310 1.002 10 0 ADAERP C[N@H+](C/C=C/C[NH3+])CC1CCCC1 85055127 572639584 /nfs/dbraw/zinc/63/95/84/572639584.db2.gz BGZJFIIFAPMCHF-SNAWJCMRSA-N 2 0 182.311 1.623 10 0 ADAERP C[C@@H]1C[C@H]1C[N@H+](C)C/C=C/C[NH3+] 85055150 572639603 /nfs/dbraw/zinc/63/96/03/572639603.db2.gz FUFNQBOQLHWVEI-OKWQPMOJSA-N 2 0 168.284 1.089 10 0 ADAERP C[C@@H]1CC([NH2+]C2CC([NH3+])C2)C[C@H](C)C1 87652028 572639635 /nfs/dbraw/zinc/63/96/35/572639635.db2.gz ALDQSOMBSABBMZ-MXSCYXCISA-N 2 0 196.338 1.890 10 0 ADAERP 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1.208 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@@H]([NH3+])CC[C@@H]12 251781066 572642243 /nfs/dbraw/zinc/64/22/43/572642243.db2.gz WDJDLQPNHNGUCY-RHYQMDGZSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@H]([NH3+])CC[C@H]12 251781069 572642251 /nfs/dbraw/zinc/64/22/51/572642251.db2.gz WDJDLQPNHNGUCY-WRWGMCAJSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@@H+]1C(C)C 251784662 572642313 /nfs/dbraw/zinc/64/23/13/572642313.db2.gz XBDVVYVCZOTBSN-IJLUTSLNSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@H]([NH3+])CC[C@@H]12 251781057 572642370 /nfs/dbraw/zinc/64/23/70/572642370.db2.gz WDJDLQPNHNGUCY-KXNHARMFSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@@H+]1C(C)C 251784660 572642506 /nfs/dbraw/zinc/64/25/06/572642506.db2.gz XBDVVYVCZOTBSN-GRYCIOLGSA-N 2 0 196.338 1.715 10 0 ADAERP CC[C@@H]1C[C@]1([NH3+])C[C@H]1CCCC[N@@H+]1C 251778411 572642571 /nfs/dbraw/zinc/64/25/71/572642571.db2.gz WPJCUZFGRBWCMX-UTUOFQBUSA-N 2 0 196.338 1.988 10 0 ADAERP C=COCCC[NH2+]C[C@@H]1CCC[NH2+]C1 87646231 572642723 /nfs/dbraw/zinc/64/27/23/572642723.db2.gz BDHCPALPUYSOMC-LLVKDONJSA-N 2 0 198.310 1.126 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@@H]([NH3+])C[C@@H]2C[N@@H+]1C 251786412 572642862 /nfs/dbraw/zinc/64/28/62/572642862.db2.gz FSWNWOZJPUBCSQ-ZYUZMQFOSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)CC(N)=[NH2+])C1 48249842 572643125 /nfs/dbraw/zinc/64/31/25/572643125.db2.gz FUCGTNABPGOTJF-AEJSXWLSSA-N 2 0 197.326 1.679 10 0 ADAERP C[NH2+]CCCCC[NH+]1CCC1 307852916 572643147 /nfs/dbraw/zinc/64/31/47/572643147.db2.gz BNYNYYCWYBOQIH-UHFFFAOYSA-N 2 0 156.273 1.082 10 0 ADAERP C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 87647187 572643187 /nfs/dbraw/zinc/64/31/87/572643187.db2.gz SUERVAFEZGSQIK-QJPTWQEYSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2C[N@@H+]1C1CC1 251790892 572643277 /nfs/dbraw/zinc/64/32/77/572643277.db2.gz XLHSHVIBWKKRRQ-IEBDPFPHSA-N 2 0 180.295 1.221 10 0 ADAERP CC[C@H]1CC[N@H+](C)CC[C@H]1C[NH3+] 251795378 572643403 /nfs/dbraw/zinc/64/34/03/572643403.db2.gz NUCOTJPRQRNIHB-UWVGGRQHSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCC[N@@H+]1C 251778410 572643424 /nfs/dbraw/zinc/64/34/24/572643424.db2.gz WPJCUZFGRBWCMX-IJLUTSLNSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@@H]([NH3+])CC[C@H]12 251781061 572643674 /nfs/dbraw/zinc/64/36/74/572643674.db2.gz WDJDLQPNHNGUCY-NOOOWODRSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 87647183 572644057 /nfs/dbraw/zinc/64/40/57/572644057.db2.gz SUERVAFEZGSQIK-TUAOUCFPSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@H]([NH3+])C[C@H]2C[N@@H+]1C 251786410 572644215 /nfs/dbraw/zinc/64/42/15/572644215.db2.gz FSWNWOZJPUBCSQ-IMSYWVGJSA-N 2 0 168.284 1.064 10 0 ADAERP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@@H+]1C1CC1 251790889 572644257 /nfs/dbraw/zinc/64/42/57/572644257.db2.gz XLHSHVIBWKKRRQ-FBIMIBRVSA-N 2 0 180.295 1.221 10 0 ADAERP CC1CC[NH+]([C@@H](C)CC(N)=[NH2+])CC1 48249617 572644346 /nfs/dbraw/zinc/64/43/46/572644346.db2.gz LIUARZRARUPLCD-VIFPVBQESA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H]1CCCC[N@H+]1[C@@H](C)CC(N)=[NH2+] 48249654 572644492 /nfs/dbraw/zinc/64/44/92/572644492.db2.gz GOMUWDBJDQYNTC-IUCAKERBSA-N 2 0 183.299 1.575 10 0 ADAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCCC[C@H]1C 48249651 572644500 /nfs/dbraw/zinc/64/45/00/572644500.db2.gz GOMUWDBJDQYNTC-BDAKNGLRSA-N 2 0 183.299 1.575 10 0 ADAERP [NH3+]CCCCC[NH2+]CCCF 307854895 572644800 /nfs/dbraw/zinc/64/48/00/572644800.db2.gz CQXHBAYPQLOVLW-UHFFFAOYSA-N 2 0 162.252 1.065 10 0 ADAERP C1CCC(C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 87646346 572644935 /nfs/dbraw/zinc/64/49/35/572644935.db2.gz MCZZAYRHTKRQNK-GFCCVEGCSA-N 2 0 196.338 1.766 10 0 ADAERP C[C@H](CC(N)=[NH2+])[NH+]1CCCCCCC1 48249933 572645145 /nfs/dbraw/zinc/64/51/45/572645145.db2.gz GSDWWFMOJQZOKT-SNVBAGLBSA-N 2 0 197.326 1.967 10 0 ADAERP CC(C)[N@H+](C)[C@@H](C)CC(N)=[NH2+] 48249822 572645263 /nfs/dbraw/zinc/64/52/63/572645263.db2.gz YYVLZQOOCITSQX-ZETCQYMHSA-N 2 0 157.261 1.041 10 0 ADAERP C=COCCC[NH2+]C[C@H]1CCC[NH2+]C1 87646233 572645495 /nfs/dbraw/zinc/64/54/95/572645495.db2.gz BDHCPALPUYSOMC-NSHDSACASA-N 2 0 198.310 1.126 10 0 ADAERP C1CC(C[NH2+]C[C@H]2CCC[NH2+]C2)C1 87646328 572645501 /nfs/dbraw/zinc/64/55/01/572645501.db2.gz AILRPLREZRDLCR-NSHDSACASA-N 2 0 182.311 1.376 10 0 ADAERP C1CCC(C[NH2+]C[C@H]2CCC[NH2+]C2)C1 87646348 572645550 /nfs/dbraw/zinc/64/55/50/572645550.db2.gz MCZZAYRHTKRQNK-LBPRGKRZSA-N 2 0 196.338 1.766 10 0 ADAERP FCC[NH2+]CCC[C@@H]1CCC[NH2+]1 308085438 572645586 /nfs/dbraw/zinc/64/55/86/572645586.db2.gz NIVWWEQXLGJYNF-SECBINFHSA-N 2 0 174.263 1.078 10 0 ADAERP C[C@H]1CCC[N@@H+]([C@@H](C)CC(N)=[NH2+])C1 48249677 572645641 /nfs/dbraw/zinc/64/56/41/572645641.db2.gz CTUXJHLVWJKNOL-IUCAKERBSA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H](CC(N)=[NH2+])[NH+]1CCCCCC1 48249684 572645768 /nfs/dbraw/zinc/64/57/68/572645768.db2.gz OJWFVFNBZBWFHH-SECBINFHSA-N 2 0 183.299 1.577 10 0 ADAERP FCC[NH2+]CCC[C@H]1CCC[NH2+]1 308085439 572646073 /nfs/dbraw/zinc/64/60/73/572646073.db2.gz NIVWWEQXLGJYNF-VIFPVBQESA-N 2 0 174.263 1.078 10 0 ADAERP C[C@H](CC(N)=[NH2+])[NH+]1CCCCC1 48249860 572646165 /nfs/dbraw/zinc/64/61/65/572646165.db2.gz VOZTUYXDZHDDJA-MRVPVSSYSA-N 2 0 169.272 1.187 10 0 ADAERP CC[N@@H+]1CCC[C@H](C[C@H](C)C[NH3+])C1 250367618 572646925 /nfs/dbraw/zinc/64/69/25/572646925.db2.gz VCFLOJDTWBJRQM-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 251801679 572646984 /nfs/dbraw/zinc/64/69/84/572646984.db2.gz YBCUKNNKVVTZFK-WYUUTHIRSA-N 2 0 196.338 1.559 10 0 ADAERP CC[N@@H+]1CCC[C@@H](C[C@H](C)C[NH3+])C1 250367613 572647046 /nfs/dbraw/zinc/64/70/46/572647046.db2.gz VCFLOJDTWBJRQM-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CSC[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 307852213 572647368 /nfs/dbraw/zinc/64/73/68/572647368.db2.gz BTTOQDNQHNGWCP-RNJXMRFFSA-N 2 0 176.329 1.063 10 0 ADAERP C[NH2+]C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](C)C1 251816871 572647860 /nfs/dbraw/zinc/64/78/60/572647860.db2.gz ZIUFGXKTBXXOML-WOPDTQHZSA-N 2 0 196.338 1.716 10 0 ADAERP CCCCC[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 70144649 572648117 /nfs/dbraw/zinc/64/81/17/572648117.db2.gz JLMBROJIYMFSAY-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]CC(C)(C)C[NH+]1CC=CC1 308085018 572648378 /nfs/dbraw/zinc/64/83/78/572648378.db2.gz MVDJQLUJNARPQE-UHFFFAOYSA-N 2 0 168.284 1.104 10 0 ADAERP CN(C)CC[NH2+]C[C@@H]1CCCS1 87669301 572648594 /nfs/dbraw/zinc/64/85/94/572648594.db2.gz SYRLOYXVYFRRJW-VIFPVBQESA-N 2 0 188.340 1.033 10 0 ADAERP C[NH2+]C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](C)C1 251816869 572648712 /nfs/dbraw/zinc/64/87/12/572648712.db2.gz ZIUFGXKTBXXOML-SRVKXCTJSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+]C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C)C1 251816867 572648808 /nfs/dbraw/zinc/64/88/08/572648808.db2.gz ZIUFGXKTBXXOML-SDDRHHMPSA-N 2 0 196.338 1.716 10 0 ADAERP CSC[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 307852212 572648857 /nfs/dbraw/zinc/64/88/57/572648857.db2.gz BTTOQDNQHNGWCP-FXQIFTODSA-N 2 0 176.329 1.063 10 0 ADAERP CS[C@H](C)C[NH2+][C@@H](C)[C@H](C)[NH3+] 307852254 572649014 /nfs/dbraw/zinc/64/90/14/572649014.db2.gz BZJAPUVAFQECOB-CSMHCCOUSA-N 2 0 176.329 1.063 10 0 ADAERP CSC[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 307852214 572649065 /nfs/dbraw/zinc/64/90/65/572649065.db2.gz BTTOQDNQHNGWCP-XLPZGREQSA-N 2 0 176.329 1.063 10 0 ADAERP C/C=C\CC[NH2+]CC1CC[NH2+]CC1 308085105 572649082 /nfs/dbraw/zinc/64/90/82/572649082.db2.gz FPEIULOKQDMIGH-IHWYPQMZSA-N 2 0 182.311 1.542 10 0 ADAERP CS[C@H](C)C[NH2+][C@H](C)[C@@H](C)[NH3+] 307852253 572649303 /nfs/dbraw/zinc/64/93/03/572649303.db2.gz BZJAPUVAFQECOB-BWZBUEFSSA-N 2 0 176.329 1.063 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 251801673 572649326 /nfs/dbraw/zinc/64/93/26/572649326.db2.gz YBCUKNNKVVTZFK-WISYIIOYSA-N 2 0 196.338 1.559 10 0 ADAERP C[NH2+]C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C)C1 251816864 572649433 /nfs/dbraw/zinc/64/94/33/572649433.db2.gz ZIUFGXKTBXXOML-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP CS[C@H](C)C[NH2+][C@H](C)[C@H](C)[NH3+] 307852255 572649459 /nfs/dbraw/zinc/64/94/59/572649459.db2.gz BZJAPUVAFQECOB-GJMOJQLCSA-N 2 0 176.329 1.063 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@H](C[NH3+])C[C@H]12 251801666 572649582 /nfs/dbraw/zinc/64/95/82/572649582.db2.gz YBCUKNNKVVTZFK-NOOOWODRSA-N 2 0 196.338 1.559 10 0 ADAERP CN(C)CC[NH2+]C[C@H]1CCCS1 87669302 572649995 /nfs/dbraw/zinc/64/99/95/572649995.db2.gz SYRLOYXVYFRRJW-SECBINFHSA-N 2 0 188.340 1.033 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCS[C@@H](C[NH3+])C1 251847753 572650075 /nfs/dbraw/zinc/65/00/75/572650075.db2.gz MMRYADCFUFVMKW-BDAKNGLRSA-N 2 0 188.340 1.161 10 0 ADAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)[NH3+] 307857350 572650982 /nfs/dbraw/zinc/65/09/82/572650982.db2.gz FANKPDQZGXFOKC-IUCAKERBSA-N 2 0 158.289 1.358 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])[C@H]1CCC[N@H+](C)C1 252029220 572651221 /nfs/dbraw/zinc/65/12/21/572651221.db2.gz YXIPTCGAOHCLCF-GARJFASQSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCC[C@H]1CC[NH3+] 251849212 572651414 /nfs/dbraw/zinc/65/14/14/572651414.db2.gz MTPTUSWMWYXSFV-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 252029217 572651774 /nfs/dbraw/zinc/65/17/74/572651774.db2.gz YXIPTCGAOHCLCF-DCAQKATOSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)[NH3+] 307857347 572651501 /nfs/dbraw/zinc/65/15/01/572651501.db2.gz FANKPDQZGXFOKC-BDAKNGLRSA-N 2 0 158.289 1.358 10 0 ADAERP C[C@@H]1C[C@H](C[NH2+]C(C)(C)C)CC[NH2+]1 235282132 572651602 /nfs/dbraw/zinc/65/16/02/572651602.db2.gz OXFQLXOZDQZZSL-NXEZZACHSA-N 2 0 184.327 1.763 10 0 ADAERP CC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[NH3+])C2)C1 251838194 572651899 /nfs/dbraw/zinc/65/18/99/572651899.db2.gz QODMCAPBJNEOKN-UTUOFQBUSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[NH3+])C2)C1 251838196 572652086 /nfs/dbraw/zinc/65/20/86/572652086.db2.gz QODMCAPBJNEOKN-WOPDTQHZSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])[C@H]1CCC[N@@H+]1C 251844143 572652161 /nfs/dbraw/zinc/65/21/61/572652161.db2.gz LXWIXZWZARUXKB-IVZWLZJFSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)CC[NH2+][C@H](C)[C@H](C)[NH3+] 307857349 572652270 /nfs/dbraw/zinc/65/22/70/572652270.db2.gz FANKPDQZGXFOKC-DTWKUNHWSA-N 2 0 158.289 1.358 10 0 ADAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)[NH3+] 307857352 572652364 /nfs/dbraw/zinc/65/23/64/572652364.db2.gz FANKPDQZGXFOKC-RKDXNWHRSA-N 2 0 158.289 1.358 10 0 ADAERP C[C@@H]1CC[C@@]2(CC[NH2+]C2)[C@@H](C)[N@@H+]1C 251841906 572652321 /nfs/dbraw/zinc/65/23/21/572652321.db2.gz OGHSTUCISYSZFR-MXWKQRLJSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1C[NH2+][C@@H]2CCCC[C@H]2C[N@@H+]1C 251842970 572652339 /nfs/dbraw/zinc/65/23/39/572652339.db2.gz QQSCSSHAQUVKRH-OUAUKWLOSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1C[NH2+][C@H]2CCCC[C@H]2C[N@@H+]1C 251842971 572653771 /nfs/dbraw/zinc/65/37/71/572653771.db2.gz QQSCSSHAQUVKRH-VWYCJHECSA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+]CC[C@H](C1CC1)[NH+]1CCCC1 74332678 572654546 /nfs/dbraw/zinc/65/45/46/572654546.db2.gz FPLDCMQMCFXVSJ-SNVBAGLBSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@@H]1C[N@@H+](C)C[C@H](C)[C@H]1CC[NH3+] 251822588 572652734 /nfs/dbraw/zinc/65/27/34/572652734.db2.gz ZYEWPZSYZMTFKZ-MYJAWHEDSA-N 2 0 170.300 1.169 10 0 ADAERP CC[C@H](C)[C@H]1CCCN(C)C[C@H]1[NH3+] 252026620 572652857 /nfs/dbraw/zinc/65/28/57/572652857.db2.gz YKFWDGXZBJYAGT-HBNTYKKESA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@H](C)[C@@H]1CCCN(C)C[C@H]1[NH3+] 252026619 572653025 /nfs/dbraw/zinc/65/30/25/572653025.db2.gz YKFWDGXZBJYAGT-GARJFASQSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[NH3+])C2)C1 251838192 572653067 /nfs/dbraw/zinc/65/30/67/572653067.db2.gz QODMCAPBJNEOKN-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CC[C@]2(CC[NH2+]C2)[C@@H](C)[N@@H+]1C 251841905 572653092 /nfs/dbraw/zinc/65/30/92/572653092.db2.gz OGHSTUCISYSZFR-GMTAPVOTSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@H](C)[N@@H+]1CCC[C@H]1CC[NH3+] 251849211 572653554 /nfs/dbraw/zinc/65/35/54/572653554.db2.gz MTPTUSWMWYXSFV-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H](C)[N@@H+]1CCS[C@@H](C[NH3+])C1 251847755 572653837 /nfs/dbraw/zinc/65/38/37/572653837.db2.gz MMRYADCFUFVMKW-IUCAKERBSA-N 2 0 188.340 1.161 10 0 ADAERP CCCCC[NH2+][C@@H](C)[C@H](C)[NH3+] 307861067 572654467 /nfs/dbraw/zinc/65/44/67/572654467.db2.gz GWDWUZNTUIOROW-IUCAKERBSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]1C[NH2+]CC[N@@H+]2CCCC[C@@H]12 251881270 572654544 /nfs/dbraw/zinc/65/45/44/572654544.db2.gz UVBVEEGBVHZMHM-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP CCCCC[NH2+][C@H](C)[C@H](C)[NH3+] 307861066 572654639 /nfs/dbraw/zinc/65/46/39/572654639.db2.gz GWDWUZNTUIOROW-DTWKUNHWSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]1C[N@H+](C)C[C@H]2CCCC[C@H]2[NH2+]1 251898441 572654746 /nfs/dbraw/zinc/65/47/46/572654746.db2.gz WFDHDDXEXFYNDK-GMTAPVOTSA-N 2 0 182.311 1.469 10 0 ADAERP CCCCC[NH2+][C@H](C)[C@@H](C)[NH3+] 307861068 572655378 /nfs/dbraw/zinc/65/53/78/572655378.db2.gz GWDWUZNTUIOROW-RKDXNWHRSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]([NH3+])C1([NH+]2CCCCC2)CC1 74332650 572657695 /nfs/dbraw/zinc/65/76/95/572657695.db2.gz WNIIWIJTXNYLBN-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])[C@H]1CC[N@H+](C)C1 252029885 572655688 /nfs/dbraw/zinc/65/56/88/572655688.db2.gz ZBFVNCGYTHDZDY-LPEHRKFASA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H]1C[NH2+]CC[N@@H+]2CCCC[C@@H]12 251881268 572655859 /nfs/dbraw/zinc/65/58/59/572655859.db2.gz UVBVEEGBVHZMHM-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP CCCCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 307861065 572656219 /nfs/dbraw/zinc/65/62/19/572656219.db2.gz GWDWUZNTUIOROW-BDAKNGLRSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]1C[N@H+](C)C[C@@H]2CCCC[C@H]2[NH2+]1 251898445 572656629 /nfs/dbraw/zinc/65/66/29/572656629.db2.gz WFDHDDXEXFYNDK-OUAUKWLOSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]2CCCC[C@H]2[N@@H+]1C 251916727 572656821 /nfs/dbraw/zinc/65/68/21/572656821.db2.gz XPPDGLUUNYPOPI-GMTAPVOTSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1CC1CC1 74332694 572657615 /nfs/dbraw/zinc/65/76/15/572657615.db2.gz ZWINYVGYTGHNGD-UWVGGRQHSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]([NH3+])C1([NH+]2CCCCC2)CC1 74332647 572657066 /nfs/dbraw/zinc/65/70/66/572657066.db2.gz WNIIWIJTXNYLBN-VIFPVBQESA-N 2 0 168.284 1.352 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]2CCCC[C@H]2[N@@H+]1C 251916729 572657322 /nfs/dbraw/zinc/65/73/22/572657322.db2.gz XPPDGLUUNYPOPI-OUAUKWLOSA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+]CC[C@@H](C1CC1)[NH+]1CCCC1 74332673 572657879 /nfs/dbraw/zinc/65/78/79/572657879.db2.gz FPLDCMQMCFXVSJ-JTQLQIEISA-N 2 0 168.284 1.210 10 0 ADAERP C[C@@H]1C[N@H+](C)C[C@H]2CCCC[C@@H]2[NH2+]1 251898443 572658454 /nfs/dbraw/zinc/65/84/54/572658454.db2.gz WFDHDDXEXFYNDK-MXWKQRLJSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])[C@H]1CC[N@H+](C)C1 252029883 572658615 /nfs/dbraw/zinc/65/86/15/572658615.db2.gz ZBFVNCGYTHDZDY-GUBZILKMSA-N 2 0 170.300 1.312 10 0 ADAERP C[N@@H+]1CC[C@H](C[C@H]2CCC[NH2+]2)C1 250550251 572658724 /nfs/dbraw/zinc/65/87/24/572658724.db2.gz AAUACAQAEUZUNL-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CC1(C)CC1 235288100 572659155 /nfs/dbraw/zinc/65/91/55/572659155.db2.gz SYFWIIFVJPOLAV-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP CC[C@H](C)[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 251922500 572659173 /nfs/dbraw/zinc/65/91/73/572659173.db2.gz QGZHOGWFZWBITJ-GUBZILKMSA-N 2 0 170.300 1.454 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@H]2CCC[NH2+]2)C1 250550254 572659605 /nfs/dbraw/zinc/65/96/05/572659605.db2.gz AAUACAQAEUZUNL-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1CC[C@@H]2[C@H](C1)[C@H](C[NH3+])CC[N@@H+]2C 251930245 572659606 /nfs/dbraw/zinc/65/96/06/572659606.db2.gz VGEVWXBDRNHIHI-WRWGMCAJSA-N 2 0 196.338 1.702 10 0 ADAERP C[NH2+]CCCCCCCC[NH3+] 116098154 572660053 /nfs/dbraw/zinc/66/00/53/572660053.db2.gz HYZLXDXICHITBR-UHFFFAOYSA-N 2 0 158.289 1.505 10 0 ADAERP C/C=C/CCNCC[NH2+]C(C)(C)C 230976199 572660332 /nfs/dbraw/zinc/66/03/32/572660332.db2.gz HJBIXPQYZCIOKB-AATRIKPKSA-N 2 0 184.327 1.930 10 0 ADAERP CC[C@@H](C)[N@@H+]1C[C@@H](C)[NH2+]CC2(CC2)C1 251922561 572660953 /nfs/dbraw/zinc/66/09/53/572660953.db2.gz QHOLCTVCUYVXCN-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP CCC(CC)[NH2+][C@@H](C)[C@@H](C)[NH3+] 307863579 572661092 /nfs/dbraw/zinc/66/10/92/572661092.db2.gz IJBHGTDTFCACRM-SFYZADRCSA-N 2 0 158.289 1.500 10 0 ADAERP CCC(CC)[NH2+][C@H](C)[C@@H](C)[NH3+] 307863576 572661295 /nfs/dbraw/zinc/66/12/95/572661295.db2.gz IJBHGTDTFCACRM-HTQZYQBOSA-N 2 0 158.289 1.500 10 0 ADAERP C[N@@H+]1CCC[C@@H]1[C@H](CC[NH3+])C1CC1 250550474 572661331 /nfs/dbraw/zinc/66/13/31/572661331.db2.gz ADISOWAJQKWNPT-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CC[C@@H]2[C@H](C1)C[C@H](C[NH3+])C[N@@H+]2C 251942440 572661904 /nfs/dbraw/zinc/66/19/04/572661904.db2.gz WCMYOLPOKDLTNZ-DDHJBXDOSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CC1(C)CCC1 235288131 572662019 /nfs/dbraw/zinc/66/20/19/572662019.db2.gz WEWQXHKUFTTXKZ-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP CCC[C@H](C[NH3+])C[NH+]1CCC1 307864126 572662615 /nfs/dbraw/zinc/66/26/15/572662615.db2.gz DSQJWORAZNONPN-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP C[C@@H]1CC[C@@H]2[C@H](C1)[C@@H](C[NH3+])CC[N@@H+]2C 251930242 572662695 /nfs/dbraw/zinc/66/26/95/572662695.db2.gz VGEVWXBDRNHIHI-DDHJBXDOSA-N 2 0 196.338 1.702 10 0 ADAERP CCC[C@@H](C[NH3+])C[NH+]1CCC1 307864127 572662708 /nfs/dbraw/zinc/66/27/08/572662708.db2.gz DSQJWORAZNONPN-VIFPVBQESA-N 2 0 156.273 1.067 10 0 ADAERP CC[C@H](C)[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 251922502 572662743 /nfs/dbraw/zinc/66/27/43/572662743.db2.gz QGZHOGWFZWBITJ-LPEHRKFASA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C 251952535 572662999 /nfs/dbraw/zinc/66/29/99/572662999.db2.gz URBMWTRHWRHSJC-HBNTYKKESA-N 2 0 184.327 1.844 10 0 ADAERP C1CC(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 299892752 572663095 /nfs/dbraw/zinc/66/30/95/572663095.db2.gz CUWQUMIOVIRUEK-NEPJUHHUSA-N 2 0 194.322 1.470 10 0 ADAERP C[NH2+]C1CCC([C@H](C)[NH3+])CC1 116132296 572663120 /nfs/dbraw/zinc/66/31/20/572663120.db2.gz LWJASEFJRQZKPJ-UEJVZZJDSA-N 2 0 156.273 1.112 10 0 ADAERP C[N@@H+]1CCC[C@H]1[C@H](CC[NH3+])C1CC1 250550476 572663129 /nfs/dbraw/zinc/66/31/29/572663129.db2.gz ADISOWAJQKWNPT-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[C@@H]2CCC[NH2+][C@H]2CN1C 252104748 572664034 /nfs/dbraw/zinc/66/40/34/572664034.db2.gz IUHSQUJHCKQOTC-UTLUCORTSA-N 2 0 168.284 1.079 10 0 ADAERP CC[NH2+]CCCC[NH+]1CC=CC1 308088490 572664099 /nfs/dbraw/zinc/66/40/99/572664099.db2.gz QYJOQJPISWFGFB-UHFFFAOYSA-N 2 0 168.284 1.248 10 0 ADAERP C[NH2+]C1CCC([C@@H](C)[NH3+])CC1 116132294 572664171 /nfs/dbraw/zinc/66/41/71/572664171.db2.gz LWJASEFJRQZKPJ-AFPNSQJFSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@@H]1C[C@]1([NH3+])CC[C@H]1CCC[N@H+](C)C1 252088992 572664235 /nfs/dbraw/zinc/66/42/35/572664235.db2.gz GWKIAXZJRMOWSM-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](CC[NH3+])C1 252096850 572664512 /nfs/dbraw/zinc/66/45/12/572664512.db2.gz FPGSDPGDDZZPOD-GRYCIOLGSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@H]2CCC[NH2+][C@H]2CN1C 252104746 572665060 /nfs/dbraw/zinc/66/50/60/572665060.db2.gz IUHSQUJHCKQOTC-BBBLOLIVSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CC[N@H+](C)[C@H](C)C1 252167946 572669677 /nfs/dbraw/zinc/66/96/77/572669677.db2.gz QSVSAOBUDCRTOK-AEJSXWLSSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[C@H](C)[N@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299892685 572670453 /nfs/dbraw/zinc/67/04/53/572670453.db2.gz CHRGATNBLZDKGF-QJPTWQEYSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](CC[NH3+])C1 252096852 572665292 /nfs/dbraw/zinc/66/52/92/572665292.db2.gz FPGSDPGDDZZPOD-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@H]([NH3+])[C@@H](C)[C@H](C)[NH+](C)C 74342076 572670948 /nfs/dbraw/zinc/67/09/48/572670948.db2.gz WFQUPJQAJJJYSV-CIUDSAMLSA-N 2 0 158.289 1.310 10 0 ADAERP CSCCC[NH2+]CC(C)(C)[NH3+] 307862693 572665592 /nfs/dbraw/zinc/66/55/92/572665592.db2.gz HXZZYEZNTIGDPN-UHFFFAOYSA-N 2 0 176.329 1.066 10 0 ADAERP CCN1C[C@H](CC2CC2)C[C@@H]([NH2+]C)C1 250251956 572665642 /nfs/dbraw/zinc/66/56/42/572665642.db2.gz IQFZVUPGKYTKRV-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@H]2[NH2+]C(C)(C)C[C@@H]2C[N@@H+]1C 252183532 572669586 /nfs/dbraw/zinc/66/95/86/572669586.db2.gz TZAYKWYFIQRSTM-OPRDCNLKSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1C[C@@H]2C[N@H+](C)CCC[C@H]2[NH2+]1 252146084 572666596 /nfs/dbraw/zinc/66/65/96/572666596.db2.gz NXTRMSYIDDXMES-OPRDCNLKSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@@H]1C[C@@H]2[C@@H](CC(C)(C)CCN2C)[NH2+]1 252128114 572666624 /nfs/dbraw/zinc/66/66/24/572666624.db2.gz LRLKWKZGMIAKHH-GMTAPVOTSA-N 2 0 196.338 1.857 10 0 ADAERP C[C@H]([NH3+])CC1C[C@@H](C)[NH+](C)[C@H](C)C1 252175974 572666655 /nfs/dbraw/zinc/66/66/55/572666655.db2.gz SAFWKLVYBWECOM-IVZWLZJFSA-N 2 0 184.327 1.843 10 0 ADAERP C[C@@H]1C[C@H](C[C@H]2CC[NH2+]C2)CC[N@@H+]1C 252153061 572666738 /nfs/dbraw/zinc/66/67/38/572666738.db2.gz OUZWBBBQXOHEAM-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@H](C[C@H]2CCC[NH2+]2)CC[N@@H+]1C 252131517 572666806 /nfs/dbraw/zinc/66/68/06/572666806.db2.gz MBEUKVGWVISKDR-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@@H]2CC[N@H+](C)CC[C@H]2[NH2+]1 252175731 572667140 /nfs/dbraw/zinc/66/71/40/572667140.db2.gz RZACDENGNOSREP-KXUCPTDWSA-N 2 0 168.284 1.079 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CCC(F)(F)C1 308088926 572667194 /nfs/dbraw/zinc/66/71/94/572667194.db2.gz ROPBWZZRMQNMGY-ZETCQYMHSA-N 2 0 178.226 1.113 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H]1CC[NH3+] 252220638 572667289 /nfs/dbraw/zinc/66/72/89/572667289.db2.gz YYDYIUNRQRPAPX-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[C@@H]1CC[N@H+](C/C=C\C[NH3+])C1 308088679 572667297 /nfs/dbraw/zinc/66/72/97/572667297.db2.gz HGDACUKCKAFRQF-DLRQAJBASA-N 2 0 182.311 1.623 10 0 ADAERP C[C@@H]1C[C@@]1([NH3+])CC[C@H]1CCCC[N@@H+]1C 252212578 572667301 /nfs/dbraw/zinc/66/73/01/572667301.db2.gz YMADTPILCIFEAA-UTUOFQBUSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[NH3+])C1 252124101 572667310 /nfs/dbraw/zinc/66/73/10/572667310.db2.gz JVAMVWSUEOMEAP-UTUOFQBUSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@H]([NH3+])CC[C@H]2C[N@@H+]1C 252187591 572667325 /nfs/dbraw/zinc/66/73/25/572667325.db2.gz UNKOYHZOWZBTJO-LMLFDSFASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1C[C@]1([NH3+])C[C@H]1CCC[N@H+](C)C1 252213726 572667355 /nfs/dbraw/zinc/66/73/55/572667355.db2.gz YSYRGNDXSKHBFP-MXWKQRLJSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 252124100 572667388 /nfs/dbraw/zinc/66/73/88/572667388.db2.gz JVAMVWSUEOMEAP-IJLUTSLNSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]([NH3+])[C@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 252210588 572667413 /nfs/dbraw/zinc/66/74/13/572667413.db2.gz YANIBCBKZXFENC-JXUBOQSCSA-N 2 0 170.300 1.452 10 0 ADAERP C[C@@H]1C[C@@H]2C[NH+]3CCC(CC3)[C@H]2[NH2+]1 252182777 572667423 /nfs/dbraw/zinc/66/74/23/572667423.db2.gz TWCQNNHIELYQBH-FBIMIBRVSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@@H]([NH3+])CC[C@H]2C[N@@H+]1C 252187592 572667434 /nfs/dbraw/zinc/66/74/34/572667434.db2.gz UNKOYHZOWZBTJO-YTWAJWBKSA-N 2 0 182.311 1.454 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 252187497 572667472 /nfs/dbraw/zinc/66/74/72/572667472.db2.gz RBMUJIRSLRPVML-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]2C[N@@H+]1C 252174208 572667489 /nfs/dbraw/zinc/66/74/89/572667489.db2.gz RRWGTBUMVAZLRV-DBIOUOCHSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CC[N@H+](C)[C@H](C)C1 252167951 572667502 /nfs/dbraw/zinc/66/75/02/572667502.db2.gz QSVSAOBUDCRTOK-IVZWLZJFSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@@H]1C[C@@H](C[C@H]2CC[NH2+]C2)CC[N@@H+]1C 252153060 572667533 /nfs/dbraw/zinc/66/75/33/572667533.db2.gz OUZWBBBQXOHEAM-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1CC[NH3+] 252220636 572667555 /nfs/dbraw/zinc/66/75/55/572667555.db2.gz YYDYIUNRQRPAPX-GRYCIOLGSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C[N@@H+]1C 252174209 572667626 /nfs/dbraw/zinc/66/76/26/572667626.db2.gz RRWGTBUMVAZLRV-GWOFURMSSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[C@@H]2[NH2+]CCC(C)(C)[C@H]2C[N@@H+]1C 252206491 572667837 /nfs/dbraw/zinc/66/78/37/572667837.db2.gz XFSDOTXKOSJGQT-VWYCJHECSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]1 252139393 572667946 /nfs/dbraw/zinc/66/79/46/572667946.db2.gz LYZOLNKUOGREPO-GHMZBOCLSA-N 2 0 182.311 1.613 10 0 ADAERP CCN1C[C@@H](CC2CC2)C[C@@H]([NH2+]C)C1 250251953 572667967 /nfs/dbraw/zinc/66/79/67/572667967.db2.gz IQFZVUPGKYTKRV-NWDGAFQWSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@@]1([NH3+])C[C@H]1CCC[N@H+](C)C1 252213725 572668008 /nfs/dbraw/zinc/66/80/08/572668008.db2.gz YSYRGNDXSKHBFP-GMTAPVOTSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[C@H]2CC[N@H+](C)CC[C@H]2[NH2+]1 252175732 572668027 /nfs/dbraw/zinc/66/80/27/572668027.db2.gz RZACDENGNOSREP-OPRDCNLKSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@H]([NH3+])C1C[C@@H](C)[NH+](C)[C@H](C)C1 252210587 572668064 /nfs/dbraw/zinc/66/80/64/572668064.db2.gz YANIBCBKZXFENC-HLTSFMKQSA-N 2 0 170.300 1.452 10 0 ADAERP C[NH+](C)CCC[C@@H]([NH3+])C1CC1 74342460 572673096 /nfs/dbraw/zinc/67/30/96/572673096.db2.gz YKMOTJNXAKWCLU-SECBINFHSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 252187499 572668164 /nfs/dbraw/zinc/66/81/64/572668164.db2.gz RBMUJIRSLRPVML-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CC[N@H+](C)[C@@H](C)C1 252167953 572668273 /nfs/dbraw/zinc/66/82/73/572668273.db2.gz QSVSAOBUDCRTOK-LPEHRKFASA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]1[C@@H]2C[C@@H](C)[NH2+][C@@H]2CC[N@@H+]1C 252214783 572668304 /nfs/dbraw/zinc/66/83/04/572668304.db2.gz YYKWERJSLBCOJK-XFWSIPNHSA-N 2 0 168.284 1.077 10 0 ADAERP CC[C@H]1C[C@@H]([NH3+])C[C@@H](CC)[N@@H+]1C 250252437 572668336 /nfs/dbraw/zinc/66/83/36/572668336.db2.gz TWBGTBQBZBBZOF-ILWJIGKKSA-N 2 0 170.300 1.597 10 0 ADAERP C[C@@H]1C[C@@H]2[C@H](CC[N@H+](C)[C@@H]2C)[NH2+]1 252214782 572668366 /nfs/dbraw/zinc/66/83/66/572668366.db2.gz YYKWERJSLBCOJK-IMSYWVGJSA-N 2 0 168.284 1.077 10 0 ADAERP CC[C@H]1C[C@H]([NH3+])C[C@@H](CC)[N@@H+]1C 250252441 572668386 /nfs/dbraw/zinc/66/83/86/572668386.db2.gz TWBGTBQBZBBZOF-OWUUHHOZSA-N 2 0 170.300 1.597 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C[N@@H+]1C 252187590 572668517 /nfs/dbraw/zinc/66/85/17/572668517.db2.gz UNKOYHZOWZBTJO-DBIOUOCHSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]([NH3+])CC1C[C@H](C)[NH+](C)[C@@H](C)C1 252175973 572668897 /nfs/dbraw/zinc/66/88/97/572668897.db2.gz SAFWKLVYBWECOM-GUBZILKMSA-N 2 0 184.327 1.843 10 0 ADAERP C[C@H]1C[C@H]([C@@H](C)[NH3+])C[C@@H](C)[N@H+]1C 252210589 572668675 /nfs/dbraw/zinc/66/86/75/572668675.db2.gz YANIBCBKZXFENC-UTINFBMNSA-N 2 0 170.300 1.452 10 0 ADAERP C[C@@H]1C[C@H]2C[N@H+](C)CCC[C@H]2[NH2+]1 252146083 572668696 /nfs/dbraw/zinc/66/86/96/572668696.db2.gz NXTRMSYIDDXMES-KXUCPTDWSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[NH3+])C1 252124102 572668718 /nfs/dbraw/zinc/66/87/18/572668718.db2.gz JVAMVWSUEOMEAP-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]2C[N@@H+]1C 252174210 572668903 /nfs/dbraw/zinc/66/89/03/572668903.db2.gz RRWGTBUMVAZLRV-YTWAJWBKSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@H]([NH3+])C[C@H]1C[C@H](C)[N@H+](C)[C@H](C)C1 252175975 572668858 /nfs/dbraw/zinc/66/88/58/572668858.db2.gz SAFWKLVYBWECOM-MMWGEVLESA-N 2 0 184.327 1.843 10 0 ADAERP CC(C)[C@H]([NH3+])CCC[NH+](C)C 74342067 572668865 /nfs/dbraw/zinc/66/88/65/572668865.db2.gz GDWSRTQNHKCLGQ-SECBINFHSA-N 2 0 158.289 1.312 10 0 ADAERP C[C@@H]1C[C@@H](C[C@H]2CCC[NH2+]2)CC[N@@H+]1C 252131515 572668873 /nfs/dbraw/zinc/66/88/73/572668873.db2.gz MBEUKVGWVISKDR-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@H]2[C@@H](CC(C)(C)CCN2C)[NH2+]1 252128115 572668879 /nfs/dbraw/zinc/66/88/79/572668879.db2.gz LRLKWKZGMIAKHH-MXWKQRLJSA-N 2 0 196.338 1.857 10 0 ADAERP C[C@@H]1C[C@]1([NH3+])CC[C@H]1CCCC[N@@H+]1C 252212577 572669009 /nfs/dbraw/zinc/66/90/09/572669009.db2.gz YMADTPILCIFEAA-IJLUTSLNSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H]1CC[NH3+] 252220637 572669018 /nfs/dbraw/zinc/66/90/18/572669018.db2.gz YYDYIUNRQRPAPX-UTUOFQBUSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@@H]2[NH2+]CCC[C@@H]2[C@@H](C)[N@@H+]1C 252192476 572669165 /nfs/dbraw/zinc/66/91/65/572669165.db2.gz VCOJJTQIPMYNIG-DBIOUOCHSA-N 2 0 182.311 1.467 10 0 ADAERP CC(C)[C@@H]([NH3+])CCC[NH+](C)C 74342069 572669320 /nfs/dbraw/zinc/66/93/20/572669320.db2.gz GDWSRTQNHKCLGQ-VIFPVBQESA-N 2 0 158.289 1.312 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CC[N@H+](C)[C@@H](C)C1 252167949 572669435 /nfs/dbraw/zinc/66/94/35/572669435.db2.gz QSVSAOBUDCRTOK-GUBZILKMSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@@H]1C[C@@H]2[C@@H](CC[N@H+](C)[C@@H]2C)[NH2+]1 252214781 572669507 /nfs/dbraw/zinc/66/95/07/572669507.db2.gz YYKWERJSLBCOJK-DOLQZWNJSA-N 2 0 168.284 1.077 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C)C1 252187495 572669551 /nfs/dbraw/zinc/66/95/51/572669551.db2.gz RBMUJIRSLRPVML-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1C 74342421 572673177 /nfs/dbraw/zinc/67/31/77/572673177.db2.gz VHHJQPNAPXRLKF-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP CCCCN1C[C@@H]2CCC[NH2+][C@H]2C1 299892640 572669674 /nfs/dbraw/zinc/66/96/74/572669674.db2.gz BSYFIYAECHOEIP-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C)C1 252187500 572669736 /nfs/dbraw/zinc/66/97/36/572669736.db2.gz RBMUJIRSLRPVML-UTUOFQBUSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@@H]2[NH2+]C(C)(C)C[C@@H]2C[N@@H+]1C 252183530 572669783 /nfs/dbraw/zinc/66/97/83/572669783.db2.gz TZAYKWYFIQRSTM-BBBLOLIVSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1C[C@@H]2[NH2+]CCC[C@H]2[C@@H](C)[N@@H+]1C 252192477 572669795 /nfs/dbraw/zinc/66/97/95/572669795.db2.gz VCOJJTQIPMYNIG-ZNSHCXBVSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1C[C@H]2C[NH+]3CCC(CC3)[C@H]2[NH2+]1 252182776 572669808 /nfs/dbraw/zinc/66/98/08/572669808.db2.gz TWCQNNHIELYQBH-DVVUODLYSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]1 252139394 572669923 /nfs/dbraw/zinc/66/99/23/572669923.db2.gz LYZOLNKUOGREPO-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP CCC[C@H]1CC[N@H+](C/C=C\C[NH3+])C1 308088677 572669933 /nfs/dbraw/zinc/66/99/33/572669933.db2.gz HGDACUKCKAFRQF-BYCRGOAPSA-N 2 0 182.311 1.623 10 0 ADAERP C[C@@H]1C[C@H]2[NH2+]CCC(C)(C)[C@H]2C[N@@H+]1C 252206365 572670008 /nfs/dbraw/zinc/67/00/08/572670008.db2.gz XFSDOTXKOSJGQT-OUAUKWLOSA-N 2 0 196.338 1.715 10 0 ADAERP CC[C@@H]1[C@@H]([NH3+])CC[N@@H+](C)[C@H]1C 74342443 572673220 /nfs/dbraw/zinc/67/32/20/572673220.db2.gz VFUHKAZDHFTRFE-CIUDSAMLSA-N 2 0 156.273 1.064 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCC(F)(F)C1 308088925 572670194 /nfs/dbraw/zinc/67/01/94/572670194.db2.gz ROPBWZZRMQNMGY-SSDOTTSWSA-N 2 0 178.226 1.113 10 0 ADAERP CC[C@@H]([NH3+])[C@@H](C)[C@H](C)[NH+](C)C 74342078 572670370 /nfs/dbraw/zinc/67/03/70/572670370.db2.gz WFQUPJQAJJJYSV-XHNCKOQMSA-N 2 0 158.289 1.310 10 0 ADAERP CCC(CC)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892591 572670426 /nfs/dbraw/zinc/67/04/26/572670426.db2.gz BBUNSEJYSDPXPP-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CCC(CC)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892592 572670520 /nfs/dbraw/zinc/67/05/20/572670520.db2.gz BBUNSEJYSDPXPP-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CCSC(N)=[NH2+] 238400681 572670769 /nfs/dbraw/zinc/67/07/69/572670769.db2.gz UIGICGWGKRPSTD-SSDOTTSWSA-N 2 0 187.312 1.097 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C)C[C@H]1C 252709572 572673259 /nfs/dbraw/zinc/67/32/59/572673259.db2.gz DFUPLCBSYRUJHQ-WHOHXGKFSA-N 2 0 196.338 1.857 10 0 ADAERP C1CCC([N@@H+]2C[C@@H]3CCC[NH2+][C@H]3C2)C1 299893124 572670898 /nfs/dbraw/zinc/67/08/98/572670898.db2.gz IJHLDCFJHKMUJM-JQWIXIFHSA-N 2 0 194.322 1.613 10 0 ADAERP Cc1cccc(NC[C@H]2C[C@@H]([NH3+])C2)[nH+]1 116186607 572671359 /nfs/dbraw/zinc/67/13/59/572671359.db2.gz NOOVPPRHHQRCFA-MGCOHNPYSA-N 2 0 191.278 1.539 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892687 572671420 /nfs/dbraw/zinc/67/14/20/572671420.db2.gz CHRGATNBLZDKGF-TUAOUCFPSA-N 2 0 196.338 1.715 10 0 ADAERP CCC[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74342429 572671487 /nfs/dbraw/zinc/67/14/87/572671487.db2.gz PNNHAVLTQLXHOF-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP CCC[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C 74342419 572671508 /nfs/dbraw/zinc/67/15/08/572671508.db2.gz VHHJQPNAPXRLKF-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP CCCCN1C[C@H]2CCC[NH2+][C@H]2C1 299892639 572671553 /nfs/dbraw/zinc/67/15/53/572671553.db2.gz BSYFIYAECHOEIP-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP C[N@@H+]1CCCC[NH2+]CC1(C)C 74342431 572671849 /nfs/dbraw/zinc/67/18/49/572671849.db2.gz NOGMRSCHSAPKMR-UHFFFAOYSA-N 2 0 156.273 1.080 10 0 ADAERP CCC[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C 74342427 572672033 /nfs/dbraw/zinc/67/20/33/572672033.db2.gz PNNHAVLTQLXHOF-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP CCC[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74342430 572672249 /nfs/dbraw/zinc/67/22/49/572672249.db2.gz PNNHAVLTQLXHOF-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@@H]1[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1C 74342445 572672377 /nfs/dbraw/zinc/67/23/77/572672377.db2.gz VFUHKAZDHFTRFE-VGMNWLOBSA-N 2 0 156.273 1.064 10 0 ADAERP C1CCC([N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 299893125 572672506 /nfs/dbraw/zinc/67/25/06/572672506.db2.gz IJHLDCFJHKMUJM-PWSUYJOCSA-N 2 0 194.322 1.613 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH+]1CC=CC1 308091068 572672682 /nfs/dbraw/zinc/67/26/82/572672682.db2.gz SWALQPDNNIVWQB-JTQLQIEISA-N 2 0 168.284 1.089 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892686 572672903 /nfs/dbraw/zinc/67/29/03/572672903.db2.gz CHRGATNBLZDKGF-SRVKXCTJSA-N 2 0 196.338 1.715 10 0 ADAERP C[N@@H+]1CC[C@@](C[NH3+])(CC(C)(C)C)C1 107130663 572672942 /nfs/dbraw/zinc/67/29/42/572672942.db2.gz LOCHCJCTZPDCHX-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@@H](C)C1(C[NH3+])CC[NH+](C)CC1 107130672 572673312 /nfs/dbraw/zinc/67/33/12/572673312.db2.gz PUVCHPGXMJSAQH-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 107130640 572673420 /nfs/dbraw/zinc/67/34/20/572673420.db2.gz BPYZBXCVRGGLIP-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C)CC1 74342435 572673506 /nfs/dbraw/zinc/67/35/06/572673506.db2.gz QIMQIQRNCBEHCE-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@@]1(CC[NH3+])CCC[N@H+](C)CC1 107130679 572673514 /nfs/dbraw/zinc/67/35/14/572673514.db2.gz DYCYFUAANYZUQM-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP Cc1c[nH+]ccc1NC[C@@H](C)CC[NH3+] 85130720 572673661 /nfs/dbraw/zinc/67/36/61/572673661.db2.gz GCDHXEYBGFOOPT-VIFPVBQESA-N 2 0 193.294 1.787 10 0 ADAERP C[NH2+]CCCCC1CC[NH+](C)CC1 107130634 572673714 /nfs/dbraw/zinc/67/37/14/572673714.db2.gz OFCIGEWHXBCUNA-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP CC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894289 572673778 /nfs/dbraw/zinc/67/37/78/572673778.db2.gz VIXVXXWBGFKQJL-TUAOUCFPSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C)CC1 74342432 572673779 /nfs/dbraw/zinc/67/37/79/572673779.db2.gz QIMQIQRNCBEHCE-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CCC[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C 74342422 572673994 /nfs/dbraw/zinc/67/39/94/572673994.db2.gz VHHJQPNAPXRLKF-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP Cc1c[nH+]ccc1NC[C@H](C)CC[NH3+] 85130721 572674113 /nfs/dbraw/zinc/67/41/13/572674113.db2.gz GCDHXEYBGFOOPT-SECBINFHSA-N 2 0 193.294 1.787 10 0 ADAERP CCC[C@H]1C[C@H]([NH3+])CC[N@@H+]1C 74342428 572674120 /nfs/dbraw/zinc/67/41/20/572674120.db2.gz PNNHAVLTQLXHOF-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP CC(C)[C@]1(C[NH3+])CCC[N@H+](C)CC1 107130637 572674276 /nfs/dbraw/zinc/67/42/76/572674276.db2.gz BPYZBXCVRGGLIP-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH+]1CC=CC1 308091069 572674335 /nfs/dbraw/zinc/67/43/35/572674335.db2.gz SWALQPDNNIVWQB-SNVBAGLBSA-N 2 0 168.284 1.089 10 0 ADAERP C[N@@H+]1CC[C@](C[NH3+])(CC(C)(C)C)C1 107130665 572674463 /nfs/dbraw/zinc/67/44/63/572674463.db2.gz LOCHCJCTZPDCHX-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C)CC1 74342433 572674546 /nfs/dbraw/zinc/67/45/46/572674546.db2.gz QIMQIQRNCBEHCE-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP Cc1cccc(NC[C@@H](C)CC[NH3+])[nH+]1 85131061 572674690 /nfs/dbraw/zinc/67/46/90/572674690.db2.gz WKIWNDJYIVIDJZ-VIFPVBQESA-N 2 0 193.294 1.787 10 0 ADAERP C[NH+](C)CCC[C@H]([NH3+])C1CC1 74342459 572674907 /nfs/dbraw/zinc/67/49/07/572674907.db2.gz YKMOTJNXAKWCLU-VIFPVBQESA-N 2 0 156.273 1.066 10 0 ADAERP CCn1cc[nH+]c1NC[C@@H](C)CC[NH3+] 85130838 572675133 /nfs/dbraw/zinc/67/51/33/572675133.db2.gz ASIHOLNYXGPMHX-VIFPVBQESA-N 2 0 196.298 1.300 10 0 ADAERP C[C@@H]1CC(C)([NH3+])C[C@@H](C)[NH+]1C 74342448 572675298 /nfs/dbraw/zinc/67/52/98/572675298.db2.gz YHWJCXWQRKRARM-HTQZYQBOSA-N 2 0 156.273 1.206 10 0 ADAERP Cc1cc[nH+]c(NC[C@@H](C)CC[NH3+])c1 85130850 572675381 /nfs/dbraw/zinc/67/53/81/572675381.db2.gz UTCPRRWXGLMJHN-JTQLQIEISA-N 2 0 193.294 1.787 10 0 ADAERP C[C@@H](CC[NH3+])CNc1cc[nH+]cc1 85130809 572675650 /nfs/dbraw/zinc/67/56/50/572675650.db2.gz MZVOWJIXNNXRPO-VIFPVBQESA-N 2 0 179.267 1.478 10 0 ADAERP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894288 572675681 /nfs/dbraw/zinc/67/56/81/572675681.db2.gz VIXVXXWBGFKQJL-SRVKXCTJSA-N 2 0 196.338 1.716 10 0 ADAERP Cc1cccc(NC[C@H](C)CC[NH3+])[nH+]1 85131063 572675964 /nfs/dbraw/zinc/67/59/64/572675964.db2.gz WKIWNDJYIVIDJZ-SECBINFHSA-N 2 0 193.294 1.787 10 0 ADAERP Cc1cc[nH+]c(NC[C@H](C)CC[NH3+])c1 85130852 572676081 /nfs/dbraw/zinc/67/60/81/572676081.db2.gz UTCPRRWXGLMJHN-SNVBAGLBSA-N 2 0 193.294 1.787 10 0 ADAERP C[C@H](CC[NH3+])CNc1cc[nH+]cc1 85130812 572676365 /nfs/dbraw/zinc/67/63/65/572676365.db2.gz MZVOWJIXNNXRPO-SECBINFHSA-N 2 0 179.267 1.478 10 0 ADAERP CCn1cc[nH+]c1NC[C@H](C)CC[NH3+] 85130839 572676813 /nfs/dbraw/zinc/67/68/13/572676813.db2.gz ASIHOLNYXGPMHX-SECBINFHSA-N 2 0 196.298 1.300 10 0 ADAERP C[NH2+]CC(C)(C)[NH2+]CCCCOC 313077296 572676933 /nfs/dbraw/zinc/67/69/33/572676933.db2.gz RHHSLRJEFVLQBQ-UHFFFAOYSA-N 2 0 188.315 1.001 10 0 ADAERP CC[C@H](C)C[N@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299894287 572677222 /nfs/dbraw/zinc/67/72/22/572677222.db2.gz VIXVXXWBGFKQJL-QJPTWQEYSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]([NH3+])CCCC[NH+]1CCC1 307866566 572677458 /nfs/dbraw/zinc/67/74/58/572677458.db2.gz GJHWCUYCNCGDHL-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP C[C@@H]([NH3+])CCCC[NH+]1CCC1 307866555 572677954 /nfs/dbraw/zinc/67/79/54/572677954.db2.gz GJHWCUYCNCGDHL-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP C[C@H](C[NH2+]C[C@@H]1[NH2+]CC[C@H]1C)C1CC1 299895639 572681529 /nfs/dbraw/zinc/68/15/29/572681529.db2.gz ADOPNXRPNCGWOL-FOGDFJRCSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894458 572681536 /nfs/dbraw/zinc/68/15/36/572681536.db2.gz WTNIEXMWMYFVPA-USWWRNFRSA-N 2 0 194.322 1.469 10 0 ADAERP C[C@@H]1C[C@@H](C2CCCC2)[C@@H](C[NH3+])C[NH2+]1 253484665 572683912 /nfs/dbraw/zinc/68/39/12/572683912.db2.gz IVAUREDLPOQIEG-USWWRNFRSA-N 2 0 196.338 1.750 10 0 ADAERP CCC[NH2+]CCC[C@@H]1CCC[NH2+]1 308092103 572681800 /nfs/dbraw/zinc/68/18/00/572681800.db2.gz UQTICARTNYRLOR-SNVBAGLBSA-N 2 0 170.300 1.518 10 0 ADAERP CCC[NH2+]CCC[C@H]1CCC[NH2+]1 308092100 572683107 /nfs/dbraw/zinc/68/31/07/572683107.db2.gz UQTICARTNYRLOR-JTQLQIEISA-N 2 0 170.300 1.518 10 0 ADAERP CC(C)C[C@@H]1C[C@@H](C)[NH2+]C[C@@H]1C[NH3+] 253484473 572683749 /nfs/dbraw/zinc/68/37/49/572683749.db2.gz HNIQUNCKRWCCGJ-MXWKQRLJSA-N 2 0 184.327 1.605 10 0 ADAERP CCC[C@H]1C[C@@H]1[NH2+]C[C@H](C)[NH3+] 307869931 572683853 /nfs/dbraw/zinc/68/38/53/572683853.db2.gz IKQCXLMUPCINNU-CIUDSAMLSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H](C[NH2+]C[C@H]1[NH2+]CC[C@H]1C)C1CC1 299895634 572683898 /nfs/dbraw/zinc/68/38/98/572683898.db2.gz ADOPNXRPNCGWOL-CKYFFXLPSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894457 572683937 /nfs/dbraw/zinc/68/39/37/572683937.db2.gz WTNIEXMWMYFVPA-JLLWLGSASA-N 2 0 194.322 1.469 10 0 ADAERP C[C@@H]1[C@@H](C2CCCC2)[C@@H]([NH3+])CC[N@@H+]1C 253483977 572684184 /nfs/dbraw/zinc/68/41/84/572684184.db2.gz CRDQHJJEWCCJGN-USWWRNFRSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@H](C1CC1)[N@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299894459 572684256 /nfs/dbraw/zinc/68/42/56/572684256.db2.gz WTNIEXMWMYFVPA-YUSALJHKSA-N 2 0 194.322 1.469 10 0 ADAERP C[C@@H]1C[C@H](c2ccco2)[C@@H](C[NH3+])C[NH2+]1 253483885 572684518 /nfs/dbraw/zinc/68/45/18/572684518.db2.gz BUCSIQYUTCBITJ-UTLUCORTSA-N 2 0 194.278 1.320 10 0 ADAERP C[C@@H]1[C@@H]2C[C@@H](C[NH3+])C[C@@H]2CC[N@@H+]1C 253483693 572684572 /nfs/dbraw/zinc/68/45/72/572684572.db2.gz AKWRDCPMAPGSJB-RCWTZXSCSA-N 2 0 182.311 1.312 10 0 ADAERP CC(C)CCN1C[C@@H]2CCC[NH2+][C@H]2C1 299894720 572684612 /nfs/dbraw/zinc/68/46/12/572684612.db2.gz ZOZAPASLZHREAI-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP CC1=[NH+][C@@H]2CC[C@H]([NH3+])C[C@H]2N1C1CC1 253483979 572684710 /nfs/dbraw/zinc/68/47/10/572684710.db2.gz CRLNJZDKFNXXFY-JMJZKYOTSA-N 2 0 193.294 1.131 10 0 ADAERP CC(C)CCN1C[C@H]2CCC[NH2+][C@H]2C1 299894719 572684804 /nfs/dbraw/zinc/68/48/04/572684804.db2.gz ZOZAPASLZHREAI-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1[C@@H]2C[C@@H](C[NH3+])C[C@H]2CC[N@@H+]1C 253483694 572685032 /nfs/dbraw/zinc/68/50/32/572685032.db2.gz AKWRDCPMAPGSJB-YTWAJWBKSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[C@@H](c2ccco2)[C@@H](C[NH3+])C[NH2+]1 253483884 572685175 /nfs/dbraw/zinc/68/51/75/572685175.db2.gz BUCSIQYUTCBITJ-KXUCPTDWSA-N 2 0 194.278 1.320 10 0 ADAERP C[C@@H]1C[C@H](C2CCCC2)[C@@H](C[NH3+])C[NH2+]1 253484664 572685383 /nfs/dbraw/zinc/68/53/83/572685383.db2.gz IVAUREDLPOQIEG-ADEWGFFLSA-N 2 0 196.338 1.750 10 0 ADAERP C[C@@H]1[C@@H]2C[C@H](C[NH3+])C[C@H]2CC[N@@H+]1C 253483692 572685583 /nfs/dbraw/zinc/68/55/83/572685583.db2.gz AKWRDCPMAPGSJB-DBIOUOCHSA-N 2 0 182.311 1.312 10 0 ADAERP CC[NH2+][C@H]1CCCC[C@H]1[NH2+]CC 116415675 572685550 /nfs/dbraw/zinc/68/55/50/572685550.db2.gz QQHMNKRUMYTFHL-AOOOYVTPSA-N 2 0 170.300 1.517 10 0 ADAERP C[C@@H]1[C@H](C2CCCC2)[C@@H]([NH3+])CC[N@@H+]1C 253483976 572685642 /nfs/dbraw/zinc/68/56/42/572685642.db2.gz CRDQHJJEWCCJGN-ADEWGFFLSA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)C[C@@H]1C[C@H](C)[NH2+]C[C@@H]1C[NH3+] 253484472 572685748 /nfs/dbraw/zinc/68/57/48/572685748.db2.gz HNIQUNCKRWCCGJ-AXFHLTTASA-N 2 0 184.327 1.605 10 0 ADAERP CC1=[NH+][C@@H]2CC[C@@H]([NH3+])C[C@H]2N1C1CC1 253483978 572686066 /nfs/dbraw/zinc/68/60/66/572686066.db2.gz CRLNJZDKFNXXFY-FBIMIBRVSA-N 2 0 193.294 1.131 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1[NH2+]CC[C@H]1C 299896251 572686363 /nfs/dbraw/zinc/68/63/63/572686363.db2.gz JGOFYHWHTFWLRC-DBIOUOCHSA-N 2 0 182.311 1.230 10 0 ADAERP CCC[C@H]1C[C@H]1[NH2+]C[C@H](C)[NH3+] 307869933 572686467 /nfs/dbraw/zinc/68/64/67/572686467.db2.gz IKQCXLMUPCINNU-XHNCKOQMSA-N 2 0 156.273 1.112 10 0 ADAERP CC[NH2+][C@@H]1CCCC[C@H]1[NH2+]CC 116415679 572686560 /nfs/dbraw/zinc/68/65/60/572686560.db2.gz QQHMNKRUMYTFHL-NXEZZACHSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)C1(C[NH2+]C[C@@H](C)[C@@H](C)[NH3+])CC1 232531708 572686653 /nfs/dbraw/zinc/68/66/53/572686653.db2.gz XIMUSEWNCXHNLJ-GHMZBOCLSA-N 2 0 198.354 1.996 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1CN1CCCCC1 235306312 572686713 /nfs/dbraw/zinc/68/67/13/572686713.db2.gz GENZBDCNVOWVDV-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1[NH2+]CC[C@H]1C 299895847 572686741 /nfs/dbraw/zinc/68/67/41/572686741.db2.gz DCLCTLJGMSOGOU-KXUCPTDWSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]CCc1ccccc1 66147822 572687535 /nfs/dbraw/zinc/68/75/35/572687535.db2.gz MOISNRLATWGSBX-LLVKDONJSA-N 2 0 192.306 1.556 10 0 ADAERP CC[NH2+]CCC[NH2+]C(C)(C)CC 66141219 572688601 /nfs/dbraw/zinc/68/86/01/572688601.db2.gz NJGZZNMLHKGFPS-UHFFFAOYSA-N 2 0 172.316 1.764 10 0 ADAERP C[C@H]1CC[NH2+][C@@H]1C[NH2+]C[C@H]1C[C@H]1C 299896253 572687202 /nfs/dbraw/zinc/68/72/02/572687202.db2.gz JGOFYHWHTFWLRC-LNFKQOIKSA-N 2 0 182.311 1.230 10 0 ADAERP CCCC[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147366 572687306 /nfs/dbraw/zinc/68/73/06/572687306.db2.gz JNFLSMANYPILPW-MNOVXSKESA-N 2 0 184.327 1.907 10 0 ADAERP CCC(C)(C)[NH2+]CCC[NH2+]C 66141218 572687323 /nfs/dbraw/zinc/68/73/23/572687323.db2.gz QEMBVIREAMALSN-UHFFFAOYSA-N 2 0 158.289 1.374 10 0 ADAERP CC[C@H](C)[NH2+][C@@H](C)CC[NH3+] 66147897 572687350 /nfs/dbraw/zinc/68/73/50/572687350.db2.gz GFLLIVCRKKGQAO-YUMQZZPRSA-N 2 0 144.262 1.112 10 0 ADAERP CC(C)[C@H](C)N(C)C[C@H]1[NH2+]CC[C@@H]1C 299895691 572687381 /nfs/dbraw/zinc/68/73/81/572687381.db2.gz BCPHUEPBXIHHJV-SDDRHHMPSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1[NH2+]CC[C@H]1C 299896252 572688955 /nfs/dbraw/zinc/68/89/55/572688955.db2.gz JGOFYHWHTFWLRC-GWOFURMSSA-N 2 0 182.311 1.230 10 0 ADAERP CC[NH2+][C@H]1CCCC[C@@H]1[NH2+]CC 116415677 572687621 /nfs/dbraw/zinc/68/76/21/572687621.db2.gz QQHMNKRUMYTFHL-UWVGGRQHSA-N 2 0 170.300 1.517 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]C(C)(C)C 66147836 572687759 /nfs/dbraw/zinc/68/77/59/572687759.db2.gz VYAMWUKXPKPEAE-SSDOTTSWSA-N 2 0 144.262 1.112 10 0 ADAERP CCCC[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147367 572687781 /nfs/dbraw/zinc/68/77/81/572687781.db2.gz JNFLSMANYPILPW-GHMZBOCLSA-N 2 0 184.327 1.907 10 0 ADAERP CC[C@@H](C)[NH2+][C@@H](C)CC[NH3+] 66147895 572688166 /nfs/dbraw/zinc/68/81/66/572688166.db2.gz GFLLIVCRKKGQAO-SFYZADRCSA-N 2 0 144.262 1.112 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]C1CCCC1 66147885 572688362 /nfs/dbraw/zinc/68/83/62/572688362.db2.gz LXEWMKDVTJPEJQ-MRVPVSSYSA-N 2 0 156.273 1.256 10 0 ADAERP CC1([NH2+]C/C=C\C[NH3+])CCC1 307871253 572688419 /nfs/dbraw/zinc/68/84/19/572688419.db2.gz JLUNDLUAHAKXJG-IHWYPQMZSA-N 2 0 154.257 1.034 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1[NH2+]CC[C@H]1C 299895848 572688422 /nfs/dbraw/zinc/68/84/22/572688422.db2.gz DCLCTLJGMSOGOU-UTLUCORTSA-N 2 0 170.300 1.373 10 0 ADAERP CC[C@@H](C)[NH2+][C@H](C)CC[NH3+] 66147900 572688424 /nfs/dbraw/zinc/68/84/24/572688424.db2.gz GFLLIVCRKKGQAO-HTQZYQBOSA-N 2 0 144.262 1.112 10 0 ADAERP CC(C)[C@H](C)N(C)C[C@@H]1[NH2+]CC[C@H]1C 299895692 572688444 /nfs/dbraw/zinc/68/84/44/572688444.db2.gz BCPHUEPBXIHHJV-WOPDTQHZSA-N 2 0 198.354 1.961 10 0 ADAERP CC(C)[C@H]1C[C@@H](C)[NH2+]C[C@@H]1C[NH3+] 253485900 572691256 /nfs/dbraw/zinc/69/12/56/572691256.db2.gz SITFVQOACJQCBL-KXUCPTDWSA-N 2 0 170.300 1.215 10 0 ADAERP C[C@@H](CC[NH3+])[NH2+]C1CCCCC1 66147855 572688652 /nfs/dbraw/zinc/68/86/52/572688652.db2.gz NGBIINOXDVHLJT-VIFPVBQESA-N 2 0 170.300 1.646 10 0 ADAERP C[C@@H]1C[C@H](CC(C)(C)C)[C@@H](C[NH3+])C[NH2+]1 253485673 572691261 /nfs/dbraw/zinc/69/12/61/572691261.db2.gz QGSVZAZSOUJJEW-MXWKQRLJSA-N 2 0 198.354 1.996 10 0 ADAERP CCCC[NH2+][C@@H](C)CC[NH3+] 66147911 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NGBIINOXDVHLJT-SECBINFHSA-N 2 0 170.300 1.646 10 0 ADAERP C[C@@H](CC[NH3+])[NH2+]C1CCCC1 66147882 572690331 /nfs/dbraw/zinc/69/03/31/572690331.db2.gz LXEWMKDVTJPEJQ-QMMMGPOBSA-N 2 0 156.273 1.256 10 0 ADAERP CCCC[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147363 572690352 /nfs/dbraw/zinc/69/03/52/572690352.db2.gz JNFLSMANYPILPW-QWRGUYRKSA-N 2 0 184.327 1.907 10 0 ADAERP CC[C@H](C)[NH2+][C@H](C)CC[NH3+] 66147903 572690456 /nfs/dbraw/zinc/69/04/56/572690456.db2.gz GFLLIVCRKKGQAO-JGVFFNPUSA-N 2 0 144.262 1.112 10 0 ADAERP CCCC[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147364 572690720 /nfs/dbraw/zinc/69/07/20/572690720.db2.gz JNFLSMANYPILPW-WDEREUQCSA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)[C@@H]1C[C@@H](C)[NH2+]C[C@@H]1C[NH3+] 253485901 572691213 /nfs/dbraw/zinc/69/12/13/572691213.db2.gz SITFVQOACJQCBL-UTLUCORTSA-N 2 0 170.300 1.215 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 253485034 572691219 /nfs/dbraw/zinc/69/12/19/572691219.db2.gz LMHBBNMCVZVVPH-AXFHLTTASA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])[C@@H](C2CCCC2)C[N@@H+]1C 253485589 572691513 /nfs/dbraw/zinc/69/15/13/572691513.db2.gz PQVXDSMWSYNAGT-YUSALJHKSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]1[C@@H]2C[C@H]([NH3+])C[C@H]2CC[N@@H+]1C 253484430 572691494 /nfs/dbraw/zinc/69/14/94/572691494.db2.gz HGNKZULSXHOFRW-KYXWUPHJSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@@H]1[C@@H]2C[C@@H]([NH3+])C[C@H]2CC[N@@H+]1C 253484428 572691742 /nfs/dbraw/zinc/69/17/42/572691742.db2.gz HGNKZULSXHOFRW-IMSYWVGJSA-N 2 0 168.284 1.064 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 253485036 572691904 /nfs/dbraw/zinc/69/19/04/572691904.db2.gz LMHBBNMCVZVVPH-HBNTYKKESA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@@H+]1C1CC1 253485702 572692202 /nfs/dbraw/zinc/69/22/02/572692202.db2.gz QMQPQOWZOIHHFT-FXPVBKGRSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1[C@@H]2[C@H](CC[N@@H+]1C)[NH2+]CCC2(C)C 253485634 572692262 /nfs/dbraw/zinc/69/22/62/572692262.db2.gz PZHVDHBZTIEFJA-OUAUKWLOSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])[C@@H](C2CCCC2)C[N@@H+]1C 253485588 572692321 /nfs/dbraw/zinc/69/23/21/572692321.db2.gz PQVXDSMWSYNAGT-JLLWLGSASA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)[C@@H]1[C@@H]([NH3+])CC[N@H+](C)[C@H]1C 253485364 572692430 /nfs/dbraw/zinc/69/24/30/572692430.db2.gz NZJKPOXNMRORMD-GUBZILKMSA-N 2 0 170.300 1.310 10 0 ADAERP C[NH2+]CC(C)(C)[NH2+]C[C@@H](C)C1CC1 313078285 572692657 /nfs/dbraw/zinc/69/26/57/572692657.db2.gz UBYGJWLTKFQBSJ-SECBINFHSA-N 2 0 184.327 1.620 10 0 ADAERP CC[C@H](C)C[NH+]1CCC[NH2+]CCC1 54490938 572692716 /nfs/dbraw/zinc/69/27/16/572692716.db2.gz MTZBJXRLDVDBLT-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2[C@H]1C 253485037 572694105 /nfs/dbraw/zinc/69/41/05/572694105.db2.gz LMHBBNMCVZVVPH-MXWKQRLJSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@@H+]1C1CC1 253485703 572692898 /nfs/dbraw/zinc/69/28/98/572692898.db2.gz QMQPQOWZOIHHFT-KKZNHRDASA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1[C@@H]2C[C@@H]([NH3+])C[C@@H]2CC[N@@H+]1C 253484429 572693092 /nfs/dbraw/zinc/69/30/92/572693092.db2.gz HGNKZULSXHOFRW-KATARQTJSA-N 2 0 168.284 1.064 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H]([NH3+])CC(C)C 54488721 572693107 /nfs/dbraw/zinc/69/31/07/572693107.db2.gz KPJUWHGFBFIEPW-GHMZBOCLSA-N 2 0 186.343 1.996 10 0 ADAERP CC[N@H+](C)CCNc1cccc(N)[nH+]1 87726296 572693369 /nfs/dbraw/zinc/69/33/69/572693369.db2.gz MKUSSERWGNZFBN-UHFFFAOYSA-N 2 0 194.282 1.027 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 253485035 572693477 /nfs/dbraw/zinc/69/34/77/572693477.db2.gz LMHBBNMCVZVVPH-GMTAPVOTSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C[NH2+]1 253485088 572693502 /nfs/dbraw/zinc/69/35/02/572693502.db2.gz LWPZWZHWVDNHEP-VQVTYTSYSA-N 2 0 196.216 1.122 10 0 ADAERP C[C@@H]1C[C@@H](C(F)(F)F)[C@@H](C[NH3+])C[NH2+]1 253485087 572693623 /nfs/dbraw/zinc/69/36/23/572693623.db2.gz LWPZWZHWVDNHEP-DSYKOEDSSA-N 2 0 196.216 1.122 10 0 ADAERP 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C[C@H](CF)[NH2+]C[C@H]1CC=C[C@H]([NH3+])C1 714216153 572709981 /nfs/dbraw/zinc/70/99/81/572709981.db2.gz QOEBRYUDUNIWAG-UTLUCORTSA-N 2 0 186.274 1.228 10 0 ADAERP C[N@H+](CCF)[C@H]1CCCC[C@@H]1C[NH3+] 87776657 572710058 /nfs/dbraw/zinc/71/00/58/572710058.db2.gz WTSQSFARBZLDHJ-ZJUUUORDSA-N 2 0 188.290 1.405 10 0 ADAERP CCC[N@H+](CCF)CC(C)(C)C[NH3+] 87776682 572710482 /nfs/dbraw/zinc/71/04/82/572710482.db2.gz LLPSMGGDSHBMAJ-UHFFFAOYSA-N 2 0 190.306 1.653 10 0 ADAERP C[C@H](CCC[NH3+])C[NH+]1CCC1 307880021 572711094 /nfs/dbraw/zinc/71/10/94/572711094.db2.gz RDTAYXVGMIHMGR-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP CC[NH+](CC)C[C@H]1CC=C[C@H]([NH3+])C1 714205490 572711100 /nfs/dbraw/zinc/71/11/00/572711100.db2.gz UIXDXOWMXPZKNM-QWRGUYRKSA-N 2 0 182.311 1.622 10 0 ADAERP CC[N@H+](CCF)C1CCC([NH3+])CC1 87776679 572711125 /nfs/dbraw/zinc/71/11/25/572711125.db2.gz VQRWZBBMOBVRAY-UHFFFAOYSA-N 2 0 188.290 1.548 10 0 ADAERP CC[N@H+](CCF)[C@@H]1CCC[C@@H]1C[NH3+] 87776654 572711182 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174.263 1.015 10 0 ADAERP C[N@H+](CCF)[C@H]1CCC[C@@H]1C[NH3+] 87776653 572712570 /nfs/dbraw/zinc/71/25/70/572712570.db2.gz ZIOCKOCICJLORG-BDAKNGLRSA-N 2 0 174.263 1.015 10 0 ADAERP CC[NH+]1CCC(C[NH2+]CCF)CC1 87774995 572712596 /nfs/dbraw/zinc/71/25/96/572712596.db2.gz IPKHKCXUYRDPND-UHFFFAOYSA-N 2 0 188.290 1.277 10 0 ADAERP C[C@]1(C[NH2+]C2CCC2)CCC[NH2+]1 70619897 572713043 /nfs/dbraw/zinc/71/30/43/572713043.db2.gz NPWIBLUHBPIISW-SNVBAGLBSA-N 2 0 168.284 1.271 10 0 ADAERP C[C@@H](CC[NH3+])C[C@@H](C)CC[NH3+] 238436336 572713103 /nfs/dbraw/zinc/71/31/03/572713103.db2.gz GZAJMQJODBQIIV-IUCAKERBSA-N 2 0 158.289 1.346 10 0 ADAERP CC[NH+](CC)C[C@H]1CC=C[C@@H]([NH3+])C1 714205602 572713231 /nfs/dbraw/zinc/71/32/31/572713231.db2.gz UIXDXOWMXPZKNM-WDEREUQCSA-N 2 0 182.311 1.622 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 70619901 572713247 /nfs/dbraw/zinc/71/32/47/572713247.db2.gz XXTCDKBXKQPTFQ-BBBLOLIVSA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+]CC[C@H]1CC[C@@H](CC[NH3+])CC1 307879735 572713721 /nfs/dbraw/zinc/71/37/21/572713721.db2.gz XUXZELZSNNYLRE-AOOOYVTPSA-N 2 0 170.300 1.490 10 0 ADAERP CCCC[C@@H](C[NH3+])Nc1[nH+]ccn1C 87780115 572713853 /nfs/dbraw/zinc/71/38/53/572713853.db2.gz FZPZTEPUZBWYTJ-VIFPVBQESA-N 2 0 196.298 1.350 10 0 ADAERP C[C@@H](CCC[NH3+])C[NH+]1CCC1 307880022 572713894 /nfs/dbraw/zinc/71/38/94/572713894.db2.gz RDTAYXVGMIHMGR-VIFPVBQESA-N 2 0 156.273 1.067 10 0 ADAERP CCC[NH2+]C[C@@]1(C)CCC[NH2+]1 70619666 572714002 /nfs/dbraw/zinc/71/40/02/572714002.db2.gz DEDBRKLOMLKOCP-SECBINFHSA-N 2 0 156.273 1.128 10 0 ADAERP CCC[NH2+]C[C@]1(C)CCC[NH2+]1 70619665 572714144 /nfs/dbraw/zinc/71/41/44/572714144.db2.gz DEDBRKLOMLKOCP-VIFPVBQESA-N 2 0 156.273 1.128 10 0 ADAERP [NH3+]CCC[C@H]1CCC[N@@H+]1CCF 87777360 572714249 /nfs/dbraw/zinc/71/42/49/572714249.db2.gz KZCQDJLIRADXDH-VIFPVBQESA-N 2 0 174.263 1.159 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 70619899 572714330 /nfs/dbraw/zinc/71/43/30/572714330.db2.gz XXTCDKBXKQPTFQ-UTLUCORTSA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+][C@H]1C=CC[C@@H](C[NH2+]CCC2CC2)C1 714215937 572715009 /nfs/dbraw/zinc/71/50/09/572715009.db2.gz KYWOKZNLUVFRKJ-NEPJUHHUSA-N 2 0 194.322 1.670 10 0 ADAERP CCCC[C@H](C[NH3+])Nc1[nH+]ccn1C 87780117 572715121 /nfs/dbraw/zinc/71/51/21/572715121.db2.gz FZPZTEPUZBWYTJ-SECBINFHSA-N 2 0 196.298 1.350 10 0 ADAERP C[N@H+](CCF)CCC1CC[NH2+]CC1 87779103 572715200 /nfs/dbraw/zinc/71/52/00/572715200.db2.gz MBSGQLIDJJBOLR-UHFFFAOYSA-N 2 0 188.290 1.277 10 0 ADAERP C[C@H](CC[NH3+])[N@@H+]1CCCSCC1 48895987 572715909 /nfs/dbraw/zinc/71/59/09/572715909.db2.gz PVURNHUWZGOXKS-SECBINFHSA-N 2 0 188.340 1.163 10 0 ADAERP [NH3+][C@@H]1C=CC[C@H](C[NH2+]CCC2CC2)C1 714215938 572716139 /nfs/dbraw/zinc/71/61/39/572716139.db2.gz KYWOKZNLUVFRKJ-NWDGAFQWSA-N 2 0 194.322 1.670 10 0 ADAERP [NH3+][C@@H]1C=CC[C@@H](C[NH2+]CCC2CC2)C1 714215939 572716361 /nfs/dbraw/zinc/71/63/61/572716361.db2.gz KYWOKZNLUVFRKJ-VXGBXAGGSA-N 2 0 194.322 1.670 10 0 ADAERP C[C@@H]1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1 70644850 572716483 /nfs/dbraw/zinc/71/64/83/572716483.db2.gz HSQGVGWEIWYJOH-PWSUYJOCSA-N 2 0 196.338 1.846 10 0 ADAERP CCN([C@H]1CC[C@H](C)C1)[C@@H]1CC[NH2+]C1 70644931 572716553 /nfs/dbraw/zinc/71/65/53/572716553.db2.gz VBILWHMXPMOVSS-SDDRHHMPSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1 70644853 572716662 /nfs/dbraw/zinc/71/66/62/572716662.db2.gz HSQGVGWEIWYJOH-CMPLNLGQSA-N 2 0 196.338 1.846 10 0 ADAERP CCN(C)CC[NH2+][C@@H]1CC[C@H]1C 308098599 572716741 /nfs/dbraw/zinc/71/67/41/572716741.db2.gz FIKHYDOORXMGNN-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1CCF 87777361 572716851 /nfs/dbraw/zinc/71/68/51/572716851.db2.gz KZCQDJLIRADXDH-SECBINFHSA-N 2 0 174.263 1.159 10 0 ADAERP [NH3+][C@H]1CC=CC[C@H]([NH3+])CC=CC1 307878366 572716877 /nfs/dbraw/zinc/71/68/77/572716877.db2.gz VFUUSRWQGIGDII-MGCOHNPYSA-N 2 0 166.268 1.327 10 0 ADAERP Cc1ccnc(NCc2ncc[nH]2)c1 70646533 572716906 /nfs/dbraw/zinc/71/69/06/572716906.db2.gz WQKPZYCDEXBGDW-UHFFFAOYSA-N 2 0 188.234 1.725 10 0 ADAERP CCN(C)CC[NH2+][C@H]1CC[C@@H]1C 308098601 572717181 /nfs/dbraw/zinc/71/71/81/572717181.db2.gz FIKHYDOORXMGNN-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@H]1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1 70644851 572717207 /nfs/dbraw/zinc/71/72/07/572717207.db2.gz HSQGVGWEIWYJOH-JQWIXIFHSA-N 2 0 196.338 1.846 10 0 ADAERP CCn1cc[nH+]c1NCc1ncc[nH]1 70646554 572717217 /nfs/dbraw/zinc/71/72/17/572717217.db2.gz QSWPFGNNHRBJMR-UHFFFAOYSA-N 2 0 191.238 1.238 10 0 ADAERP CCCC[NH2+]C[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 299898215 572717285 /nfs/dbraw/zinc/71/72/85/572717285.db2.gz UFLHYKYFCHVYIN-TUAOUCFPSA-N 2 0 196.338 1.764 10 0 ADAERP CCCC[NH2+]C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299898216 572717297 /nfs/dbraw/zinc/71/72/97/572717297.db2.gz UFLHYKYFCHVYIN-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP CCN(C)CC[NH2+][C@H]1CC[C@H]1C 308098604 572717404 /nfs/dbraw/zinc/71/74/04/572717404.db2.gz FIKHYDOORXMGNN-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@H]([NH3+])CC[NH2+]CCCF 307882010 572717516 /nfs/dbraw/zinc/71/75/16/572717516.db2.gz SRADVVWXWPAZBM-QMMMGPOBSA-N 2 0 162.252 1.063 10 0 ADAERP C[C@H]1CCC[N@@H+]1CCSC(N)=[NH2+] 238442875 572718087 /nfs/dbraw/zinc/71/80/87/572718087.db2.gz UIGICGWGKRPSTD-ZETCQYMHSA-N 2 0 187.312 1.097 10 0 ADAERP CCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283823 572718240 /nfs/dbraw/zinc/71/82/40/572718240.db2.gz LETVZOLPMFYEEE-SDDRHHMPSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]([NH3+])CC[NH2+]CCCF 307882007 572718307 /nfs/dbraw/zinc/71/83/07/572718307.db2.gz SRADVVWXWPAZBM-MRVPVSSYSA-N 2 0 162.252 1.063 10 0 ADAERP CC[N@H+](C)Cc1cc(C[NH3+])sc1C 87794441 572718796 /nfs/dbraw/zinc/71/87/96/572718796.db2.gz CBRTYOBJQAVJQF-UHFFFAOYSA-N 2 0 198.335 1.967 10 0 ADAERP C[C@@H]1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1 70644852 572718450 /nfs/dbraw/zinc/71/84/50/572718450.db2.gz HSQGVGWEIWYJOH-ZYHUDNBSSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2)C1 70643633 572718528 /nfs/dbraw/zinc/71/85/28/572718528.db2.gz IOOQDHMFJOJTBM-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)C1 70643631 572718716 /nfs/dbraw/zinc/71/87/16/572718716.db2.gz IOOQDHMFJOJTBM-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP CCCN(c1cc[nH+]cc1)C1C[NH2+]C1 85271472 572720097 /nfs/dbraw/zinc/72/00/97/572720097.db2.gz MAZOZHFUOOFIAG-UHFFFAOYSA-N 2 0 191.278 1.270 10 0 ADAERP CCSCC[NH2+][C@H](C)CCC[NH3+] 308098678 572719169 /nfs/dbraw/zinc/71/91/69/572719169.db2.gz FKXWRFMREFYOKP-SECBINFHSA-N 2 0 190.356 1.457 10 0 ADAERP CC(C)(C)[C@H]([NH3+])CC[NH+]1CCC1 308099133 572719180 /nfs/dbraw/zinc/71/91/80/572719180.db2.gz FTBVDVMACRFNCZ-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CCSCC[NH2+][C@@H](C)CCC[NH3+] 308098680 572719211 /nfs/dbraw/zinc/71/92/11/572719211.db2.gz FKXWRFMREFYOKP-VIFPVBQESA-N 2 0 190.356 1.457 10 0 ADAERP CSCCC[NH2+]CCC(C)(C)[NH3+] 308098612 572719292 /nfs/dbraw/zinc/71/92/92/572719292.db2.gz FISDCXILWODJIL-UHFFFAOYSA-N 2 0 190.356 1.457 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])CC[NH+]1CCC1 308099134 572719461 /nfs/dbraw/zinc/71/94/61/572719461.db2.gz FTBVDVMACRFNCZ-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)C1 70644930 572719571 /nfs/dbraw/zinc/71/95/71/572719571.db2.gz VBILWHMXPMOVSS-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]Cc1cc(C[NH+](C)C)c(C)s1 87794419 572720595 /nfs/dbraw/zinc/72/05/95/572720595.db2.gz IZJDONBYKWNLAO-UHFFFAOYSA-N 2 0 198.335 1.838 10 0 ADAERP C[C@H](C[NH3+])SCC[NH+]1CCCC1 85308732 572721248 /nfs/dbraw/zinc/72/12/48/572721248.db2.gz AYSADCUEBBLXGV-SECBINFHSA-N 2 0 188.340 1.163 10 0 ADAERP C[C@H](C[NH3+])SCC1CC[NH2+]CC1 85301805 572721556 /nfs/dbraw/zinc/72/15/56/572721556.db2.gz XXNZUVBNIYZEGW-MRVPVSSYSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@@H]([NH3+])CSC[C@H]1CCC[NH2+]C1 85310606 572721324 /nfs/dbraw/zinc/72/13/24/572721324.db2.gz UZYNARYICSAVBP-BDAKNGLRSA-N 2 0 188.340 1.066 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]CCCF 307884805 572721558 /nfs/dbraw/zinc/72/15/58/572721558.db2.gz WEOLRALYNILLGG-MRVPVSSYSA-N 2 0 162.252 1.063 10 0 ADAERP C/C=C\CC[NH2+]CC(C)(C)[NH3+] 307884904 572721343 /nfs/dbraw/zinc/72/13/43/572721343.db2.gz UEOCGQWOKISVRS-PLNGDYQASA-N 2 0 156.273 1.280 10 0 ADAERP C[C@@H](C[NH3+])SC[C@@H]1CCC[NH2+]C1 85302114 572721384 /nfs/dbraw/zinc/72/13/84/572721384.db2.gz XWAOCJDZRDRHIQ-DTWKUNHWSA-N 2 0 188.340 1.066 10 0 ADAERP CC(C)[NH2+]CCCS[C@H](C)C[NH3+] 85301863 572721448 /nfs/dbraw/zinc/72/14/48/572721448.db2.gz NAWHBHWOBYPLQR-SECBINFHSA-N 2 0 190.356 1.455 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+]CCCF 307884806 572721470 /nfs/dbraw/zinc/72/14/70/572721470.db2.gz WEOLRALYNILLGG-QMMMGPOBSA-N 2 0 162.252 1.063 10 0 ADAERP CC(C)SCCN(C)CC[NH3+] 307880921 572721712 /nfs/dbraw/zinc/72/17/12/572721712.db2.gz RQODQJJTVMTHAV-UHFFFAOYSA-N 2 0 176.329 1.019 10 0 ADAERP CC(C)[NH2+]CCS[C@H](C)C[NH3+] 85301958 572721896 /nfs/dbraw/zinc/72/18/96/572721896.db2.gz HDYRPDFKOUNTCD-MRVPVSSYSA-N 2 0 176.329 1.065 10 0 ADAERP C[C@@H](C[NH3+])SC[C@@H]1CCCC[NH2+]1 85301703 572721972 /nfs/dbraw/zinc/72/19/72/572721972.db2.gz AONOWOOWMFJMFI-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP CC(C)[NH2+]CCS[C@@H](C)C[NH3+] 85301955 572722002 /nfs/dbraw/zinc/72/20/02/572722002.db2.gz HDYRPDFKOUNTCD-QMMMGPOBSA-N 2 0 176.329 1.065 10 0 ADAERP C[C@H]([NH3+])CSC[C@@H]1CCCC[NH2+]1 85310327 572722292 /nfs/dbraw/zinc/72/22/92/572722292.db2.gz LTIGICFCKVCIAS-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H](C[NH3+])SC[C@H]1CCC[NH2+]C1 85302126 572722474 /nfs/dbraw/zinc/72/24/74/572722474.db2.gz XWAOCJDZRDRHIQ-BDAKNGLRSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@@H](C[NH3+])SC[C@H]1CCC[NH2+]C1 85302123 572722490 /nfs/dbraw/zinc/72/24/90/572722490.db2.gz XWAOCJDZRDRHIQ-IUCAKERBSA-N 2 0 188.340 1.066 10 0 ADAERP CC(C)[NH2+]CCCSC[C@H](C)[NH3+] 85310411 572722554 /nfs/dbraw/zinc/72/25/54/572722554.db2.gz WFXIQFXHAPVWNX-VIFPVBQESA-N 2 0 190.356 1.455 10 0 ADAERP C[C@H]([NH3+])CCS[C@H]1CCC[NH2+]C1 85316743 572724071 /nfs/dbraw/zinc/72/40/71/572724071.db2.gz MCKQAZNPVGKRBW-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H](C[NH3+])SCC1CC[NH2+]CC1 85301803 572722663 /nfs/dbraw/zinc/72/26/63/572722663.db2.gz XXNZUVBNIYZEGW-QMMMGPOBSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@H]([NH3+])CSC[C@H]1CCC[NH2+]C1 85310605 572722811 /nfs/dbraw/zinc/72/28/11/572722811.db2.gz UZYNARYICSAVBP-IUCAKERBSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@@H]([NH3+])CSC[C@@H]1CCCC[NH2+]1 85310330 572722972 /nfs/dbraw/zinc/72/29/72/572722972.db2.gz LTIGICFCKVCIAS-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]([NH3+])CSC[C@@H]1CCC[NH2+]C1 85310602 572723040 /nfs/dbraw/zinc/72/30/40/572723040.db2.gz UZYNARYICSAVBP-RKDXNWHRSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@@H](C[NH3+])SC[C@H]1CCCC[NH2+]1 85301714 572723114 /nfs/dbraw/zinc/72/31/14/572723114.db2.gz AONOWOOWMFJMFI-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]([NH3+])CSC[C@H]1CCCC[NH2+]1 85310334 572723212 /nfs/dbraw/zinc/72/32/12/572723212.db2.gz LTIGICFCKVCIAS-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H](C[NH3+])SC[C@H]1CCCC[NH2+]1 85301715 572723291 /nfs/dbraw/zinc/72/32/91/572723291.db2.gz AONOWOOWMFJMFI-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H](C[NH3+])CS[C@@H]1CCC[NH2+]C1 85319771 572727695 /nfs/dbraw/zinc/72/76/95/572727695.db2.gz YLVDTVRFLOJBET-RKDXNWHRSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@H]1C[C@H](CCC[NH3+])[C@@H](C[NH3+])C[C@H]1C 238452071 572723832 /nfs/dbraw/zinc/72/38/32/572723832.db2.gz VPAMKGREKPQVJL-WHOHXGKFSA-N 2 0 198.354 1.982 10 0 ADAERP CSCCCC[NH2+]CC(C)(C)[NH3+] 308105007 572726936 /nfs/dbraw/zinc/72/69/36/572726936.db2.gz HNZVMNRGZPJGKN-UHFFFAOYSA-N 2 0 190.356 1.457 10 0 ADAERP C[C@@H]([NH3+])CCSC[C@@H]1CC[NH2+]C1 85316682 572724130 /nfs/dbraw/zinc/72/41/30/572724130.db2.gz HBCGXIYLAGQEPK-RKDXNWHRSA-N 2 0 188.340 1.066 10 0 ADAERP CC[NH2+]CCSCC[C@@H](C)[NH3+] 85316783 572724183 /nfs/dbraw/zinc/72/41/83/572724183.db2.gz QLSNMFMLKXNRDR-MRVPVSSYSA-N 2 0 176.329 1.066 10 0 ADAERP CC(C)[NH2+]CCSCCC[NH3+] 85314578 572724241 /nfs/dbraw/zinc/72/42/41/572724241.db2.gz HNWIMVFBWNGNTL-UHFFFAOYSA-N 2 0 176.329 1.066 10 0 ADAERP C[C@@H]([NH3+])CSCC[NH+]1CCCC1 85314355 572724369 /nfs/dbraw/zinc/72/43/69/572724369.db2.gz UVHBSKKEKXCHHF-SECBINFHSA-N 2 0 188.340 1.163 10 0 ADAERP CCC1(C[NH2+][C@H](C)CC[NH3+])CC1 308105643 572724407 /nfs/dbraw/zinc/72/44/07/572724407.db2.gz HSZQOVWGBYIHBQ-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP [NH3+]CCCSC[C@@H]1CCCC[NH2+]1 85314558 572724442 /nfs/dbraw/zinc/72/44/42/572724442.db2.gz FIWHQYAYLZCZMI-VIFPVBQESA-N 2 0 188.340 1.211 10 0 ADAERP C[C@H]([NH3+])CCS[C@@H]1CCC[NH2+]C1 85316741 572724508 /nfs/dbraw/zinc/72/45/08/572724508.db2.gz MCKQAZNPVGKRBW-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP CC[NH2+]CCSCC[C@H](C)[NH3+] 85316784 572724511 /nfs/dbraw/zinc/72/45/11/572724511.db2.gz QLSNMFMLKXNRDR-QMMMGPOBSA-N 2 0 176.329 1.066 10 0 ADAERP C[C@@H]([NH3+])CCSC[C@H]1CCC[NH2+]1 85316716 572724576 /nfs/dbraw/zinc/72/45/76/572724576.db2.gz XEQMEZSMYNXOAM-RKDXNWHRSA-N 2 0 188.340 1.209 10 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/nfs/dbraw/zinc/72/52/89/572725289.db2.gz QEILQUVYNBZIPF-QMMMGPOBSA-N 2 0 176.329 1.019 10 0 ADAERP [NH3+]CCCSC[C@@H]1CCC[NH2+]C1 85314592 572725436 /nfs/dbraw/zinc/72/54/36/572725436.db2.gz RYTSYKBLLJMBJQ-SECBINFHSA-N 2 0 188.340 1.068 10 0 ADAERP C[C@H]([NH3+])CCSC[C@H]1CC[NH2+]C1 85316683 572725563 /nfs/dbraw/zinc/72/55/63/572725563.db2.gz HBCGXIYLAGQEPK-IUCAKERBSA-N 2 0 188.340 1.066 10 0 ADAERP [NH3+]CCCSC1CCC([NH3+])CC1 85314553 572725581 /nfs/dbraw/zinc/72/55/81/572725581.db2.gz NFZBPKKEMMNZJQ-UHFFFAOYSA-N 2 0 188.340 1.338 10 0 ADAERP C[C@@H]([NH3+])CCSC1CC[NH2+]CC1 85316764 572725609 /nfs/dbraw/zinc/72/56/09/572725609.db2.gz KRFBQQKGUDVYMA-MRVPVSSYSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H]([NH3+])CCSC[C@H]1CC[NH2+]C1 85316684 572725817 /nfs/dbraw/zinc/72/58/17/572725817.db2.gz HBCGXIYLAGQEPK-BDAKNGLRSA-N 2 0 188.340 1.066 10 0 ADAERP CC(C)[NH2+]CCCSCCC[NH3+] 85314572 572725929 /nfs/dbraw/zinc/72/59/29/572725929.db2.gz UYNWXDXGIRJTBZ-UHFFFAOYSA-N 2 0 190.356 1.457 10 0 ADAERP 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184.308 1.875 10 0 ADAERP CC[C@H]([NH3+])CSC[C@H]1CCC[NH2+]1 85346896 572729255 /nfs/dbraw/zinc/72/92/55/572729255.db2.gz VMUZASHHYWNIJV-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@@H](CC[NH3+])SCC[NH+](C)C 85344689 572729316 /nfs/dbraw/zinc/72/93/16/572729316.db2.gz NTYAAXGDHKWTCX-QMMMGPOBSA-N 2 0 176.329 1.019 10 0 ADAERP CC[NH2+]CCSC[C@H]([NH3+])CC 85346943 572729325 /nfs/dbraw/zinc/72/93/25/572729325.db2.gz LZLRXIQYMXBWCT-MRVPVSSYSA-N 2 0 176.329 1.066 10 0 ADAERP CC[C@@H]([NH3+])CS[C@H]1CCC[NH2+]C1 85346919 572729422 /nfs/dbraw/zinc/72/94/22/572729422.db2.gz OEMULJWIRZAQJQ-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H](CC[NH3+])SCC[NH+](C)C 85344690 572730035 /nfs/dbraw/zinc/73/00/35/572730035.db2.gz NTYAAXGDHKWTCX-MRVPVSSYSA-N 2 0 176.329 1.019 10 0 ADAERP CC[C@@H]([NH3+])CSC[C@@H]1CCC[NH2+]1 85346894 572729564 /nfs/dbraw/zinc/72/95/64/572729564.db2.gz VMUZASHHYWNIJV-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP CC[C@@H]([NH3+])CSC[C@@H]1CC[NH2+]C1 85346847 572729579 /nfs/dbraw/zinc/72/95/79/572729579.db2.gz AQVMKGLBUZOGBH-RKDXNWHRSA-N 2 0 188.340 1.066 10 0 ADAERP Cc1cc(C[NH2+]CCC[NH3+])cs1 308101048 572729620 /nfs/dbraw/zinc/72/96/20/572729620.db2.gz GFUGPPSAGMLYOB-UHFFFAOYSA-N 2 0 184.308 1.495 10 0 ADAERP C[NH+](C)CCSCC(C)(C)[NH3+] 85350485 572729720 /nfs/dbraw/zinc/72/97/20/572729720.db2.gz HTVQOBCYKPESIR-UHFFFAOYSA-N 2 0 176.329 1.019 10 0 ADAERP C[C@@H]1CCC[NH2+][C@@H]1C[NH2+]C(C)(C)C 235323812 572729731 /nfs/dbraw/zinc/72/97/31/572729731.db2.gz WXQQRTIJODMAMM-NXEZZACHSA-N 2 0 184.327 1.763 10 0 ADAERP CC[C@H]([NH3+])CSCC[NH2+]C(C)C 85346912 572729734 /nfs/dbraw/zinc/72/97/34/572729734.db2.gz ZJPZSYPGYGDLDG-VIFPVBQESA-N 2 0 190.356 1.455 10 0 ADAERP CC(C)([NH3+])CSC[C@H]1CC[NH2+]C1 85349531 572729859 /nfs/dbraw/zinc/72/98/59/572729859.db2.gz VHXXZSAERJLOGF-QMMMGPOBSA-N 2 0 188.340 1.066 10 0 ADAERP CC[C@H]([NH3+])CSCC[NH+](C)C 85348599 572729889 /nfs/dbraw/zinc/72/98/89/572729889.db2.gz DZFLLVXAYHDWPI-QMMMGPOBSA-N 2 0 176.329 1.019 10 0 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87922956 572742517 /nfs/dbraw/zinc/74/25/17/572742517.db2.gz NBNMQYWIXIZHAV-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP CC[N@@H+](C1CCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87922244 572742598 /nfs/dbraw/zinc/74/25/98/572742598.db2.gz QTWISGNCXMVVKN-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+]CCC[NH2+]CC1(C2CC2)CC1 236199472 572742608 /nfs/dbraw/zinc/74/26/08/572742608.db2.gz MBSCQHWFLWKPAA-UHFFFAOYSA-N 2 0 168.284 1.115 10 0 ADAERP C1CC[NH+]([C@@H]2CC[C@H]2C[NH2+]C2CC2)C1 87921397 572742611 /nfs/dbraw/zinc/74/26/11/572742611.db2.gz UZXQMVHQPJJKST-CMPLNLGQSA-N 2 0 194.322 1.613 10 0 ADAERP CC[N@H+](CC(C)C)[C@@H]1CC[C@@H]1C[NH2+]C 87922070 572742627 /nfs/dbraw/zinc/74/26/27/572742627.db2.gz RZOBNSRRVGYMSD-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCCCC1 87921749 572742637 /nfs/dbraw/zinc/74/26/37/572742637.db2.gz BTXMNWBBWPISFI-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921338 572742644 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184.327 1.702 10 0 ADAERP CCC[NH2+]C[C@H]1CC[C@@H]1[NH+](C)C 87921786 572743772 /nfs/dbraw/zinc/74/37/72/572743772.db2.gz MXWREFRXUAPJNO-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922333 572743779 /nfs/dbraw/zinc/74/37/79/572743779.db2.gz VARHNKDXPNPMLK-FBIMIBRVSA-N 2 0 182.311 1.454 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)C1CC1 87921966 572743795 /nfs/dbraw/zinc/74/37/95/572743795.db2.gz PVGCUKWITZREBT-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[N@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87922042 572743807 /nfs/dbraw/zinc/74/38/07/572743807.db2.gz XAYVFJRLYZTLQG-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP C1CC[NH+]([C@@H]2CC[C@@H]2C[NH2+]C2CC2)C1 87921395 572743822 /nfs/dbraw/zinc/74/38/22/572743822.db2.gz UZXQMVHQPJJKST-ZYHUDNBSSA-N 2 0 194.322 1.613 10 0 ADAERP C[C@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923213 572743835 /nfs/dbraw/zinc/74/38/35/572743835.db2.gz AIDBOTMUIWDTEI-LNFKQOIKSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H](C[NH+]1CCCC1)N1CCCC1=[NH2+] 49184041 572743837 /nfs/dbraw/zinc/74/38/37/572743837.db2.gz OTAWHASSPAWACG-JTQLQIEISA-N 2 0 195.310 1.544 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)CC1CC1 87922468 572743857 /nfs/dbraw/zinc/74/38/57/572743857.db2.gz APDYKLSSIIJYAF-WDEREUQCSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[N@@H+](C(C)(C)C2CC2)CC[C@@H]1[NH3+] 235329521 572743890 /nfs/dbraw/zinc/74/38/90/572743890.db2.gz QQQPBAAADSFSRN-KOLCDFICSA-N 2 0 196.338 1.844 10 0 ADAERP CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921909 572743917 /nfs/dbraw/zinc/74/39/17/572743917.db2.gz ZXAGDSAPDZXCGQ-HBNTYKKESA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCCC1 87921424 572743935 /nfs/dbraw/zinc/74/39/35/572743935.db2.gz YGZGXNCVOJWFQV-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)C[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922140 572743948 /nfs/dbraw/zinc/74/39/48/572743948.db2.gz OPTLOOXVGKFCBY-NXEZZACHSA-N 2 0 170.300 1.312 10 0 ADAERP CC[N@H+](CC(C)C)[C@H]1CNCC[C@@H]1C 85439287 572743953 /nfs/dbraw/zinc/74/39/53/572743953.db2.gz PDFZJSUKLGGPIZ-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922332 572744006 /nfs/dbraw/zinc/74/40/06/572744006.db2.gz VARHNKDXPNPMLK-JMJZKYOTSA-N 2 0 182.311 1.454 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCCC1 87921405 572744021 /nfs/dbraw/zinc/74/40/21/572744021.db2.gz WFZZNMYWDMQCAJ-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH+](CC)[C@H]1CC[C@H]1C[NH2+]C1CC1 87921462 572744029 /nfs/dbraw/zinc/74/40/29/572744029.db2.gz ONUQHIPNJGLQTK-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C1CC1 87921983 572744058 /nfs/dbraw/zinc/74/40/58/572744058.db2.gz QYXHUZJHRXQHAS-PWSUYJOCSA-N 2 0 196.338 1.857 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H](C)C1 87922508 572744072 /nfs/dbraw/zinc/74/40/72/572744072.db2.gz DDBJGNSIMFIBBW-SRVKXCTJSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH+](CC)[C@H]1CC[C@H]1C[NH2+]C 87921474 572744092 /nfs/dbraw/zinc/74/40/92/572744092.db2.gz AWNAZDAGQUYDGU-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCCC1 87921421 572744108 /nfs/dbraw/zinc/74/41/08/572744108.db2.gz QCAHRRWLWJPPIP-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1[C@H]1CCC[C@H]1C 70832062 572744125 /nfs/dbraw/zinc/74/41/25/572744125.db2.gz YAKKUQDOBPFKCZ-RHYQMDGZSA-N 2 0 196.338 1.987 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)CC1CC1 87922478 572744130 /nfs/dbraw/zinc/74/41/30/572744130.db2.gz BYKXNQADGXJWDW-NWDGAFQWSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H](C)C[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922176 572744152 /nfs/dbraw/zinc/74/41/52/572744152.db2.gz HWNQKFJVIVHMTP-IJLUTSLNSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923215 572744196 /nfs/dbraw/zinc/74/41/96/572744196.db2.gz AIDBOTMUIWDTEI-ZRUFSTJUSA-N 2 0 182.311 1.312 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)CC(C)C 87922146 572744223 /nfs/dbraw/zinc/74/42/23/572744223.db2.gz PXVQDNFKEYHPCV-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CCCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921639 572744249 /nfs/dbraw/zinc/74/42/49/572744249.db2.gz PTNUQDJNBXZMPN-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)CC[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922793 572744282 /nfs/dbraw/zinc/74/42/82/572744282.db2.gz YRENCJDSMVAKPE-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922505 572744313 /nfs/dbraw/zinc/74/43/13/572744313.db2.gz OGXSWHXEYMIUCA-IVZWLZJFSA-N 2 0 168.284 1.066 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)C[C@@H]1C[C@@H]1C 87923211 572744342 /nfs/dbraw/zinc/74/43/42/572744342.db2.gz XZBFEMJWBXTULW-WHOHXGKFSA-N 2 0 196.338 1.572 10 0 ADAERP CCCCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922190 572744385 /nfs/dbraw/zinc/74/43/85/572744385.db2.gz LHVAHFRNGXFUMY-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CCCC[N@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922632 572744411 /nfs/dbraw/zinc/74/44/11/572744411.db2.gz RFYYSTVDPWAQNO-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCC1 87921419 572744453 /nfs/dbraw/zinc/74/44/53/572744453.db2.gz QCAHRRWLWJPPIP-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP CCC[N@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922088 572747317 /nfs/dbraw/zinc/74/73/17/572747317.db2.gz VMXFUPKNUURMPI-GHMZBOCLSA-N 2 0 184.327 1.844 10 0 ADAERP CC[N@@H+](C1CCCC1)[C@H]1CC[C@@H]1C[NH3+] 87922245 572744489 /nfs/dbraw/zinc/74/44/89/572744489.db2.gz QTWISGNCXMVVKN-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP C[N@H+](CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922471 572744543 /nfs/dbraw/zinc/74/45/43/572744543.db2.gz HGZXQSHYOBEGDX-ZJUUUORDSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)[NH2+]C[C@H]1CC[C@H]1[NH+](C)C 87921808 572744571 /nfs/dbraw/zinc/74/45/71/572744571.db2.gz MRUQLEWRFQOAPR-NXEZZACHSA-N 2 0 170.300 1.325 10 0 ADAERP CCC[NH+](CCC)[C@@H]1CC[C@H]1C[NH3+] 87921617 572744634 /nfs/dbraw/zinc/74/46/34/572744634.db2.gz CTXYJBZSWBFRLO-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H]1CCC[C@H]1[N@H+](C)C1CC([NH3+])C1 307635479 572744645 /nfs/dbraw/zinc/74/46/45/572744645.db2.gz RSIJCXQMFDIJDE-HBIQZDMRSA-N 2 0 196.338 1.987 10 0 ADAERP C[NH+](C)[C@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87921798 572744650 /nfs/dbraw/zinc/74/46/50/572744650.db2.gz NNCPOTXAMTVYTD-ZJUUUORDSA-N 2 0 184.327 1.715 10 0 ADAERP C[N@H+](CC1CCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87923140 572744656 /nfs/dbraw/zinc/74/46/56/572744656.db2.gz ZPTZUWUZDAMJQF-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CC1CCC1 87922955 572744683 /nfs/dbraw/zinc/74/46/83/572744683.db2.gz ASCPGAFMYWFVIK-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]CC(C)C 87921988 572744699 /nfs/dbraw/zinc/74/46/99/572744699.db2.gz SGLDFNYKMCUDQJ-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[C@H]1[NH+](C)C 87921783 572744713 /nfs/dbraw/zinc/74/47/13/572744713.db2.gz INLYQZJSKQTWRR-WDEREUQCSA-N 2 0 184.327 1.572 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCC1 87921403 572744723 /nfs/dbraw/zinc/74/47/23/572744723.db2.gz WFZZNMYWDMQCAJ-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@H]1[NH+](C)C 87921787 572745409 /nfs/dbraw/zinc/74/54/09/572745409.db2.gz MXWREFRXUAPJNO-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP C[N@H+](C1CC1)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921959 572744770 /nfs/dbraw/zinc/74/47/70/572744770.db2.gz ANPYGJUMOLOAOP-SKDRFNHKSA-N 2 0 194.322 1.611 10 0 ADAERP C[C@H]1CCC[C@H]1[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 70832023 572744772 /nfs/dbraw/zinc/74/47/72/572744772.db2.gz LCMYDOZRTVITLL-WHOHXGKFSA-N 2 0 196.338 1.844 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CC(C)C 87922147 572744801 /nfs/dbraw/zinc/74/48/01/572744801.db2.gz PXVQDNFKEYHPCV-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[N@H+](CC)[C@H]1CC[C@@H]1C[NH3+] 87922043 572744820 /nfs/dbraw/zinc/74/48/20/572744820.db2.gz XAYVFJRLYZTLQG-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCCN(CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439260 572744870 /nfs/dbraw/zinc/74/48/70/572744870.db2.gz PUBWHBIUNMHUFR-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C1CCCC1 87921945 572744874 /nfs/dbraw/zinc/74/48/74/572744874.db2.gz SJYAUZLJWOFFJJ-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2C)CC1 70831962 572744876 /nfs/dbraw/zinc/74/48/76/572744876.db2.gz JLOPIACXCFITPC-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH+](C)[C@H]1CC[C@H]1C[NH2+]C1CC1 87921780 572744890 /nfs/dbraw/zinc/74/48/90/572744890.db2.gz HMVZOGQJXOQTPQ-WPRPVWTQSA-N 2 0 168.284 1.079 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCCC1 87921747 572744911 /nfs/dbraw/zinc/74/49/11/572744911.db2.gz BTXMNWBBWPISFI-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922351 572744917 /nfs/dbraw/zinc/74/49/17/572744917.db2.gz JSHNIAXITYIBEG-QJPTWQEYSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H](C[NH+]1CCCC1)N1CCCC1=[NH2+] 49184042 572744946 /nfs/dbraw/zinc/74/49/46/572744946.db2.gz OTAWHASSPAWACG-SNVBAGLBSA-N 2 0 195.310 1.544 10 0 ADAERP CCC(CC)[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922297 572744948 /nfs/dbraw/zinc/74/49/48/572744948.db2.gz OCERJEWFADMILT-KOLCDFICSA-N 2 0 184.327 1.844 10 0 ADAERP CC[N@H+](C(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922017 572744956 /nfs/dbraw/zinc/74/49/56/572744956.db2.gz OCWSHLIOIOSYOK-ZJUUUORDSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921500 572744971 /nfs/dbraw/zinc/74/49/71/572744971.db2.gz KGUAKBUUUXXYIF-HBNTYKKESA-N 2 0 182.311 1.598 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@H]1C[NH2+]C 87921473 572744986 /nfs/dbraw/zinc/74/49/86/572744986.db2.gz AWNAZDAGQUYDGU-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87921550 572745034 /nfs/dbraw/zinc/74/50/34/572745034.db2.gz AKMNIGANJSWNIB-HBNTYKKESA-N 2 0 182.311 1.456 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CC1CC1 87922469 572745055 /nfs/dbraw/zinc/74/50/55/572745055.db2.gz APDYKLSSIIJYAF-GHMZBOCLSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@@H+]1CC[C@@H](C)C1 87922502 572745093 /nfs/dbraw/zinc/74/50/93/572745093.db2.gz OETNBEQQAVFWJE-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP CC(C)C[N@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922659 572745135 /nfs/dbraw/zinc/74/51/35/572745135.db2.gz FGZJMMDEXUCVMJ-PWSUYJOCSA-N 2 0 196.338 1.844 10 0 ADAERP CC[N@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922119 572745212 /nfs/dbraw/zinc/74/52/12/572745212.db2.gz AQJOLIOJSOLIRP-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP CCC[N@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922059 572745235 /nfs/dbraw/zinc/74/52/35/572745235.db2.gz LHPUPGGXWFZLCE-KOLCDFICSA-N 2 0 182.311 1.598 10 0 ADAERP C1CC[NH+]([C@H]2CC[C@H]2C[NH2+]C2CC2)C1 87921398 572745261 /nfs/dbraw/zinc/74/52/61/572745261.db2.gz UZXQMVHQPJJKST-JQWIXIFHSA-N 2 0 194.322 1.613 10 0 ADAERP CCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]CC 87921933 572745281 /nfs/dbraw/zinc/74/52/81/572745281.db2.gz WMNFQIGZHCPPBB-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[NH+](CCC)[C@H]1CC[C@@H]1C[NH3+] 87921616 572745330 /nfs/dbraw/zinc/74/53/30/572745330.db2.gz CTXYJBZSWBFRLO-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)C(=[NH2+])N(C)C[C@@H]1CC[N@H+](C)C1 70823976 572745343 /nfs/dbraw/zinc/74/53/43/572745343.db2.gz MVHCERGARHGEFB-SNVBAGLBSA-N 2 0 197.326 1.503 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)CC(C)C 87922144 572745347 /nfs/dbraw/zinc/74/53/47/572745347.db2.gz PXVQDNFKEYHPCV-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[NH+](CC)CC 87921485 572745376 /nfs/dbraw/zinc/74/53/76/572745376.db2.gz XMKCATLVWILZQA-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CC(C)C 87922139 572745438 /nfs/dbraw/zinc/74/54/38/572745438.db2.gz NDDQQKQHICPFIA-MNOVXSKESA-N 2 0 184.327 1.572 10 0 ADAERP CCC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)C1CC1 87921967 572745507 /nfs/dbraw/zinc/74/55/07/572745507.db2.gz PVGCUKWITZREBT-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]1C 87921342 572745544 /nfs/dbraw/zinc/74/55/44/572745544.db2.gz JYDFFPCOOODIAD-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H](CC[NH3+])[NH2+]CC(C)(C)F 307907191 572745551 /nfs/dbraw/zinc/74/55/51/572745551.db2.gz SNESVXLCIWNNSY-ZETCQYMHSA-N 2 0 162.252 1.061 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@H]1[NH+]1CCCC1 87921422 572745577 /nfs/dbraw/zinc/74/55/77/572745577.db2.gz QCAHRRWLWJPPIP-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP CCC(CC)[NH2+]C/C=C\C[NH3+] 307906798 572745592 /nfs/dbraw/zinc/74/55/92/572745592.db2.gz WFUSKOVOXQSXDA-WAYWQWQTSA-N 2 0 156.273 1.280 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CCC(C)C 87922790 572745691 /nfs/dbraw/zinc/74/56/91/572745691.db2.gz AGIMSDUJCYBYKP-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]1CCC[C@@H]1[N@H+](C)C1CC([NH3+])C1 307635482 572745724 /nfs/dbraw/zinc/74/57/24/572745724.db2.gz RSIJCXQMFDIJDE-YYJSSNLHSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CC[C@H]1[NH+](C)C 87921807 572745731 /nfs/dbraw/zinc/74/57/31/572745731.db2.gz MRUQLEWRFQOAPR-VHSXEESVSA-N 2 0 170.300 1.325 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87921471 572745742 /nfs/dbraw/zinc/74/57/42/572745742.db2.gz AWNAZDAGQUYDGU-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)C(C)C 87921692 572745784 /nfs/dbraw/zinc/74/57/84/572745784.db2.gz BFUGARMZPZZERL-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH+](C)[C@@H]1CC[C@H]1C[NH2+]C(C)(C)C 87921799 572745809 /nfs/dbraw/zinc/74/58/09/572745809.db2.gz NNCPOTXAMTVYTD-VHSXEESVSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]CC(C)(C)F 307907185 572745814 /nfs/dbraw/zinc/74/58/14/572745814.db2.gz SNESVXLCIWNNSY-SSDOTTSWSA-N 2 0 162.252 1.061 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)C1CC1 87921978 572745815 /nfs/dbraw/zinc/74/58/15/572745815.db2.gz WTLVTLPEQQZZNI-ONGXEEELSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H]1[NH+](C)C 87921781 572745822 /nfs/dbraw/zinc/74/58/22/572745822.db2.gz INLYQZJSKQTWRR-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP C[NH+](C)[C@@H]1CC[C@H]1C[NH2+]C1CC1 87921779 572745851 /nfs/dbraw/zinc/74/58/51/572745851.db2.gz HMVZOGQJXOQTPQ-WCBMZHEXSA-N 2 0 168.284 1.079 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[NH+](CC)CC 87921483 572745905 /nfs/dbraw/zinc/74/59/05/572745905.db2.gz XMKCATLVWILZQA-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87922103 572745913 /nfs/dbraw/zinc/74/59/13/572745913.db2.gz YDWPGWLXGDMDII-HBNTYKKESA-N 2 0 184.327 1.844 10 0 ADAERP CCC[NH+](CCC)[C@@H]1CC[C@@H]1C[NH3+] 87921615 572745920 /nfs/dbraw/zinc/74/59/20/572745920.db2.gz CTXYJBZSWBFRLO-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921987 572745947 /nfs/dbraw/zinc/74/59/47/572745947.db2.gz KGCBOBUWIIQGOQ-KOLCDFICSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87923232 572745960 /nfs/dbraw/zinc/74/59/60/572745960.db2.gz LENKLMAROBOGEG-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2C)CC[C@@H]1[NH3+] 70832020 572745970 /nfs/dbraw/zinc/74/59/70/572745970.db2.gz LCMYDOZRTVITLL-WISYIIOYSA-N 2 0 196.338 1.844 10 0 ADAERP C[N@H+](CC1CCC1)[C@H]1CC[C@@H]1C[NH3+] 87922957 572745978 /nfs/dbraw/zinc/74/59/78/572745978.db2.gz NBNMQYWIXIZHAV-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921911 572746012 /nfs/dbraw/zinc/74/60/12/572746012.db2.gz XYXZLWUJOYLKSQ-IVZWLZJFSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87922029 572746047 /nfs/dbraw/zinc/74/60/47/572746047.db2.gz YCXKSALNNBRQGW-GRYCIOLGSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921926 572746093 /nfs/dbraw/zinc/74/60/93/572746093.db2.gz HWRUUZRCXUADTN-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)CC1CC1 87922466 572746113 /nfs/dbraw/zinc/74/61/13/572746113.db2.gz APDYKLSSIIJYAF-QWRGUYRKSA-N 2 0 182.311 1.326 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)C1CC1 87921964 572746146 /nfs/dbraw/zinc/74/61/46/572746146.db2.gz PVGCUKWITZREBT-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CCC(CC)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922296 572747358 /nfs/dbraw/zinc/74/73/58/572747358.db2.gz OCERJEWFADMILT-MWLCHTKSSA-N 2 0 184.327 1.844 10 0 ADAERP CC[N@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH2+]C 87922014 572746196 /nfs/dbraw/zinc/74/61/96/572746196.db2.gz MIRXVCWVJAXXPJ-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2C)CC1 70831961 572746242 /nfs/dbraw/zinc/74/62/42/572746242.db2.gz JLOPIACXCFITPC-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87922004 572746322 /nfs/dbraw/zinc/74/63/22/572746322.db2.gz XLCLATLKRCGCTK-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CC[C@H]1[NH+](C)C 87921784 572746315 /nfs/dbraw/zinc/74/63/15/572746315.db2.gz INLYQZJSKQTWRR-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)C(C)C 87921690 572746361 /nfs/dbraw/zinc/74/63/61/572746361.db2.gz BFUGARMZPZZERL-MNOVXSKESA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2C)CC1 70831957 572746371 /nfs/dbraw/zinc/74/63/71/572746371.db2.gz JLOPIACXCFITPC-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]CC(C)C 87921989 572746378 /nfs/dbraw/zinc/74/63/78/572746378.db2.gz SGLDFNYKMCUDQJ-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCC1 87921423 572746392 /nfs/dbraw/zinc/74/63/92/572746392.db2.gz YGZGXNCVOJWFQV-RYUDHWBXSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922311 572746399 /nfs/dbraw/zinc/74/63/99/572746399.db2.gz NFJBCUCAVNNXKH-HBNTYKKESA-N 2 0 184.327 1.700 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@H]1C[NH2+]C1CC1 87921461 572746425 /nfs/dbraw/zinc/74/64/25/572746425.db2.gz ONUQHIPNJGLQTK-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCCC1 87921404 572746492 /nfs/dbraw/zinc/74/64/92/572746492.db2.gz WFZZNMYWDMQCAJ-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+](CC)C1CC1 87922123 572747369 /nfs/dbraw/zinc/74/73/69/572747369.db2.gz QFUCNMQEDXLOJZ-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CC 87922001 572746503 /nfs/dbraw/zinc/74/65/03/572746503.db2.gz WAXGKUQERSAFFM-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)CC 87922002 572746547 /nfs/dbraw/zinc/74/65/47/572746547.db2.gz WAXGKUQERSAFFM-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP C[N@H+](CC(C)(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922841 572746559 /nfs/dbraw/zinc/74/65/59/572746559.db2.gz JPSYBLDAIFVCTK-ZJUUUORDSA-N 2 0 184.327 1.702 10 0 ADAERP CCC[N@H+](C(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922089 572746606 /nfs/dbraw/zinc/74/66/06/572746606.db2.gz VMXFUPKNUURMPI-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H]1C 87921343 572746586 /nfs/dbraw/zinc/74/65/86/572746586.db2.gz JYDFFPCOOODIAD-SDDRHHMPSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@@H+]1CCC[C@H](N2CCCC2=[NH2+])C1 49217064 572746635 /nfs/dbraw/zinc/74/66/35/572746635.db2.gz HEBCFJRTKNDDAL-JTQLQIEISA-N 2 0 195.310 1.544 10 0 ADAERP C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87923131 572746638 /nfs/dbraw/zinc/74/66/38/572746638.db2.gz QKCSRMRAFZUSNY-QJPTWQEYSA-N 2 0 196.338 1.846 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CC1CC1 87922477 572746656 /nfs/dbraw/zinc/74/66/56/572746656.db2.gz BYKXNQADGXJWDW-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]1C 87921341 572746677 /nfs/dbraw/zinc/74/66/77/572746677.db2.gz JYDFFPCOOODIAD-SRVKXCTJSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+]1CC[C@H](C)C1 87922510 572746696 /nfs/dbraw/zinc/74/66/96/572746696.db2.gz DDBJGNSIMFIBBW-SDDRHHMPSA-N 2 0 196.338 1.716 10 0 ADAERP CCCC[N@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87921655 572747379 /nfs/dbraw/zinc/74/73/79/572747379.db2.gz NDKOSTXWTBWVSX-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921918 572746711 /nfs/dbraw/zinc/74/67/11/572746711.db2.gz XEGMLTJLDCMKMM-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP CCC(C)(C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923248 572746732 /nfs/dbraw/zinc/74/67/32/572746732.db2.gz MKKSCAXRVMDQFV-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH2+]C 87921319 572746763 /nfs/dbraw/zinc/74/67/63/572746763.db2.gz OPICEUJSLWJOPL-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CC 87921991 572746782 /nfs/dbraw/zinc/74/67/82/572746782.db2.gz PIZUSNWEDPGYQO-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH2+]C 87921320 572746813 /nfs/dbraw/zinc/74/68/13/572746813.db2.gz OPICEUJSLWJOPL-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH+](C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921777 572746867 /nfs/dbraw/zinc/74/68/67/572746867.db2.gz HMVZOGQJXOQTPQ-PSASIEDQSA-N 2 0 168.284 1.079 10 0 ADAERP C[N@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921958 572746901 /nfs/dbraw/zinc/74/69/01/572746901.db2.gz ANPYGJUMOLOAOP-BXKDBHETSA-N 2 0 194.322 1.611 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CC(C)C 87922138 572746941 /nfs/dbraw/zinc/74/69/41/572746941.db2.gz NDDQQKQHICPFIA-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP CC[N@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87922116 572746977 /nfs/dbraw/zinc/74/69/77/572746977.db2.gz SHCNLEBFMYJGTL-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)CC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922792 572747014 /nfs/dbraw/zinc/74/70/14/572747014.db2.gz YRENCJDSMVAKPE-GHMZBOCLSA-N 2 0 184.327 1.702 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)CC 87921990 572747038 /nfs/dbraw/zinc/74/70/38/572747038.db2.gz PIZUSNWEDPGYQO-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)[C@@H](C)C(C)C 87922309 572747075 /nfs/dbraw/zinc/74/70/75/572747075.db2.gz QGZKWGIETCTWIE-QJPTWQEYSA-N 2 0 198.354 1.961 10 0 ADAERP CCC[N@H+](C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921919 572747119 /nfs/dbraw/zinc/74/71/19/572747119.db2.gz XEGMLTJLDCMKMM-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[NH+](CCC)[C@H]1CC[C@H]1C[NH3+] 87921618 572747143 /nfs/dbraw/zinc/74/71/43/572747143.db2.gz CTXYJBZSWBFRLO-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87923230 572747157 /nfs/dbraw/zinc/74/71/57/572747157.db2.gz LHOHTGWZQKQMJT-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H]([NH3+])C[NH2+]CCCCF 307902419 572747201 /nfs/dbraw/zinc/74/72/01/572747201.db2.gz OKPKXEFLMMOTJG-QMMMGPOBSA-N 2 0 162.252 1.063 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CC1CC1 87922479 572747224 /nfs/dbraw/zinc/74/72/24/572747224.db2.gz BYKXNQADGXJWDW-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@H+](CC1CC1)[C@H]1CC[C@@H]1C[NH2+]C 87923231 572747245 /nfs/dbraw/zinc/74/72/45/572747245.db2.gz LHOHTGWZQKQMJT-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CC(C)(C)C 87922839 572747463 /nfs/dbraw/zinc/74/74/63/572747463.db2.gz CIRFUVCCOZXYSN-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP [NH3+]CC1CC[NH+](COCC2CC2)CC1 236195855 572747547 /nfs/dbraw/zinc/74/75/47/572747547.db2.gz XHMDDTWSNWRIQB-UHFFFAOYSA-N 2 0 198.310 1.041 10 0 ADAERP C[N@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922470 572747578 /nfs/dbraw/zinc/74/75/78/572747578.db2.gz HGZXQSHYOBEGDX-NXEZZACHSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922310 572747609 /nfs/dbraw/zinc/74/76/09/572747609.db2.gz NFJBCUCAVNNXKH-GMTAPVOTSA-N 2 0 184.327 1.700 10 0 ADAERP CCC[N@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922646 572747639 /nfs/dbraw/zinc/74/76/39/572747639.db2.gz JAPRCMCKFCSSRP-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP CCCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921641 572747687 /nfs/dbraw/zinc/74/76/87/572747687.db2.gz ZYYGIZYFAYJDLO-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCCC[N@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922633 572747710 /nfs/dbraw/zinc/74/77/10/572747710.db2.gz RFYYSTVDPWAQNO-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 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184.327 1.764 10 0 ADAERP CC(C)[NH2+]C[C@]1([NH3+])CCC[C@@H](C)C1 70905824 572753310 /nfs/dbraw/zinc/75/33/10/572753310.db2.gz YMJHIWBDKKSMRL-MNOVXSKESA-N 2 0 184.327 1.892 10 0 ADAERP Cc1cc(OCC(C)(C)[NH3+])cc(C)[nH+]1 307636969 572753543 /nfs/dbraw/zinc/75/35/43/572753543.db2.gz VQEBZDJFHFRAGP-UHFFFAOYSA-N 2 0 194.278 1.815 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]C[C@@]1([NH3+])CCC[C@@H](C)C1 70906268 572753554 /nfs/dbraw/zinc/75/35/54/572753554.db2.gz SFANRDACFACDKU-WRWGMCAJSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@](C)(C[NH3+])Nc1cc[nH+]cc1 70895073 572754270 /nfs/dbraw/zinc/75/42/70/572754270.db2.gz RMKKASNOVMCASR-SNVBAGLBSA-N 2 0 179.267 1.621 10 0 ADAERP CC[NH2+]C[C@]1([NH3+])CCC[C@H](C)C1 70905953 572754014 /nfs/dbraw/zinc/75/40/14/572754014.db2.gz JKRCPMCJXYROTQ-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)[NH2+]C[C@@]1([NH3+])CCC[C@H](C)C1 70905821 572754403 /nfs/dbraw/zinc/75/44/03/572754403.db2.gz YMJHIWBDKKSMRL-WDEREUQCSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 223104830 572755171 /nfs/dbraw/zinc/75/51/71/572755171.db2.gz VWFMTMIXFPOEFB-HBNTYKKESA-N 2 0 182.311 1.741 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@H]1CCCS1 308114770 572755319 /nfs/dbraw/zinc/75/53/19/572755319.db2.gz LYAAAJKTXFTJQU-DJLDLDEBSA-N 2 0 188.340 1.207 10 0 ADAERP CCC1(C[NH2+][C@@H](C)[C@H](C)[NH3+])CC1 308113134 572755541 /nfs/dbraw/zinc/75/55/41/572755541.db2.gz LCTODXVSVFBRGL-IUCAKERBSA-N 2 0 170.300 1.502 10 0 ADAERP CCCCCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 308114827 572755931 /nfs/dbraw/zinc/75/59/31/572755931.db2.gz LZDURYNLDKYFHP-ZJUUUORDSA-N 2 0 172.316 1.892 10 0 ADAERP CCCCCC[NH2+][C@@H](C)[C@H](C)[NH3+] 308114824 572755952 /nfs/dbraw/zinc/75/59/52/572755952.db2.gz LZDURYNLDKYFHP-UWVGGRQHSA-N 2 0 172.316 1.892 10 0 ADAERP CCC1(C[NH2+][C@H](C)[C@@H](C)[NH3+])CC1 308113140 572756117 /nfs/dbraw/zinc/75/61/17/572756117.db2.gz LCTODXVSVFBRGL-RKDXNWHRSA-N 2 0 170.300 1.502 10 0 ADAERP CCCCCC[NH2+][C@H](C)[C@@H](C)[NH3+] 308114822 572756343 /nfs/dbraw/zinc/75/63/43/572756343.db2.gz LZDURYNLDKYFHP-NXEZZACHSA-N 2 0 172.316 1.892 10 0 ADAERP C[C@H](C[NH3+])C[NH2+]C(C)(C)C1CC1 308113452 572756433 /nfs/dbraw/zinc/75/64/33/572756433.db2.gz LHMFKRPHFCWZPY-MRVPVSSYSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@@H]1CCCS1 308114774 572756859 /nfs/dbraw/zinc/75/68/59/572756859.db2.gz LYAAAJKTXFTJQU-YIZRAAEISA-N 2 0 188.340 1.207 10 0 ADAERP CCCCCC[NH2+][C@H](C)[C@H](C)[NH3+] 308114825 572756963 /nfs/dbraw/zinc/75/69/63/572756963.db2.gz LZDURYNLDKYFHP-VHSXEESVSA-N 2 0 172.316 1.892 10 0 ADAERP CCC1(C[NH2+][C@H](C)[C@H](C)[NH3+])CC1 308113128 572757074 /nfs/dbraw/zinc/75/70/74/572757074.db2.gz LCTODXVSVFBRGL-DTWKUNHWSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1CCCS1 308114768 572757431 /nfs/dbraw/zinc/75/74/31/572757431.db2.gz LYAAAJKTXFTJQU-CIUDSAMLSA-N 2 0 188.340 1.207 10 0 ADAERP [NH3+]C1(C[NH2+]CC2(C3CC3)CC2)CC1 236209263 572758220 /nfs/dbraw/zinc/75/82/20/572758220.db2.gz QSBWGNWFJMRFST-UHFFFAOYSA-N 2 0 180.295 1.258 10 0 ADAERP CC(C)(C)[NH2+]Cc1csc(C[NH3+])n1 85545860 572758242 /nfs/dbraw/zinc/75/82/42/572758242.db2.gz KDWGHUBPMXXNRI-UHFFFAOYSA-N 2 0 199.323 1.490 10 0 ADAERP [NH3+]C1(C[NH2+]CC2(C3CC3)CC2)CCC1 236209367 572758307 /nfs/dbraw/zinc/75/83/07/572758307.db2.gz KBBFRORKWSTQRV-UHFFFAOYSA-N 2 0 194.322 1.648 10 0 ADAERP CC(C)[NH2+]Cc1csc(C[NH3+])n1 85545866 572758314 /nfs/dbraw/zinc/75/83/14/572758314.db2.gz SYXOCYMFXSUFED-UHFFFAOYSA-N 2 0 185.296 1.100 10 0 ADAERP [NH3+]CCCC[NH2+]CC1(C2CC2)CC1 236208917 572758374 /nfs/dbraw/zinc/75/83/74/572758374.db2.gz OKCCFVYIXVSWRK-UHFFFAOYSA-N 2 0 182.311 1.505 10 0 ADAERP CC(C)C[NH2+]C[C@H](C)[C@@H](C)[NH+](C)C 87947124 572758495 /nfs/dbraw/zinc/75/84/95/572758495.db2.gz MBSKDRCCCNGFRU-WDEREUQCSA-N 2 0 186.343 1.818 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H](C)[NH+](C)C 87947136 572758557 /nfs/dbraw/zinc/75/85/57/572758557.db2.gz LEPSJMGGHYQQOI-BDAKNGLRSA-N 2 0 158.289 1.182 10 0 ADAERP CC[NH2+]C[C@H](C)[C@H](C)[N@H+](C)CC 87947236 572758534 /nfs/dbraw/zinc/75/85/34/572758534.db2.gz RZDUYUBPUBNSGV-UWVGGRQHSA-N 2 0 172.316 1.572 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)C1CC1 87947217 572758663 /nfs/dbraw/zinc/75/86/63/572758663.db2.gz FALPGVIHTQUZTD-VHSXEESVSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)C[NH2+]Cc1csc(C[NH3+])n1 85545887 572758688 /nfs/dbraw/zinc/75/86/88/572758688.db2.gz XZRCPPHFONMGCY-UHFFFAOYSA-N 2 0 199.323 1.347 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)CC 87947234 572758820 /nfs/dbraw/zinc/75/88/20/572758820.db2.gz RZDUYUBPUBNSGV-ZJUUUORDSA-N 2 0 172.316 1.572 10 0 ADAERP CCC[N@H+](C)[C@@H](C)[C@@H](C)C[NH2+]CC 87947197 572759121 /nfs/dbraw/zinc/75/91/21/572759121.db2.gz TVMFRSHPDYYVQK-QWRGUYRKSA-N 2 0 186.343 1.962 10 0 ADAERP CCC[N@H+](C)[C@H](C)[C@@H](C)C[NH2+]CC 87947198 572759147 /nfs/dbraw/zinc/75/91/47/572759147.db2.gz TVMFRSHPDYYVQK-WDEREUQCSA-N 2 0 186.343 1.962 10 0 ADAERP CCC[NH2+]C[C@H]([NH3+])CC1CC1 307921475 572759174 /nfs/dbraw/zinc/75/91/74/572759174.db2.gz LQXYGCPXTBZIIR-SECBINFHSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CC=CCC1 308115949 572759237 /nfs/dbraw/zinc/75/92/37/572759237.db2.gz MOBSZTCGBVDDLT-NXEZZACHSA-N 2 0 168.284 1.280 10 0 ADAERP CC[C@H]1CC[N@H+](C/C=C\C[NH3+])C1 307923478 572759242 /nfs/dbraw/zinc/75/92/42/572759242.db2.gz LWBYSPJZRXIYCH-XOULXFPDSA-N 2 0 168.284 1.233 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)C(C)C 87947080 572759252 /nfs/dbraw/zinc/75/92/52/572759252.db2.gz FUKJSLLJSKWFFB-GHMZBOCLSA-N 2 0 186.343 1.961 10 0 ADAERP CC(C)C[NH2+]C[C@H](C)[C@H](C)[NH+](C)C 87947129 572759406 /nfs/dbraw/zinc/75/94/06/572759406.db2.gz MBSKDRCCCNGFRU-QWRGUYRKSA-N 2 0 186.343 1.818 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCCC1 87946944 572759486 /nfs/dbraw/zinc/75/94/86/572759486.db2.gz XZBAQHQCQQGOFO-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@@H](C)[NH+](C)C 87947131 572759512 /nfs/dbraw/zinc/75/95/12/572759512.db2.gz LEPSJMGGHYQQOI-RKDXNWHRSA-N 2 0 158.289 1.182 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)C1CC1 87947220 572759647 /nfs/dbraw/zinc/75/96/47/572759647.db2.gz FALPGVIHTQUZTD-ZJUUUORDSA-N 2 0 184.327 1.715 10 0 ADAERP CC[C@H](C)[NH2+]Cc1csc(C[NH3+])n1 85545879 572759659 /nfs/dbraw/zinc/75/96/59/572759659.db2.gz CBDLAZZAENNVHL-ZETCQYMHSA-N 2 0 199.323 1.490 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)CC1CC1 87947614 572759742 /nfs/dbraw/zinc/75/97/42/572759742.db2.gz QTSAGRQMQOSQDC-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@H]1CC=CCC1 308115950 572759749 /nfs/dbraw/zinc/75/97/49/572759749.db2.gz MOBSZTCGBVDDLT-UWVGGRQHSA-N 2 0 168.284 1.280 10 0 ADAERP C[C@H](C[NH3+])C[NH2+][C@H]1CC=CCC1 308115952 572759759 /nfs/dbraw/zinc/75/97/59/572759759.db2.gz MOBSZTCGBVDDLT-ZJUUUORDSA-N 2 0 168.284 1.280 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)CC 87947232 572759995 /nfs/dbraw/zinc/75/99/95/572759995.db2.gz RZDUYUBPUBNSGV-VHSXEESVSA-N 2 0 172.316 1.572 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)CC 87947230 572760094 /nfs/dbraw/zinc/76/00/94/572760094.db2.gz RZDUYUBPUBNSGV-NXEZZACHSA-N 2 0 172.316 1.572 10 0 ADAERP CC[NH2+]C[C@H](C)[C@H](C)[NH+]1CCCC1 87946949 572760142 /nfs/dbraw/zinc/76/01/42/572760142.db2.gz XZBAQHQCQQGOFO-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C1CC1 87947223 572760181 /nfs/dbraw/zinc/76/01/81/572760181.db2.gz FALPGVIHTQUZTD-UWVGGRQHSA-N 2 0 184.327 1.715 10 0 ADAERP [NH3+]Cc1nc(C[NH2+]CC2CC2)cs1 85545904 572760464 /nfs/dbraw/zinc/76/04/64/572760464.db2.gz WHAKIZNPRHLMFM-UHFFFAOYSA-N 2 0 197.307 1.101 10 0 ADAERP CC(C)C[NH2+]C[C@@H](C)[C@H](C)[NH+](C)C 87947126 572760489 /nfs/dbraw/zinc/76/04/89/572760489.db2.gz MBSKDRCCCNGFRU-MNOVXSKESA-N 2 0 186.343 1.818 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@@H]1CC=CCC1 308115951 572760493 /nfs/dbraw/zinc/76/04/93/572760493.db2.gz MOBSZTCGBVDDLT-VHSXEESVSA-N 2 0 168.284 1.280 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)CC1CC1 87947611 572760506 /nfs/dbraw/zinc/76/05/06/572760506.db2.gz QTSAGRQMQOSQDC-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)C(C)C 87947082 572760661 /nfs/dbraw/zinc/76/06/61/572760661.db2.gz FUKJSLLJSKWFFB-WDEREUQCSA-N 2 0 186.343 1.961 10 0 ADAERP CC[C@@H](C)[NH2+]Cc1csc(C[NH3+])n1 85545875 572760678 /nfs/dbraw/zinc/76/06/78/572760678.db2.gz CBDLAZZAENNVHL-SSDOTTSWSA-N 2 0 199.323 1.490 10 0 ADAERP CC[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C(C)C 87947088 572760708 /nfs/dbraw/zinc/76/07/08/572760708.db2.gz FUKJSLLJSKWFFB-QWRGUYRKSA-N 2 0 186.343 1.961 10 0 ADAERP CC[C@@H]1CC[N@H+](C/C=C\C[NH3+])C1 307923477 572760719 /nfs/dbraw/zinc/76/07/19/572760719.db2.gz LWBYSPJZRXIYCH-UMBAGQNISA-N 2 0 168.284 1.233 10 0 ADAERP CCC[NH2+]C[C@@H]([NH3+])CC1CC1 307921476 572761026 /nfs/dbraw/zinc/76/10/26/572761026.db2.gz LQXYGCPXTBZIIR-VIFPVBQESA-N 2 0 156.273 1.113 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[NH+](CC)CC 87946979 572760861 /nfs/dbraw/zinc/76/08/61/572760861.db2.gz PIYURTCQCPUDMZ-WDEREUQCSA-N 2 0 186.343 1.962 10 0 ADAERP CC(C)[C@H]([NH3+])/C=C\[C@@H]([NH3+])C(C)C 307912265 572760902 /nfs/dbraw/zinc/76/09/02/572760902.db2.gz ILXUTXODYRYRCZ-KWMOZEJZSA-N 2 0 170.300 1.509 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[NH+](C)C 87947134 572760905 /nfs/dbraw/zinc/76/09/05/572760905.db2.gz LEPSJMGGHYQQOI-DTWKUNHWSA-N 2 0 158.289 1.182 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCCC1 87946947 572760913 /nfs/dbraw/zinc/76/09/13/572760913.db2.gz XZBAQHQCQQGOFO-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@@H](C)[NH+](CC)CC 87946977 572760948 /nfs/dbraw/zinc/76/09/48/572760948.db2.gz PIYURTCQCPUDMZ-GHMZBOCLSA-N 2 0 186.343 1.962 10 0 ADAERP CC[NH2+]C[C@H](C)[C@H](C)[N@H+](C)CC1CC1 87947616 572760979 /nfs/dbraw/zinc/76/09/79/572760979.db2.gz QTSAGRQMQOSQDC-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]C[C@@H](C)[C@H](C)[NH+](CC)CC 87946982 572761037 /nfs/dbraw/zinc/76/10/37/572761037.db2.gz PIYURTCQCPUDMZ-MNOVXSKESA-N 2 0 186.343 1.962 10 0 ADAERP CC(C)C[NH2+]C[C@@H](C)[C@@H](C)[NH+](C)C 87947121 572761130 /nfs/dbraw/zinc/76/11/30/572761130.db2.gz MBSKDRCCCNGFRU-GHMZBOCLSA-N 2 0 186.343 1.818 10 0 ADAERP CC[NH2+]C[C@H](C)[C@@H](C)[N@@H+]1CC[C@H](C)C1 87947647 572761178 /nfs/dbraw/zinc/76/11/78/572761178.db2.gz SODAQELXQUWUFR-SDDRHHMPSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]C[C@H](C)[C@H](C)[NH+](CC)CC 87946984 572761191 /nfs/dbraw/zinc/76/11/91/572761191.db2.gz PIYURTCQCPUDMZ-QWRGUYRKSA-N 2 0 186.343 1.962 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1C 393538186 572761223 /nfs/dbraw/zinc/76/12/23/572761223.db2.gz MMJRPYCWLQAITP-QWRGUYRKSA-N 2 0 184.327 1.478 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]Cc1csc(C[NH3+])n1 85546021 572761402 /nfs/dbraw/zinc/76/14/02/572761402.db2.gz HFXXEFJXQPFWBZ-SVRRBLITSA-N 2 0 197.307 1.100 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]Cc1csc(C[NH3+])n1 85546025 572761699 /nfs/dbraw/zinc/76/16/99/572761699.db2.gz HFXXEFJXQPFWBZ-XPUUQOCRSA-N 2 0 197.307 1.100 10 0 ADAERP CC(C)CC[NH2+][C@H](C)CCC[NH3+] 308121091 572761854 /nfs/dbraw/zinc/76/18/54/572761854.db2.gz PVQQQMQPSOWZCZ-SNVBAGLBSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[NH2+]Cc1csc(CC[NH3+])n1 85550002 572761856 /nfs/dbraw/zinc/76/18/56/572761856.db2.gz KOTREZLTNHYCFQ-UHFFFAOYSA-N 2 0 199.323 1.144 10 0 ADAERP Nc1ccccc1C[NH2+]CCCC[NH3+] 85573195 572762667 /nfs/dbraw/zinc/76/26/67/572762667.db2.gz HZXBUMXZIQIOOE-UHFFFAOYSA-N 2 0 193.294 1.097 10 0 ADAERP C[C@@H](CC[NH3+])CCC[NH+]1CCC1 308121130 572761942 /nfs/dbraw/zinc/76/19/42/572761942.db2.gz PYVNPGPTNVUBTM-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)CC[NH2+][C@@H](C)CCC[NH3+] 308121090 572761945 /nfs/dbraw/zinc/76/19/45/572761945.db2.gz PVQQQMQPSOWZCZ-JTQLQIEISA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@@H](C)N(CC[NH3+])CCF 307913498 572762004 /nfs/dbraw/zinc/76/20/04/572762004.db2.gz ZGQYIKALHRCMOP-MRVPVSSYSA-N 2 0 162.252 1.015 10 0 ADAERP C[C@H]([NH3+])CSC[C@@H]1CC[C@H]([NH3+])C1 308111649 572762161 /nfs/dbraw/zinc/76/21/61/572762161.db2.gz KLDBHBKJOGYQET-YIZRAAEISA-N 2 0 188.340 1.194 10 0 ADAERP CCN(C)C[C@H]([NH3+])CC1CC1 307914329 572762417 /nfs/dbraw/zinc/76/24/17/572762417.db2.gz AUTHOSXBWPUGCX-SECBINFHSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)SCC[NH2+][C@H](C)[C@H](C)[NH3+] 308121047 572762550 /nfs/dbraw/zinc/76/25/50/572762550.db2.gz PTGCJYCEVPEWFU-DTWKUNHWSA-N 2 0 190.356 1.453 10 0 ADAERP [NH3+]CCC[NH2+]C[C@H]1Cc2ccccc21 85574117 572763557 /nfs/dbraw/zinc/76/35/57/572763557.db2.gz GUURCGSHEJPOBF-LLVKDONJSA-N 2 0 190.290 1.265 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]Cc1csc(C[NH3+])n1 85546035 572762923 /nfs/dbraw/zinc/76/29/23/572762923.db2.gz HFXXEFJXQPFWBZ-POYBYMJQSA-N 2 0 197.307 1.100 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)CCCCF 308127476 572762967 /nfs/dbraw/zinc/76/29/67/572762967.db2.gz VZBCNZPHCFHZHH-SECBINFHSA-N 2 0 176.279 1.405 10 0 ADAERP CC(C)SCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 308121046 572763139 /nfs/dbraw/zinc/76/31/39/572763139.db2.gz PTGCJYCEVPEWFU-BDAKNGLRSA-N 2 0 190.356 1.453 10 0 ADAERP C[C@H](CCC[NH3+])[NH2+]CC1CC1 307913558 572763264 /nfs/dbraw/zinc/76/32/64/572763264.db2.gz ZNKUDTHBGKUYGH-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H](CCC[NH3+])[NH2+]CC1CC1 307913559 572763463 /nfs/dbraw/zinc/76/34/63/572763463.db2.gz ZNKUDTHBGKUYGH-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP CC(C)[NH2+]Cc1csc(CC[NH3+])n1 85550023 572763327 /nfs/dbraw/zinc/76/33/27/572763327.db2.gz NQOPRZICAOJOAV-UHFFFAOYSA-N 2 0 199.323 1.142 10 0 ADAERP Nc1ccsc1C[NH2+]CCCC[NH3+] 85572146 572763493 /nfs/dbraw/zinc/76/34/93/572763493.db2.gz XIKRDKNNHCSTJV-UHFFFAOYSA-N 2 0 199.323 1.159 10 0 ADAERP CC(C)SCC[NH2+][C@@H](C)[C@H](C)[NH3+] 308121048 572763499 /nfs/dbraw/zinc/76/34/99/572763499.db2.gz PTGCJYCEVPEWFU-IUCAKERBSA-N 2 0 190.356 1.453 10 0 ADAERP C[C@H]([NH3+])CSC[C@H]1CC[C@@H]([NH3+])C1 308111648 572763587 /nfs/dbraw/zinc/76/35/87/572763587.db2.gz KLDBHBKJOGYQET-XHNCKOQMSA-N 2 0 188.340 1.194 10 0 ADAERP C[C@H](CC[NH3+])CCC[NH+]1CCC1 308121129 572763784 /nfs/dbraw/zinc/76/37/84/572763784.db2.gz PYVNPGPTNVUBTM-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP CCN(C)Cc1csc([C@H](C)[NH3+])n1 85549574 572763887 /nfs/dbraw/zinc/76/38/87/572763887.db2.gz JTPTXESQPJITPA-ZETCQYMHSA-N 2 0 199.323 1.615 10 0 ADAERP CC[C@H](C)N(CC[NH3+])CCF 307913499 572764011 /nfs/dbraw/zinc/76/40/11/572764011.db2.gz ZGQYIKALHRCMOP-QMMMGPOBSA-N 2 0 162.252 1.015 10 0 ADAERP CC[NH2+]Cc1cccn1CC[NH+](C)C 85583453 572766588 /nfs/dbraw/zinc/76/65/88/572766588.db2.gz DWVXKMCUOIRGNO-UHFFFAOYSA-N 2 0 195.310 1.159 10 0 ADAERP CC(C)SCC[NH2+][C@H](C)[C@@H](C)[NH3+] 308121049 572764551 /nfs/dbraw/zinc/76/45/51/572764551.db2.gz PTGCJYCEVPEWFU-RKDXNWHRSA-N 2 0 190.356 1.453 10 0 ADAERP CCN(C)Cc1csc(CC[NH3+])n1 85549578 572764673 /nfs/dbraw/zinc/76/46/73/572764673.db2.gz MEMQSHGEEOQSAG-UHFFFAOYSA-N 2 0 199.323 1.096 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)CCCCF 308127477 572764897 /nfs/dbraw/zinc/76/48/97/572764897.db2.gz VZBCNZPHCFHZHH-VIFPVBQESA-N 2 0 176.279 1.405 10 0 ADAERP [NH3+]C[C@H]1CC[N@H+](CC2(C3CC3)CC2)C1 236215107 572764950 /nfs/dbraw/zinc/76/49/50/572764950.db2.gz LBZSHVRIIWPMLB-SNVBAGLBSA-N 2 0 194.322 1.457 10 0 ADAERP [NH3+]CCC[NH2+]C[C@@H]1Cc2ccccc21 85574121 572764971 /nfs/dbraw/zinc/76/49/71/572764971.db2.gz GUURCGSHEJPOBF-NSHDSACASA-N 2 0 190.290 1.265 10 0 ADAERP CCCC[NH2+]Cc1csc(C[NH3+])n1 85545911 572765117 /nfs/dbraw/zinc/76/51/17/572765117.db2.gz QYEFSEWZWZQNDW-UHFFFAOYSA-N 2 0 199.323 1.492 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C 308123269 572765255 /nfs/dbraw/zinc/76/52/55/572765255.db2.gz SHWZLRVASWJMDH-NXEZZACHSA-N 2 0 172.316 1.572 10 0 ADAERP CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C 307915034 572766686 /nfs/dbraw/zinc/76/66/86/572766686.db2.gz QJRYKHIRCWLNHH-UWVGGRQHSA-N 2 0 184.327 1.905 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C 307915035 572765728 /nfs/dbraw/zinc/76/57/28/572765728.db2.gz QJRYKHIRCWLNHH-VHSXEESVSA-N 2 0 184.327 1.905 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C 308123270 572765822 /nfs/dbraw/zinc/76/58/22/572765822.db2.gz SHWZLRVASWJMDH-UWVGGRQHSA-N 2 0 172.316 1.572 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 85579314 572765927 /nfs/dbraw/zinc/76/59/27/572765927.db2.gz BHBRCZWFBQMIKM-NSHDSACASA-N 2 0 193.294 1.056 10 0 ADAERP CC[NH2+]Cc1ccn(CC[NH+](C)C)c1 85585263 572765949 /nfs/dbraw/zinc/76/59/49/572765949.db2.gz QVHIQOAPHRSXED-UHFFFAOYSA-N 2 0 195.310 1.159 10 0 ADAERP CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C 307915033 572766164 /nfs/dbraw/zinc/76/61/64/572766164.db2.gz QJRYKHIRCWLNHH-NXEZZACHSA-N 2 0 184.327 1.905 10 0 ADAERP CCSCCC[NH2+][C@H](C)[C@@H](C)[NH3+] 308123328 572766848 /nfs/dbraw/zinc/76/68/48/572766848.db2.gz SKCLSGDOPPLCAK-RKDXNWHRSA-N 2 0 190.356 1.455 10 0 ADAERP CCSCCC[NH2+][C@H](C)[C@H](C)[NH3+] 308123326 572767069 /nfs/dbraw/zinc/76/70/69/572767069.db2.gz SKCLSGDOPPLCAK-DTWKUNHWSA-N 2 0 190.356 1.455 10 0 ADAERP CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C 307915036 572767358 /nfs/dbraw/zinc/76/73/58/572767358.db2.gz QJRYKHIRCWLNHH-ZJUUUORDSA-N 2 0 184.327 1.905 10 0 ADAERP CC(C)=CC[NH2+][C@H](C)CCC[NH3+] 308122728 572767760 /nfs/dbraw/zinc/76/77/60/572767760.db2.gz RRBBCCCKMXWIFE-SNVBAGLBSA-N 2 0 170.300 1.670 10 0 ADAERP CC(C)=CC[NH2+][C@@H](C)CCC[NH3+] 308122720 572768397 /nfs/dbraw/zinc/76/83/97/572768397.db2.gz RRBBCCCKMXWIFE-JTQLQIEISA-N 2 0 170.300 1.670 10 0 ADAERP CCCn1ccc(C[NH2+]CCC[NH3+])c1 85605709 572769462 /nfs/dbraw/zinc/76/94/62/572769462.db2.gz ZOHGDAZQFYDAIO-UHFFFAOYSA-N 2 0 195.310 1.337 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH+]1CCC1 308123456 572768683 /nfs/dbraw/zinc/76/86/83/572768683.db2.gz SLSKVISJFIEXFY-JTQLQIEISA-N 2 0 170.300 1.313 10 0 ADAERP CC[N@H+](C)CC(C)(C)[C@H](C)[NH2+]C 85678407 572768823 /nfs/dbraw/zinc/76/88/23/572768823.db2.gz CGNSGMBACBLEBZ-VIFPVBQESA-N 2 0 172.316 1.572 10 0 ADAERP C[C@@H]([NH3+])C(C)(C)C[N@H+](C)C1CC1 85678428 572769110 /nfs/dbraw/zinc/76/91/10/572769110.db2.gz BJBZIKMMRWSGQW-MRVPVSSYSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]([NH3+])C(C)(C)C[N@H+](C)C1CC1 85678426 572769312 /nfs/dbraw/zinc/76/93/12/572769312.db2.gz BJBZIKMMRWSGQW-QMMMGPOBSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678212 572769339 /nfs/dbraw/zinc/76/93/39/572769339.db2.gz BACSKQTWFORUOA-SECBINFHSA-N 2 0 172.316 1.700 10 0 ADAERP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)CC 85678401 572769359 /nfs/dbraw/zinc/76/93/59/572769359.db2.gz KACKUOXMRVIQJS-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP CCC[N@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678468 572769641 /nfs/dbraw/zinc/76/96/41/572769641.db2.gz OIJQMNUWHKINBT-VIFPVBQESA-N 2 0 172.316 1.702 10 0 ADAERP CC[NH2+][C@H](C)C(C)(C)C[NH+](C)C 85678343 572769661 /nfs/dbraw/zinc/76/96/61/572769661.db2.gz UXIHZPDEUIVKMU-SECBINFHSA-N 2 0 172.316 1.572 10 0 ADAERP C[NH2+][C@H](C)C(C)(C)C[N@H+](C)C(C)C 85678225 572769678 /nfs/dbraw/zinc/76/96/78/572769678.db2.gz ZDYRVGKDWCNRQC-SNVBAGLBSA-N 2 0 186.343 1.961 10 0 ADAERP C[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C1CC1 85678437 572769798 /nfs/dbraw/zinc/76/97/98/572769798.db2.gz FNZZRUDXWNXRIV-VIFPVBQESA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H](C)C(C)(C)C[N@H+](C)C1CC1 85678439 572769874 /nfs/dbraw/zinc/76/98/74/572769874.db2.gz FNZZRUDXWNXRIV-SECBINFHSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85679630 572769943 /nfs/dbraw/zinc/76/99/43/572769943.db2.gz OXOVDDUAEHNWJX-MXWKQRLJSA-N 2 0 198.354 1.948 10 0 ADAERP [NH3+]CCCCCC[NH2+]CCF 307920413 572769973 /nfs/dbraw/zinc/76/99/73/572769973.db2.gz JQZOVKXUFAHOKX-UHFFFAOYSA-N 2 0 162.252 1.065 10 0 ADAERP CCC([NH3+])(CC)C[NH2+][C@H]1CC[C@@H]1C 308125455 572769983 /nfs/dbraw/zinc/76/99/83/572769983.db2.gz ASIJUVRVOKJTBZ-UWVGGRQHSA-N 2 0 184.327 1.892 10 0 ADAERP C[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C(C)C 85678228 572769999 /nfs/dbraw/zinc/76/99/99/572769999.db2.gz ZDYRVGKDWCNRQC-JTQLQIEISA-N 2 0 186.343 1.961 10 0 ADAERP CCn1ccc(C[NH2+]CCCC[NH3+])c1 85605713 572770045 /nfs/dbraw/zinc/77/00/45/572770045.db2.gz PDNVXMYDRBHWRC-UHFFFAOYSA-N 2 0 195.310 1.337 10 0 ADAERP C[C@H]([NH3+])C(C)(C)C[N@H+](C)CC1CC1 85678838 572770062 /nfs/dbraw/zinc/77/00/62/572770062.db2.gz DEZNTQSFBHULII-VIFPVBQESA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])C[NH2+]CCCCF 308125803 572770223 /nfs/dbraw/zinc/77/02/23/572770223.db2.gz CXJOVEWXJXPLSX-VHSXEESVSA-N 2 0 190.306 1.699 10 0 ADAERP C/C=C/CC[NH2+]CC(C)(C)[NH2+]C 308125547 572770264 /nfs/dbraw/zinc/77/02/64/572770264.db2.gz VGQQRDVFEASHQU-AATRIKPKSA-N 2 0 170.300 1.540 10 0 ADAERP CC[NH+](CC)CC(C)(C)[C@@H](C)[NH2+]C 85678122 572770531 /nfs/dbraw/zinc/77/05/31/572770531.db2.gz WJAZYFGPXFVGHN-SNVBAGLBSA-N 2 0 186.343 1.962 10 0 ADAERP CCC[NH2+][C@@H](C)C(C)(C)C[NH+](C)C 85678337 572770586 /nfs/dbraw/zinc/77/05/86/572770586.db2.gz RCDVTZLBXZEXTD-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP C[C@@H]([NH3+])C(C)(C)C[N@H+](C)CC1CC1 85678841 572770601 /nfs/dbraw/zinc/77/06/01/572770601.db2.gz DEZNTQSFBHULII-SECBINFHSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@H](C)C(C)(C)C[NH+]1CCCC1 85678075 572770641 /nfs/dbraw/zinc/77/06/41/572770641.db2.gz WZTLWNXISJGVIV-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP C/C=C\CC[NH2+]CC(C)(C)[NH2+]C 308125553 572770646 /nfs/dbraw/zinc/77/06/46/572770646.db2.gz VGQQRDVFEASHQU-WAYWQWQTSA-N 2 0 170.300 1.540 10 0 ADAERP CC[NH+](CC)CC(C)(C)[C@H](C)[NH3+] 85678108 572770822 /nfs/dbraw/zinc/77/08/22/572770822.db2.gz PNNBYOPTOARHPL-VIFPVBQESA-N 2 0 172.316 1.702 10 0 ADAERP CCC[N@H+](C)CC(C)(C)[C@@H](C)[NH2+]C 85678478 572770948 /nfs/dbraw/zinc/77/09/48/572770948.db2.gz UAXVQRUYQRLYDQ-SNVBAGLBSA-N 2 0 186.343 1.962 10 0 ADAERP CC(C)C[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678494 572770963 /nfs/dbraw/zinc/77/09/63/572770963.db2.gz ZUDQQTINFRYULK-SNVBAGLBSA-N 2 0 186.343 1.948 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]1CCC[N@@H+]1CCCF 308125976 572770995 /nfs/dbraw/zinc/77/09/95/572770995.db2.gz AKGRPXBKOIVFKJ-ZJUUUORDSA-N 2 0 188.290 1.548 10 0 ADAERP CCC[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678467 572771144 /nfs/dbraw/zinc/77/11/44/572771144.db2.gz OIJQMNUWHKINBT-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP CCC[NH2+][C@H](C)C(C)(C)C[NH+](C)C 85678339 572771291 /nfs/dbraw/zinc/77/12/91/572771291.db2.gz RCDVTZLBXZEXTD-SNVBAGLBSA-N 2 0 186.343 1.962 10 0 ADAERP C[NH2+][C@@H](C)C(C)(C)C[NH+]1CCCC1 85678072 572771410 /nfs/dbraw/zinc/77/14/10/572771410.db2.gz WZTLWNXISJGVIV-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)C[N@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678496 572771541 /nfs/dbraw/zinc/77/15/41/572771541.db2.gz ZUDQQTINFRYULK-JTQLQIEISA-N 2 0 186.343 1.948 10 0 ADAERP CC[NH+](CC)CC(C)(C)[C@@H](C)[NH3+] 85678104 572771558 /nfs/dbraw/zinc/77/15/58/572771558.db2.gz PNNBYOPTOARHPL-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP CC[NH2+][C@H](C)C(C)(C)C[N@H+](C)CC 85678403 572771747 /nfs/dbraw/zinc/77/17/47/572771747.db2.gz KACKUOXMRVIQJS-SNVBAGLBSA-N 2 0 186.343 1.962 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CCC[N@@H+]1CCCF 308125968 572771835 /nfs/dbraw/zinc/77/18/35/572771835.db2.gz AKGRPXBKOIVFKJ-UWVGGRQHSA-N 2 0 188.290 1.548 10 0 ADAERP CCC[N@H+](C)CC(C)(C)[C@H](C)[NH2+]C 85678480 572771998 /nfs/dbraw/zinc/77/19/98/572771998.db2.gz UAXVQRUYQRLYDQ-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]1C 308125454 572772002 /nfs/dbraw/zinc/77/20/02/572772002.db2.gz ASIJUVRVOKJTBZ-NXEZZACHSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)[N@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678213 572772040 /nfs/dbraw/zinc/77/20/40/572772040.db2.gz BACSKQTWFORUOA-VIFPVBQESA-N 2 0 172.316 1.700 10 0 ADAERP C/C=C\CC[NH2+]C1(CN)CCC1 307923879 572772108 /nfs/dbraw/zinc/77/21/08/572772108.db2.gz GVWPJDBPKRRKOF-IHWYPQMZSA-N 2 0 168.284 1.424 10 0 ADAERP CC[N@H+](CC(C)(C)[C@@H](C)[NH3+])C1CC1 85678409 572772125 /nfs/dbraw/zinc/77/21/25/572772125.db2.gz NWHHLIUGRVCPFD-SECBINFHSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]C[C@H]1CC[N@H+](CCCCF)C1 308125221 572772191 /nfs/dbraw/zinc/77/21/91/572772191.db2.gz ANQFHHKGEAHXHE-SNVBAGLBSA-N 2 0 188.290 1.277 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85679626 572772203 /nfs/dbraw/zinc/77/22/03/572772203.db2.gz OXOVDDUAEHNWJX-GMTAPVOTSA-N 2 0 198.354 1.948 10 0 ADAERP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]1C 308125456 572772482 /nfs/dbraw/zinc/77/24/82/572772482.db2.gz ASIJUVRVOKJTBZ-VHSXEESVSA-N 2 0 184.327 1.892 10 0 ADAERP CC[NH+](CC)CC(C)(C)[C@H](C)[NH2+]C 85678126 572772494 /nfs/dbraw/zinc/77/24/94/572772494.db2.gz WJAZYFGPXFVGHN-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+]CCCCF 308125796 572772559 /nfs/dbraw/zinc/77/25/59/572772559.db2.gz CXJOVEWXJXPLSX-NXEZZACHSA-N 2 0 190.306 1.699 10 0 ADAERP C[C@@H]([NH3+])C[C@H]1CCC[N@@H+]1CCCF 308125966 572773123 /nfs/dbraw/zinc/77/31/23/572773123.db2.gz AKGRPXBKOIVFKJ-NXEZZACHSA-N 2 0 188.290 1.548 10 0 ADAERP [NH3+]CC/C=C1\CC[N@@H+]2CCC[C@H]12 307931710 572772659 /nfs/dbraw/zinc/77/26/59/572772659.db2.gz YCIPTKFBKFAJGY-OTVCUZDGSA-N 2 0 166.268 1.130 10 0 ADAERP CC[N@H+](CC(C)(C)[C@H](C)[NH3+])C1CC1 85678411 572772777 /nfs/dbraw/zinc/77/27/77/572772777.db2.gz NWHHLIUGRVCPFD-VIFPVBQESA-N 2 0 184.327 1.844 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CCC[N@@H+]1CCCF 308125971 572772796 /nfs/dbraw/zinc/77/27/96/572772796.db2.gz AKGRPXBKOIVFKJ-VHSXEESVSA-N 2 0 188.290 1.548 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])C[NH2+]CCCCF 308125798 572772972 /nfs/dbraw/zinc/77/29/72/572772972.db2.gz CXJOVEWXJXPLSX-UWVGGRQHSA-N 2 0 190.306 1.699 10 0 ADAERP C[C@@H]([NH3+])CCCC[NH2+]CCF 307925017 572773027 /nfs/dbraw/zinc/77/30/27/572773027.db2.gz PKKGTQXRRAGTOD-MRVPVSSYSA-N 2 0 162.252 1.063 10 0 ADAERP C[C@H]([NH3+])CSCCCCCC[NH3+] 307930997 572773311 /nfs/dbraw/zinc/77/33/11/572773311.db2.gz CBZICGZKOKXKIH-VIFPVBQESA-N 2 0 190.356 1.586 10 0 ADAERP C[C@@H]([NH3+])CSCCCCCC[NH3+] 307930996 572773339 /nfs/dbraw/zinc/77/33/39/572773339.db2.gz CBZICGZKOKXKIH-SECBINFHSA-N 2 0 190.356 1.586 10 0 ADAERP C[C@H]([NH3+])CCCC[NH2+]CCF 307925018 572773403 /nfs/dbraw/zinc/77/34/03/572773403.db2.gz PKKGTQXRRAGTOD-QMMMGPOBSA-N 2 0 162.252 1.063 10 0 ADAERP CCCN(CC[NH3+])C/C(C)=C/Cl 307928108 572776205 /nfs/dbraw/zinc/77/62/05/572776205.db2.gz AHEAUBVDIGVNPG-VQHVLOKHSA-N 2 0 190.718 1.800 10 0 ADAERP [NH3+]CC/C=C1\CC[N@@H+]2CCC[C@@H]12 307931712 572773581 /nfs/dbraw/zinc/77/35/81/572773581.db2.gz YCIPTKFBKFAJGY-RZCNENHTSA-N 2 0 166.268 1.130 10 0 ADAERP CC(C)[NH2+]CC[C@H]1CSCC[NH2+]1 85615623 572773777 /nfs/dbraw/zinc/77/37/77/572773777.db2.gz LVSNDZNTDQNZHT-VIFPVBQESA-N 2 0 188.340 1.080 10 0 ADAERP CCCN(C)CCNC1=[NH+]CCC1 688689554 572774574 /nfs/dbraw/zinc/77/45/74/572774574.db2.gz UFQIZIZOVHHAPQ-UHFFFAOYSA-N 2 0 183.299 1.110 10 0 ADAERP CCCn1cccc1C[NH2+]CCC[NH3+] 85608943 572774625 /nfs/dbraw/zinc/77/46/25/572774625.db2.gz TVHAQRSGQXQTCV-UHFFFAOYSA-N 2 0 195.310 1.337 10 0 ADAERP CCC[NH2+]CC[C@H]1CSCC[NH2+]1 85615603 572774745 /nfs/dbraw/zinc/77/47/45/572774745.db2.gz FIYRDQKZNJZFTL-VIFPVBQESA-N 2 0 188.340 1.081 10 0 ADAERP CC(C)[NH2+]CC[C@@H]1CSCC[NH2+]1 85615620 572775602 /nfs/dbraw/zinc/77/56/02/572775602.db2.gz LVSNDZNTDQNZHT-SECBINFHSA-N 2 0 188.340 1.080 10 0 ADAERP CCn1cccc1C[NH2+]CCCC[NH3+] 85608950 572775740 /nfs/dbraw/zinc/77/57/40/572775740.db2.gz KMMCDOCFBIUORO-UHFFFAOYSA-N 2 0 195.310 1.337 10 0 ADAERP CCCCC[NH2+][C@@](C)(CC)CN 307928115 572776249 /nfs/dbraw/zinc/77/62/49/572776249.db2.gz AHISBGLKIRDJKM-JTQLQIEISA-N 2 0 172.316 1.894 10 0 ADAERP CCCN(CC[NH3+])C/C(C)=C\Cl 307928106 572776368 /nfs/dbraw/zinc/77/63/68/572776368.db2.gz AHEAUBVDIGVNPG-CLFYSBASSA-N 2 0 190.718 1.800 10 0 ADAERP CCCCC[NH2+][C@](C)(CC)CN 307928116 572776664 /nfs/dbraw/zinc/77/66/64/572776664.db2.gz AHISBGLKIRDJKM-SNVBAGLBSA-N 2 0 172.316 1.894 10 0 ADAERP CN(C)C[C@@H]([NH3+])CC1(C)CCC1 307928923 572777629 /nfs/dbraw/zinc/77/76/29/572777629.db2.gz AVVIJMHLZZORKV-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CCCC[N@H+](CC)[C@@H]1CC[C@@H]([NH3+])C1 223111138 572778715 /nfs/dbraw/zinc/77/87/15/572778715.db2.gz QYZGCRBORUKFLJ-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP CN(C[C@H]([NH3+])CC1CC1)C1CC1 307928901 572778624 /nfs/dbraw/zinc/77/86/24/572778624.db2.gz AVBJIMJAXFNBPN-SECBINFHSA-N 2 0 168.284 1.208 10 0 ADAERP CCC(C)(CC)[NH2+]C[C@@H](C)C[NH3+] 307929990 572778774 /nfs/dbraw/zinc/77/87/74/572778774.db2.gz BOGYAVWYXCVFMA-VIFPVBQESA-N 2 0 172.316 1.750 10 0 ADAERP CN(C)C[C@H]([NH3+])CC1(C)CCC1 307928921 572778825 /nfs/dbraw/zinc/77/88/25/572778825.db2.gz AVVIJMHLZZORKV-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC(C)(CC)[NH2+]C[C@H](C)C[NH3+] 307929988 572778887 /nfs/dbraw/zinc/77/88/87/572778887.db2.gz BOGYAVWYXCVFMA-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CCCCF 307929257 572779182 /nfs/dbraw/zinc/77/91/82/572779182.db2.gz BFWSBTZGYIETOX-SECBINFHSA-N 2 0 176.279 1.453 10 0 ADAERP CN(C[C@@H]([NH3+])CC1CC1)C1CC1 307928903 572779292 /nfs/dbraw/zinc/77/92/92/572779292.db2.gz AVBJIMJAXFNBPN-VIFPVBQESA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@]1(C[NH2+]CCCCF)CCC[NH2+]1 308119288 572779548 /nfs/dbraw/zinc/77/95/48/572779548.db2.gz CEFOONRBWCEVMD-JTQLQIEISA-N 2 0 188.290 1.468 10 0 ADAERP CSC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] 308119548 572779567 /nfs/dbraw/zinc/77/95/67/572779567.db2.gz OFDNBZBIVQQHFI-DTWKUNHWSA-N 2 0 190.356 1.455 10 0 ADAERP C1C[NH2+][C@H](CCC[NH+]2CCC2)C1 308119906 572779587 /nfs/dbraw/zinc/77/95/87/572779587.db2.gz OKLFUEGZUCXISL-JTQLQIEISA-N 2 0 168.284 1.224 10 0 ADAERP CSC[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 308119556 572780098 /nfs/dbraw/zinc/78/00/98/572780098.db2.gz OFDNBZBIVQQHFI-RKDXNWHRSA-N 2 0 190.356 1.455 10 0 ADAERP CC(=[NH2+])N[C@H](C)C[N@@H+](C)C(C)C 308120372 572780173 /nfs/dbraw/zinc/78/01/73/572780173.db2.gz OZXXWNXTBGFUTG-MRVPVSSYSA-N 2 0 171.288 1.302 10 0 ADAERP C1C[NH2+][C@@H](CCC[NH+]2CCC2)C1 308119907 572780327 /nfs/dbraw/zinc/78/03/27/572780327.db2.gz OKLFUEGZUCXISL-SNVBAGLBSA-N 2 0 168.284 1.224 10 0 ADAERP [NH2+]=C1CCCN1[C@@H]1CC[N@@H+]2CCC[C@H]12 49568791 572780365 /nfs/dbraw/zinc/78/03/65/572780365.db2.gz MATHITWFQWRALA-NXEZZACHSA-N 2 0 193.294 1.296 10 0 ADAERP C[NH+](C)CCCN1CCCCC1=[NH2+] 49584081 572782488 /nfs/dbraw/zinc/78/24/88/572782488.db2.gz ZBCCDNGLPNTJNJ-UHFFFAOYSA-N 2 0 183.299 1.401 10 0 ADAERP C[C@]1(C[NH2+]CCCCF)CCC[NH2+]1 308119289 572780565 /nfs/dbraw/zinc/78/05/65/572780565.db2.gz CEFOONRBWCEVMD-SNVBAGLBSA-N 2 0 188.290 1.468 10 0 ADAERP [NH2+]=C1CCCN1[C@@H]1CC[N@@H+]2CCC[C@@H]12 49568792 572781042 /nfs/dbraw/zinc/78/10/42/572781042.db2.gz MATHITWFQWRALA-VHSXEESVSA-N 2 0 193.294 1.296 10 0 ADAERP CSC[C@H](C)[NH2+][C@H](C)CCC[NH3+] 308119539 572781445 /nfs/dbraw/zinc/78/14/45/572781445.db2.gz OFDNBZBIVQQHFI-BDAKNGLRSA-N 2 0 190.356 1.455 10 0 ADAERP CC(=[NH2+])N[C@@H](C)C[N@@H+](C)C(C)C 308120373 572781666 /nfs/dbraw/zinc/78/16/66/572781666.db2.gz OZXXWNXTBGFUTG-QMMMGPOBSA-N 2 0 171.288 1.302 10 0 ADAERP CSC[C@H](C)[NH2+][C@@H](C)CCC[NH3+] 308119551 572781776 /nfs/dbraw/zinc/78/17/76/572781776.db2.gz OFDNBZBIVQQHFI-IUCAKERBSA-N 2 0 190.356 1.455 10 0 ADAERP [NH3+]C[C@H](CC1CC1)C[N@H+]1C[C@H]2C[C@H]2C1 404706806 572782214 /nfs/dbraw/zinc/78/22/14/572782214.db2.gz AZPGPFNOJDFSCS-SDDRHHMPSA-N 2 0 194.322 1.313 10 0 ADAERP C[N@@H+]1CC[C@H](CN2CCCCC2=[NH2+])C1 49584257 572782309 /nfs/dbraw/zinc/78/23/09/572782309.db2.gz HFIWBYYIVFDSOD-JTQLQIEISA-N 2 0 195.310 1.401 10 0 ADAERP [NH3+]C[C@@H](CC1CC1)C[N@H+]1C[C@H]2C[C@H]2C1 404706818 572782819 /nfs/dbraw/zinc/78/28/19/572782819.db2.gz AZPGPFNOJDFSCS-UTUOFQBUSA-N 2 0 194.322 1.313 10 0 ADAERP CC[NH+]1CCC([NH2+]CCCF)CC1 308129114 572783181 /nfs/dbraw/zinc/78/31/81/572783181.db2.gz BARVPHVANNJAMX-UHFFFAOYSA-N 2 0 188.290 1.420 10 0 ADAERP C[N@@H+]1CC[C@H](N2CCCCC2=[NH2+])C1 49584282 572783583 /nfs/dbraw/zinc/78/35/83/572783583.db2.gz AYXQGHQOWCJMOP-VIFPVBQESA-N 2 0 181.283 1.154 10 0 ADAERP C[N@@H+]1CCC[C@H](N2CCCCC2=[NH2+])C1 49584273 572784019 /nfs/dbraw/zinc/78/40/19/572784019.db2.gz WBXMBMJVFKIMAH-JTQLQIEISA-N 2 0 195.310 1.544 10 0 ADAERP CC(C)([NH3+])CC[NH2+]C1CC=CC1 308129628 572784315 /nfs/dbraw/zinc/78/43/15/572784315.db2.gz WWBPHFJZAJQQKC-UHFFFAOYSA-N 2 0 168.284 1.422 10 0 ADAERP CSC1(C[NH2+]C[C@H](C)C[NH3+])CC1 307932127 572784863 /nfs/dbraw/zinc/78/48/63/572784863.db2.gz ACOOJIVWYWKJDV-MRVPVSSYSA-N 2 0 188.340 1.066 10 0 ADAERP CC[C@H]1CC[N@H+](CC)CC[NH2+]1 49661500 572792296 /nfs/dbraw/zinc/79/22/96/572792296.db2.gz OJZZFYBPDMMRAL-VIFPVBQESA-N 2 0 156.273 1.080 10 0 ADAERP [NH3+]C1CC[NH+](CCCCF)CC1 238548903 572785383 /nfs/dbraw/zinc/78/53/83/572785383.db2.gz GTFGSKMIEZGOMG-UHFFFAOYSA-N 2 0 174.263 1.159 10 0 ADAERP CSC1(C[NH2+]C[C@@H](C)C[NH3+])CC1 307932130 572785410 /nfs/dbraw/zinc/78/54/10/572785410.db2.gz ACOOJIVWYWKJDV-QMMMGPOBSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@H]1CC[C@@H]1[NH2+]CC1(C[NH3+])CCC1 308131559 572786711 /nfs/dbraw/zinc/78/67/11/572786711.db2.gz FDUCAMFYUXIWCS-UWVGGRQHSA-N 2 0 182.311 1.504 10 0 ADAERP CC[NH2+]CC[C@@H]1CCCC[NH2+]1 141597189 572785824 /nfs/dbraw/zinc/78/58/24/572785824.db2.gz YPNZHTWMIVJNMZ-VIFPVBQESA-N 2 0 156.273 1.128 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2)[NH2+]1 714550226 572787956 /nfs/dbraw/zinc/78/79/56/572787956.db2.gz SFFYGJSJGITYPS-MIMYLULJSA-N 2 0 191.278 1.222 10 0 ADAERP CCCC1(C[NH2+][C@@H](C)CC[NH3+])CC1 308131446 572786606 /nfs/dbraw/zinc/78/66/06/572786606.db2.gz DZTWXCJTUWNION-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCSC1 308131530 572787964 /nfs/dbraw/zinc/78/79/64/572787964.db2.gz XUIZQOJEHJRYAR-XHNCKOQMSA-N 2 0 188.340 1.065 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@H]1CCSC1 308131528 572787976 /nfs/dbraw/zinc/78/79/76/572787976.db2.gz XUIZQOJEHJRYAR-DJLDLDEBSA-N 2 0 188.340 1.065 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+]CC1(C[NH3+])CCC1 308131560 572787687 /nfs/dbraw/zinc/78/76/87/572787687.db2.gz FDUCAMFYUXIWCS-VHSXEESVSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1CCSC1 308131525 572787789 /nfs/dbraw/zinc/78/77/89/572787789.db2.gz XUIZQOJEHJRYAR-CIUDSAMLSA-N 2 0 188.340 1.065 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@@H]1C[NH2+]CCF 308131522 572787907 /nfs/dbraw/zinc/78/79/07/572787907.db2.gz FCAFINUBKCITPN-VHSXEESVSA-N 2 0 188.290 1.311 10 0 ADAERP C[C@@H]1CC[C@H]1[NH2+]CC1(C[NH3+])CCC1 308131557 572787923 /nfs/dbraw/zinc/78/79/23/572787923.db2.gz FDUCAMFYUXIWCS-NXEZZACHSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2)[NH2+]1 714550224 572787940 /nfs/dbraw/zinc/78/79/40/572787940.db2.gz SFFYGJSJGITYPS-FBIMIBRVSA-N 2 0 191.278 1.222 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2)[NH2+]1 714550225 572788099 /nfs/dbraw/zinc/78/80/99/572788099.db2.gz SFFYGJSJGITYPS-IEBDPFPHSA-N 2 0 191.278 1.222 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@@H]1C[NH2+]CCF 308131518 572788152 /nfs/dbraw/zinc/78/81/52/572788152.db2.gz FCAFINUBKCITPN-NXEZZACHSA-N 2 0 188.290 1.311 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+]CC1(C[NH3+])CCC1 308131562 572788160 /nfs/dbraw/zinc/78/81/60/572788160.db2.gz FDUCAMFYUXIWCS-ZJUUUORDSA-N 2 0 182.311 1.504 10 0 ADAERP CCCC1(C[NH2+][C@H](C)CC[NH3+])CC1 308131448 572788456 /nfs/dbraw/zinc/78/84/56/572788456.db2.gz DZTWXCJTUWNION-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@H]1C[NH2+]CCF 308131524 572788822 /nfs/dbraw/zinc/78/88/22/572788822.db2.gz FCAFINUBKCITPN-ZJUUUORDSA-N 2 0 188.290 1.311 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@H]1C[NH2+]CCF 308131520 572789172 /nfs/dbraw/zinc/78/91/72/572789172.db2.gz FCAFINUBKCITPN-UWVGGRQHSA-N 2 0 188.290 1.311 10 0 ADAERP CC(C)([C@H]([NH3+])CC1CC1)[NH+]1CCCC1 85740429 572789465 /nfs/dbraw/zinc/78/94/65/572789465.db2.gz LQUSPZCFWVJRKT-LLVKDONJSA-N 2 0 196.338 1.988 10 0 ADAERP CC[NH2+][C@H](C)C(C)(C)[NH+]1CCCC1 85740833 572789679 /nfs/dbraw/zinc/78/96/79/572789679.db2.gz CWEDYIPNZSHXQL-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H]1C[C@H]([NH+](CC)CC)CC[NH2+]1 307768303 572790012 /nfs/dbraw/zinc/79/00/12/572790012.db2.gz JWIOATRIMKPKGY-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@@H]1C[C@H]([NH+](CC)CC)CC[NH2+]1 307768300 572790128 /nfs/dbraw/zinc/79/01/28/572790128.db2.gz JWIOATRIMKPKGY-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)C(C)(C)[NH+]1CCCC1 85740831 572790441 /nfs/dbraw/zinc/79/04/41/572790441.db2.gz CWEDYIPNZSHXQL-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CC(C)([C@@H]([NH3+])CC1CC1)[NH+]1CCCC1 85740436 572790534 /nfs/dbraw/zinc/79/05/34/572790534.db2.gz LQUSPZCFWVJRKT-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 85740573 572790740 /nfs/dbraw/zinc/79/07/40/572790740.db2.gz MHTVPBDGZGJSPU-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H]1C[C@@H]([NH+](CC)CC)CC[NH2+]1 307768302 572791034 /nfs/dbraw/zinc/79/10/34/572791034.db2.gz JWIOATRIMKPKGY-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@@H](C1CC1)C(C)(C)[NH+]1CCCC1 85740728 572791509 /nfs/dbraw/zinc/79/15/09/572791509.db2.gz NYMKAUUANLNEKF-NSHDSACASA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]1C[C@@H]([NH+](CC)CC)CC[NH2+]1 307768301 572791728 /nfs/dbraw/zinc/79/17/28/572791728.db2.gz JWIOATRIMKPKGY-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H]1CC[N@H+](C)CC[C@H](C)[NH2+]1 49663007 572792323 /nfs/dbraw/zinc/79/23/23/572792323.db2.gz OZLRYLUVIFHZSH-UWVGGRQHSA-N 2 0 170.300 1.469 10 0 ADAERP CCC[N@@H+]1CC[NH2+][C@@H](CC)CC1 49661550 572792449 /nfs/dbraw/zinc/79/24/49/572792449.db2.gz OIIWSPMYCMCNIL-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CC[C@H]1CC[N@H+](CC2CC2)CC[NH2+]1 49660759 572792552 /nfs/dbraw/zinc/79/25/52/572792552.db2.gz ZXVDWRDMDAZJCS-NSHDSACASA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1CC[NH+](C)CC[C@H](C)[NH2+]1 49663013 572792794 /nfs/dbraw/zinc/79/27/94/572792794.db2.gz ZNDJEUBBXJSENU-IUCAKERBSA-N 2 0 156.273 1.079 10 0 ADAERP C[C@@H]1CC[NH+](C)CC[C@@H](C)[NH2+]1 49663015 572792801 /nfs/dbraw/zinc/79/28/01/572792801.db2.gz ZNDJEUBBXJSENU-RKDXNWHRSA-N 2 0 156.273 1.079 10 0 ADAERP CC(C)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 49663043 572792835 /nfs/dbraw/zinc/79/28/35/572792835.db2.gz JVCBCBATZIJPSC-QWRGUYRKSA-N 2 0 184.327 1.857 10 0 ADAERP CC(C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 49663033 572792868 /nfs/dbraw/zinc/79/28/68/572792868.db2.gz SEIYPWVTKPRFLI-JTQLQIEISA-N 2 0 170.300 1.469 10 0 ADAERP C[C@H]1CC[N@H+](CC2CC2)C[C@H](C)C[NH2+]1 49662931 572792910 /nfs/dbraw/zinc/79/29/10/572792910.db2.gz 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CRBYASQLPMABIB-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[N@@H+]1CC[NH2+][C@H](C)CC1 49661559 572795189 /nfs/dbraw/zinc/79/51/89/572795189.db2.gz RBRMLRRJXGEYPG-SECBINFHSA-N 2 0 156.273 1.080 10 0 ADAERP CC(C)[N@@H+]1CC[NH2+][C@H](C)CC1 49660810 572795463 /nfs/dbraw/zinc/79/54/63/572795463.db2.gz MUPXRVOFBIRNGQ-SECBINFHSA-N 2 0 156.273 1.079 10 0 ADAERP CCC(C)(CC)[NH2+]CC(C)(C)[NH3+] 307937034 572795534 /nfs/dbraw/zinc/79/55/34/572795534.db2.gz AABWTBLIXNDVPC-UHFFFAOYSA-N 2 0 172.316 1.892 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+](C(C)(C)C)C1 49662966 572795548 /nfs/dbraw/zinc/79/55/48/572795548.db2.gz BAFINPRJNFAVDM-PHIMTYICSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@](C)([C@H](C)[NH2+]C)[NH+]1CCCC1 85749112 572795571 /nfs/dbraw/zinc/79/55/71/572795571.db2.gz RTMWFGQGNXWFDS-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 49662768 572795587 /nfs/dbraw/zinc/79/55/87/572795587.db2.gz LGZGKWJJOAWIFL-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP 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/nfs/dbraw/zinc/80/00/83/572800083.db2.gz UQRODBFASABLBJ-BDAKNGLRSA-N 2 0 170.300 1.597 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 49664964 572800125 /nfs/dbraw/zinc/80/01/25/572800125.db2.gz BSMDHDBHJYCCFS-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[N@@H+](C2CC2)CCC[NH2+]1 49664822 572800229 /nfs/dbraw/zinc/80/02/29/572800229.db2.gz SOHLASVGUKCMMW-VIFPVBQESA-N 2 0 168.284 1.223 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+](C2CC2)C1 49664840 572800330 /nfs/dbraw/zinc/80/03/30/572800330.db2.gz WYCNFCIMBBZYSC-AOOOYVTPSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[N@@H+](C(C)(C)C)CC[C@@H]1[NH3+] 49694119 572800349 /nfs/dbraw/zinc/80/03/49/572800349.db2.gz IMKOHHJXKFYSBR-BDAKNGLRSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@@H]1CC[N@H+](CC)C[C@H](C)C[NH2+]1 49664798 572800433 /nfs/dbraw/zinc/80/04/33/572800433.db2.gz DBLOOTDCWCQFED-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[NH+](C2CC2)CC[C@H](C)[NH2+]1 49664832 572800526 /nfs/dbraw/zinc/80/05/26/572800526.db2.gz SCAYYRVUVSQKPM-UWVGGRQHSA-N 2 0 182.311 1.611 10 0 ADAERP CCCC[NH+]1CCC[NH2+]CCC1 49663249 572800546 /nfs/dbraw/zinc/80/05/46/572800546.db2.gz GNTZXPVHJBBQLK-UHFFFAOYSA-N 2 0 170.300 1.472 10 0 ADAERP C[C@H]1C[NH2+]CCC[N@@H+](C2CCCC2)C1 49664904 572802608 /nfs/dbraw/zinc/80/26/08/572802608.db2.gz OSBUOWYKCUYDAF-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1C[NH2+]CCC[N@H+](CC2CCC2)C1 49665870 572800746 /nfs/dbraw/zinc/80/07/46/572800746.db2.gz BGBBOVYQJYZWBU-NSHDSACASA-N 2 0 196.338 1.718 10 0 ADAERP C[C@@H]1CC[N@@H+](C2CC2)CCC[NH2+]1 49664820 572800838 /nfs/dbraw/zinc/80/08/38/572800838.db2.gz SOHLASVGUKCMMW-SECBINFHSA-N 2 0 168.284 1.223 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 49694195 572800850 /nfs/dbraw/zinc/80/08/50/572800850.db2.gz ADQWDHVYHBWYEQ-BDAKNGLRSA-N 2 0 156.273 1.206 10 0 ADAERP CCC[N@@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49664959 572800892 /nfs/dbraw/zinc/80/08/92/572800892.db2.gz DIHALCXIIIZYNQ-PHIMTYICSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H](C)[N@@H+]1CCC[NH2+]C[C@H](C)C1 49664380 572800902 /nfs/dbraw/zinc/80/09/02/572800902.db2.gz VXAGDKXSIARYSP-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CCCC[N@@H+]1CCC[NH2+][C@H](C)CC1 49663223 572800929 /nfs/dbraw/zinc/80/09/29/572800929.db2.gz XXXXGEURSNKPTD-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)CC1 49664357 572800991 /nfs/dbraw/zinc/80/09/91/572800991.db2.gz AZSCMHNRMMYEIE-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 49664862 572801012 /nfs/dbraw/zinc/80/10/12/572801012.db2.gz MQUZTCMIVZUWBY-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 49664973 572801096 /nfs/dbraw/zinc/80/10/96/572801096.db2.gz OMIUHGPYCCRTMC-GHMZBOCLSA-N 2 0 184.327 1.574 10 0 ADAERP CCC[N@@H+]1CCC[NH2+][C@@H](CC)CC1 49664947 572802701 /nfs/dbraw/zinc/80/27/01/572802701.db2.gz JLNRZBDVCQAVHF-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP FCCCC[NH2+]CCN1CCCC1 308132499 572801223 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1.962 10 0 ADAERP CCC(CC)[NH2+]C[C@]1(C)CC[NH2+]C1 308132548 572801762 /nfs/dbraw/zinc/80/17/62/572801762.db2.gz KNXQRIDLOZSRHF-LLVKDONJSA-N 2 0 184.327 1.764 10 0 ADAERP [NH3+]C[C@H]1CCC[N@H+](CCCCF)C1 238553382 572801777 /nfs/dbraw/zinc/80/17/77/572801777.db2.gz RWRWSZJAMVTLAU-SNVBAGLBSA-N 2 0 188.290 1.407 10 0 ADAERP CCC(C)(C)[NH+]1CCC[NH2+]CCC1 49665007 572801788 /nfs/dbraw/zinc/80/17/88/572801788.db2.gz FGQZXUUUSGNEKN-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CCC[N@@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664969 572801806 /nfs/dbraw/zinc/80/18/06/572801806.db2.gz OMIUHGPYCCRTMC-PHIMTYICSA-N 2 0 184.327 1.574 10 0 ADAERP CCOC(C)(C)C[NH2+][C@H](C)[C@@H](C)[NH3+] 308132555 572801855 /nfs/dbraw/zinc/80/18/55/572801855.db2.gz KONZMGXBONDDPQ-RKDXNWHRSA-N 2 0 188.315 1.127 10 0 ADAERP C[C@H]1CC[N@@H+](C2CC2)C[C@H](C)C[NH2+]1 49664835 572801920 /nfs/dbraw/zinc/80/19/20/572801920.db2.gz HGVUNRKFPPEZPZ-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)CC[N@@H+]1CCC[NH2+]C[C@H](C)C1 49663271 572801872 /nfs/dbraw/zinc/80/18/72/572801872.db2.gz WKCZYBRWWMDFIM-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[N@@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 49664963 572801890 /nfs/dbraw/zinc/80/18/90/572801890.db2.gz BSMDHDBHJYCCFS-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[N@@H+](C2CC2)CC[C@@H](C)[NH2+]1 49664830 572801902 /nfs/dbraw/zinc/80/19/02/572801902.db2.gz SCAYYRVUVSQKPM-AOOOYVTPSA-N 2 0 182.311 1.611 10 0 ADAERP CC(C)C[NH+]1CCC[NH2+]CCC1 49664876 572801953 /nfs/dbraw/zinc/80/19/53/572801953.db2.gz MYJCDQZVOKQJJS-UHFFFAOYSA-N 2 0 170.300 1.328 10 0 ADAERP CC(C)CC[N@@H+]1CCC[NH2+]C[C@@H](C)C1 49663270 572801974 /nfs/dbraw/zinc/80/19/74/572801974.db2.gz WKCZYBRWWMDFIM-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C(C)(C)C 49694133 572801992 /nfs/dbraw/zinc/80/19/92/572801992.db2.gz UQRODBFASABLBJ-IUCAKERBSA-N 2 0 170.300 1.597 10 0 ADAERP CC[C@H]1CC[N@@H+](C2CC2)CCC[NH2+]1 49664818 572802007 /nfs/dbraw/zinc/80/20/07/572802007.db2.gz JZDKRLHMLSFZIH-JTQLQIEISA-N 2 0 182.311 1.613 10 0 ADAERP C[C@@H]1C[NH2+]CCC[N@@H+](C2CCCC2)C1 49664903 572802026 /nfs/dbraw/zinc/80/20/26/572802026.db2.gz OSBUOWYKCUYDAF-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)C[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 49664860 572802126 /nfs/dbraw/zinc/80/21/26/572802126.db2.gz MQUZTCMIVZUWBY-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CCCC[N@@H+]1CCC[NH2+]C[C@@H](C)C1 49663242 572802796 /nfs/dbraw/zinc/80/27/96/572802796.db2.gz XPPDHCPRUFYGHC-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP CCC[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 49664971 572802188 /nfs/dbraw/zinc/80/21/88/572802188.db2.gz OMIUHGPYCCRTMC-QWRGUYRKSA-N 2 0 184.327 1.574 10 0 ADAERP CCC[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 49664962 572802239 /nfs/dbraw/zinc/80/22/39/572802239.db2.gz DIHALCXIIIZYNQ-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CCCC[N@@H+]1CCC[NH2+]C[C@H](C)C1 49663240 572802312 /nfs/dbraw/zinc/80/23/12/572802312.db2.gz XPPDHCPRUFYGHC-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP C[C@H]1CC[N@H+]([C@@H](C)C2CC2)CCC[NH2+]1 49666154 572802436 /nfs/dbraw/zinc/80/24/36/572802436.db2.gz ZFNDOWYWIFKARX-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCF 308132447 572802445 /nfs/dbraw/zinc/80/24/45/572802445.db2.gz FVCVFZSYOWXBTH-ZJUUUORDSA-N 2 0 188.290 1.548 10 0 ADAERP CC[C@H](C)[N@@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664384 572802463 /nfs/dbraw/zinc/80/24/63/572802463.db2.gz NVCDLNOXJNXHED-TUAOUCFPSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]1CC[N@H+](CC)CCC[NH2+]1 49664789 572802679 /nfs/dbraw/zinc/80/26/79/572802679.db2.gz SHIDYJVRKHPMHT-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP C[C@H]1C[NH2+]CCC[N@@H+]([C@@H](C)C2CC2)C1 49666171 572802736 /nfs/dbraw/zinc/80/27/36/572802736.db2.gz ZUAWXJSJEXMIKR-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H]1CC[N@H+](CC)CC[C@H](C)[NH2+]1 49664796 572802913 /nfs/dbraw/zinc/80/29/13/572802913.db2.gz RJNOJMHTBDQAAV-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[N@@H+]1CCC[NH2+]C[C@H](C)C1 49664966 572802936 /nfs/dbraw/zinc/80/29/36/572802936.db2.gz SUEGZZUWMCHDFD-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP CCOC(C)(C)C[NH2+][C@H](C)[C@H](C)[NH3+] 308132553 572802971 /nfs/dbraw/zinc/80/29/71/572802971.db2.gz KONZMGXBONDDPQ-DTWKUNHWSA-N 2 0 188.315 1.127 10 0 ADAERP CCC[N@@H+]1CCC[NH2+][C@@H](C)CC1 49664950 572803069 /nfs/dbraw/zinc/80/30/69/572803069.db2.gz DVCIBXOAEPUHDU-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CC[N@H+](CC(C)C)[C@H]1CC[C@@H]([NH3+])C1 223118166 572803309 /nfs/dbraw/zinc/80/33/09/572803309.db2.gz PVDUBCHJSDZVHP-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[NH2+]CCC[N@H+](CC2CCC2)C1 49665869 572803318 /nfs/dbraw/zinc/80/33/18/572803318.db2.gz BGBBOVYQJYZWBU-LLVKDONJSA-N 2 0 196.338 1.718 10 0 ADAERP C[NH2+][C@@H](C1CC1)C1([NH+](C)C)CCCC1 85752047 572803524 /nfs/dbraw/zinc/80/35/24/572803524.db2.gz RITFGUHRAPUEHN-NSHDSACASA-N 2 0 196.338 1.859 10 0 ADAERP CCOC(C)(C)C[NH2+][C@@H](C)[C@H](C)[NH3+] 308132554 572803739 /nfs/dbraw/zinc/80/37/39/572803739.db2.gz KONZMGXBONDDPQ-IUCAKERBSA-N 2 0 188.315 1.127 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49710319 572803873 /nfs/dbraw/zinc/80/38/73/572803873.db2.gz BZAZVUFGSOFGTF-DCAQKATOSA-N 2 0 184.327 1.843 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@H](C)C[NH3+] 49804659 572803959 /nfs/dbraw/zinc/80/39/59/572803959.db2.gz ZJDWRDRAGOYYJV-DTWKUNHWSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H]1C[N@H+](CC(C)(C)C)CC[C@@H]1[NH3+] 49713166 572804064 /nfs/dbraw/zinc/80/40/64/572804064.db2.gz VOFNCSCKQYGLDX-UWVGGRQHSA-N 2 0 184.327 1.702 10 0 ADAERP COc1c(C[NH3+])cccc1C[NH+](C)C 75068128 572804287 /nfs/dbraw/zinc/80/42/87/572804287.db2.gz IARJPNSJTFDYBV-UHFFFAOYSA-N 2 0 194.278 1.216 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H](C)CC[NH3+] 49804670 572804304 /nfs/dbraw/zinc/80/43/04/572804304.db2.gz NVEUSQADRHCVQA-IUCAKERBSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1[NH3+] 49709166 572804424 /nfs/dbraw/zinc/80/44/24/572804424.db2.gz WJVLROWHAJQXFL-JQWIXIFHSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCC1 49709060 572804637 /nfs/dbraw/zinc/80/46/37/572804637.db2.gz JDBCWZIEKGTJKE-UWVGGRQHSA-N 2 0 182.311 1.741 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCCC1 49709055 572804891 /nfs/dbraw/zinc/80/48/91/572804891.db2.gz JDBCWZIEKGTJKE-NXEZZACHSA-N 2 0 182.311 1.741 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(C)(C)C 49713178 572805076 /nfs/dbraw/zinc/80/50/76/572805076.db2.gz WKTWGVBXJOICCF-UWVGGRQHSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(C)(C)C 49713176 572805101 /nfs/dbraw/zinc/80/51/01/572805101.db2.gz WKTWGVBXJOICCF-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@H](C)C[N@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223118862 572805117 /nfs/dbraw/zinc/80/51/17/572805117.db2.gz LFTLSAAHJFPQBI-HBNTYKKESA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(C)(C)C 49713177 572805126 /nfs/dbraw/zinc/80/51/26/572805126.db2.gz WKTWGVBXJOICCF-ZJUUUORDSA-N 2 0 184.327 1.844 10 0 ADAERP CCC(C)(C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709137 572805149 /nfs/dbraw/zinc/80/51/49/572805149.db2.gz XJWVCTBPKQYKTK-ZJUUUORDSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@H]1C[N@@H+](C2CCCC2)CC[C@@H]1[NH3+] 49709039 572805184 /nfs/dbraw/zinc/80/51/84/572805184.db2.gz ZFQWODGNHWQPMN-ONGXEEELSA-N 2 0 182.311 1.598 10 0 ADAERP C/C=C\C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 308132905 572805309 /nfs/dbraw/zinc/80/53/09/572805309.db2.gz GFVNSGISXHJQJQ-LWTINBJPSA-N 2 0 182.311 1.622 10 0 ADAERP CCC(C)(C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49709138 572805435 /nfs/dbraw/zinc/80/54/35/572805435.db2.gz XJWVCTBPKQYKTK-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+]CCCCCCC[NH2+]CCCF 308133240 572805448 /nfs/dbraw/zinc/80/54/48/572805448.db2.gz GKJYGHZRTJYUEJ-UHFFFAOYSA-N 2 0 190.306 1.845 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])CC1CC1 307941776 572805548 /nfs/dbraw/zinc/80/55/48/572805548.db2.gz CNQFZEOPSAYWBZ-JEZHCXPESA-N 2 0 168.284 1.112 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 49710311 572805579 /nfs/dbraw/zinc/80/55/79/572805579.db2.gz BZAZVUFGSOFGTF-OUAUKWLOSA-N 2 0 184.327 1.843 10 0 ADAERP C[C@@H]1C[N@@H+](C2CCCC2)CC[C@@H]1[NH3+] 49709038 572805655 /nfs/dbraw/zinc/80/56/55/572805655.db2.gz ZFQWODGNHWQPMN-KOLCDFICSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)C[NH2+]C[C@H](C)CC[NH3+] 49804668 572805727 /nfs/dbraw/zinc/80/57/27/572805727.db2.gz GPXVVFQSUGFSJS-SECBINFHSA-N 2 0 158.289 1.217 10 0 ADAERP C[C@@H](C1CC1)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 49711031 572805861 /nfs/dbraw/zinc/80/58/61/572805861.db2.gz IDPHWFFDOPQXAX-WCABBAIRSA-N 2 0 182.311 1.597 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49710313 572805880 /nfs/dbraw/zinc/80/58/80/572805880.db2.gz BZAZVUFGSOFGTF-GARJFASQSA-N 2 0 184.327 1.843 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@@H](C)C[NH3+] 49804657 572805971 /nfs/dbraw/zinc/80/59/71/572805971.db2.gz ZJDWRDRAGOYYJV-RKDXNWHRSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]C[C@@H]([NH3+])CC1CC1 307941769 572806061 /nfs/dbraw/zinc/80/60/61/572806061.db2.gz CNQFZEOPSAYWBZ-FKTZTGRPSA-N 2 0 168.284 1.112 10 0 ADAERP C[C@@H]1C[N@H+](CC(C)(C)C)CC[C@@H]1[NH3+] 49713165 572806194 /nfs/dbraw/zinc/80/61/94/572806194.db2.gz VOFNCSCKQYGLDX-ZJUUUORDSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)C[NH2+]CC[C@@H](C)C[NH3+] 49804655 572806379 /nfs/dbraw/zinc/80/63/79/572806379.db2.gz BHGUQXKUDLXSSV-SECBINFHSA-N 2 0 158.289 1.217 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H](C)CC[NH3+] 49804671 572806670 /nfs/dbraw/zinc/80/66/70/572806670.db2.gz NVEUSQADRHCVQA-RKDXNWHRSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H](CC[NH3+])C[NH+]1CCCC1 49804628 572806676 /nfs/dbraw/zinc/80/66/76/572806676.db2.gz OBBAWGUJOUPHPT-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP C/C=C\C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 308132906 572806724 /nfs/dbraw/zinc/80/67/24/572806724.db2.gz GFVNSGISXHJQJQ-UMCURTJPSA-N 2 0 182.311 1.622 10 0 ADAERP CCC(C)(C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49709151 572806761 /nfs/dbraw/zinc/80/67/61/572806761.db2.gz 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168.284 1.112 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H](C)CC[NH3+] 49804669 572807242 /nfs/dbraw/zinc/80/72/42/572807242.db2.gz NVEUSQADRHCVQA-DTWKUNHWSA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 49710316 572807246 /nfs/dbraw/zinc/80/72/46/572807246.db2.gz BZAZVUFGSOFGTF-VWYCJHECSA-N 2 0 184.327 1.843 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711043 572807329 /nfs/dbraw/zinc/80/73/29/572807329.db2.gz KINLQKGXGZFMSL-JBLDHEPKSA-N 2 0 196.338 1.857 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CC2)[C@H](C)C1 49711040 572807501 /nfs/dbraw/zinc/80/75/01/572807501.db2.gz KINLQKGXGZFMSL-JFGNBEQYSA-N 2 0 196.338 1.857 10 0 ADAERP CCC(CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49709078 572807535 /nfs/dbraw/zinc/80/75/35/572807535.db2.gz KNJZUOBAIQETLJ-MWLCHTKSSA-N 2 0 184.327 1.844 10 0 ADAERP CCC(C)(C)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709153 572807626 /nfs/dbraw/zinc/80/76/26/572807626.db2.gz JZWFBGIVMKMLJO-VHSXEESVSA-N 2 0 184.327 1.987 10 0 ADAERP C[NH+](C)CC1(C[NH3+])CCCCC1 49805001 572809672 /nfs/dbraw/zinc/80/96/72/572809672.db2.gz JJCXDGHKKZKAMQ-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)C[NH2+]CC[C@H](C)C[NH3+] 49804656 572807740 /nfs/dbraw/zinc/80/77/40/572807740.db2.gz BHGUQXKUDLXSSV-VIFPVBQESA-N 2 0 158.289 1.217 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCCC[NH3+] 308138055 572807798 /nfs/dbraw/zinc/80/77/98/572807798.db2.gz PVVHJGREUOHXPT-MXWKQRLJSA-N 2 0 184.327 1.892 10 0 ADAERP [NH3+]CC[C@H]1CCC[N@@H+]1CCCCF 308137972 572807811 /nfs/dbraw/zinc/80/78/11/572807811.db2.gz JMWLIOQRMYEVLL-SNVBAGLBSA-N 2 0 188.290 1.549 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCCC1 49709058 572807820 /nfs/dbraw/zinc/80/78/20/572807820.db2.gz JDBCWZIEKGTJKE-ZJUUUORDSA-N 2 0 182.311 1.741 10 0 ADAERP C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1[NH3+] 49709164 572807929 /nfs/dbraw/zinc/80/79/29/572807929.db2.gz WJVLROWHAJQXFL-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP CCC(CC)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709076 572807999 /nfs/dbraw/zinc/80/79/99/572807999.db2.gz KNJZUOBAIQETLJ-KOLCDFICSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(C)(C)C 49713175 572808022 /nfs/dbraw/zinc/80/80/22/572808022.db2.gz WKTWGVBXJOICCF-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP CCC(CC)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709094 572808039 /nfs/dbraw/zinc/80/80/39/572808039.db2.gz KWVGWCNKKDPRMW-VHSXEESVSA-N 2 0 184.327 1.987 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCCC[NH3+] 308138054 572808313 /nfs/dbraw/zinc/80/83/13/572808313.db2.gz PVVHJGREUOHXPT-HBNTYKKESA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H](C)CC[NH3+] 49804672 572808372 /nfs/dbraw/zinc/80/83/72/572808372.db2.gz NVEUSQADRHCVQA-BDAKNGLRSA-N 2 0 158.289 1.359 10 0 ADAERP CCC[NH2+][C@H]1CN(CC)C[C@@H]1C 307943381 572808398 /nfs/dbraw/zinc/80/83/98/572808398.db2.gz FLMHSGVRANPGJT-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC1CC1 307942530 572808863 /nfs/dbraw/zinc/80/88/63/572808863.db2.gz DEMMTWMLCGSOSY-SCZZXKLOSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 49805795 572809195 /nfs/dbraw/zinc/80/91/95/572809195.db2.gz OHEYVAAGXQUVOY-SNVBAGLBSA-N 2 0 182.311 1.457 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] 308137687 572809416 /nfs/dbraw/zinc/80/94/16/572809416.db2.gz PVVHJGREUOHXPT-AXFHLTTASA-N 2 0 184.327 1.892 10 0 ADAERP CC1CC[NH+](CC(C)(C)C[NH3+])CC1 49805940 572811072 /nfs/dbraw/zinc/81/10/72/572811072.db2.gz GYBODEOMIVHRGG-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[NH2+][C@@H]1CN(CC)C[C@H]1C 307943380 572809760 /nfs/dbraw/zinc/80/97/60/572809760.db2.gz FLMHSGVRANPGJT-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@H]1CCCC[N@@H+]1CC1(C[NH3+])CC1 49805794 572809767 /nfs/dbraw/zinc/80/97/67/572809767.db2.gz FEZUIYUTEUUQNW-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CCCC1C[NH+]([C@@H](C)CCC[NH3+])C1 308138012 572809789 /nfs/dbraw/zinc/80/97/89/572809789.db2.gz JPDCTWNOSQKMHP-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCCC1C[NH+]([C@H](C)CCC[NH3+])C1 308138372 572810042 /nfs/dbraw/zinc/81/00/42/572810042.db2.gz JPDCTWNOSQKMHP-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]([NH3+])CC1CC1 307942533 572810063 /nfs/dbraw/zinc/81/00/63/572810063.db2.gz DEMMTWMLCGSOSY-WPRPVWTQSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]1CCC[N@H+](CC(C)(C)C[NH3+])C1 49805943 572810258 /nfs/dbraw/zinc/81/02/58/572810258.db2.gz CHLROSFWRICUHT-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]Cc1ccco1 49805784 572810432 /nfs/dbraw/zinc/81/04/32/572810432.db2.gz GCUICPSHRPJNPX-VIFPVBQESA-N 2 0 182.267 1.354 10 0 ADAERP [NH3+]CC[C@@H]1CCC[N@@H+]1CCCCF 308137971 572810477 /nfs/dbraw/zinc/81/04/77/572810477.db2.gz JMWLIOQRMYEVLL-JTQLQIEISA-N 2 0 188.290 1.549 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1CC1(C[NH3+])CC1 49805793 572810632 /nfs/dbraw/zinc/81/06/32/572810632.db2.gz FEZUIYUTEUUQNW-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]([NH3+])CC1CC1 307942531 572810647 /nfs/dbraw/zinc/81/06/47/572810647.db2.gz DEMMTWMLCGSOSY-WCBMZHEXSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[NH2+][C@H]1CN(CC)C[C@H]1C 307943383 572810701 /nfs/dbraw/zinc/81/07/01/572810701.db2.gz FLMHSGVRANPGJT-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@H]([NH3+])CC1CC1 307942528 572810767 /nfs/dbraw/zinc/81/07/67/572810767.db2.gz DEMMTWMLCGSOSY-PSASIEDQSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccco1 49805787 572810808 /nfs/dbraw/zinc/81/08/08/572810808.db2.gz DUNPSMFUERQJAA-SECBINFHSA-N 2 0 182.267 1.354 10 0 ADAERP C[C@H]1CCC[N@H+](CC(C)(C)C[NH3+])C1 49805944 572810833 /nfs/dbraw/zinc/81/08/33/572810833.db2.gz CHLROSFWRICUHT-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CCC[NH2+][C@@H]1CN(CC)C[C@@H]1C 307943382 572810856 /nfs/dbraw/zinc/81/08/56/572810856.db2.gz FLMHSGVRANPGJT-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC1CC[NH+](CC2(C[NH3+])CC2)CC1 49805791 572810927 /nfs/dbraw/zinc/81/09/27/572810927.db2.gz BVOZOESEXRURNX-UHFFFAOYSA-N 2 0 182.311 1.457 10 0 ADAERP C[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 49805796 572810970 /nfs/dbraw/zinc/81/09/70/572810970.db2.gz OHEYVAAGXQUVOY-JTQLQIEISA-N 2 0 182.311 1.457 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1CC(C)(C)C[NH3+] 49805941 572811085 /nfs/dbraw/zinc/81/10/85/572811085.db2.gz FLPOSRGZCWJDPH-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1CCCC[N@@H+]1CC(C)(C)C[NH3+] 49805942 572811583 /nfs/dbraw/zinc/81/15/83/572811583.db2.gz FLPOSRGZCWJDPH-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]2C[NH+]3CCC(CC3)[C@H]2C1 75122055 572812112 /nfs/dbraw/zinc/81/21/12/572812112.db2.gz COYYWRJDHYJRAO-IJLUTSLNSA-N 2 0 194.322 1.456 10 0 ADAERP [NH3+][C@@H]1CC[C@H]2C[NH+]3CCC(CC3)[C@@H]2C1 75122054 572812229 /nfs/dbraw/zinc/81/22/29/572812229.db2.gz COYYWRJDHYJRAO-TUAOUCFPSA-N 2 0 194.322 1.456 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]1C 308133595 572812317 /nfs/dbraw/zinc/81/23/17/572812317.db2.gz GPBVYZBEGKSSDV-DCAQKATOSA-N 2 0 184.327 1.748 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]2C[NH+]3CCC(CC3)[C@@H]2C1 75122052 572812475 /nfs/dbraw/zinc/81/24/75/572812475.db2.gz COYYWRJDHYJRAO-UTUOFQBUSA-N 2 0 194.322 1.456 10 0 ADAERP [NH3+][C@@H]1CC[C@H]2C[NH+]3CCC(CC3)[C@H]2C1 75122056 572812584 /nfs/dbraw/zinc/81/25/84/572812584.db2.gz COYYWRJDHYJRAO-QJPTWQEYSA-N 2 0 194.322 1.456 10 0 ADAERP C[C@H](CC[NH+](C)C)[NH2+]C(C)(C)C 307945092 572812887 /nfs/dbraw/zinc/81/28/87/572812887.db2.gz HYDKBOJVRKNOLJ-SECBINFHSA-N 2 0 172.316 1.715 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]Cc1ccccn1 49807269 572813072 /nfs/dbraw/zinc/81/30/72/572813072.db2.gz PGXCGHHFKSMZEF-JTQLQIEISA-N 2 0 193.294 1.156 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]Cc1ccccc1 49806925 572813272 /nfs/dbraw/zinc/81/32/72/572813272.db2.gz UFLIBPVIVXERQC-NSHDSACASA-N 2 0 192.306 1.761 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@@H]1C 308133898 572813353 /nfs/dbraw/zinc/81/33/53/572813353.db2.gz GWUKLAXLDRKMTO-DCAQKATOSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C 308133596 572813403 /nfs/dbraw/zinc/81/34/03/572813403.db2.gz GPBVYZBEGKSSDV-GARJFASQSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccccn1 49807276 572813670 /nfs/dbraw/zinc/81/36/70/572813670.db2.gz VYKYHXOSWPTELY-SNVBAGLBSA-N 2 0 193.294 1.156 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C 308133900 572813763 /nfs/dbraw/zinc/81/37/63/572813763.db2.gz GWUKLAXLDRKMTO-GARJFASQSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CC[C@H]1C 308133598 572813797 /nfs/dbraw/zinc/81/37/97/572813797.db2.gz GPBVYZBEGKSSDV-VWYCJHECSA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1C 308133597 572813852 /nfs/dbraw/zinc/81/38/52/572813852.db2.gz GPBVYZBEGKSSDV-OUAUKWLOSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]Cc1cccnc1 49807271 572813965 /nfs/dbraw/zinc/81/39/65/572813965.db2.gz HISZVQGWRJJCCU-JTQLQIEISA-N 2 0 193.294 1.156 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@H]1C 308133897 572813989 /nfs/dbraw/zinc/81/39/89/572813989.db2.gz GWUKLAXLDRKMTO-AXFHLTTASA-N 2 0 184.327 1.620 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccccc1 49806936 572814426 /nfs/dbraw/zinc/81/44/26/572814426.db2.gz BQTMTDGDHNTZPD-LLVKDONJSA-N 2 0 192.306 1.761 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccncc1 49807280 572814149 /nfs/dbraw/zinc/81/41/49/572814149.db2.gz FVHLIOFRIYAMPM-SNVBAGLBSA-N 2 0 193.294 1.156 10 0 ADAERP C[C@@H](CC[NH+](C)C)[NH2+]C(C)(C)C 307945094 572814202 /nfs/dbraw/zinc/81/42/02/572814202.db2.gz HYDKBOJVRKNOLJ-VIFPVBQESA-N 2 0 172.316 1.715 10 0 ADAERP C[C@H]1[C@H]2CC(C)(C)[NH2+][C@H]2C[C@@H](C)[N@H+]1C 75123406 572814375 /nfs/dbraw/zinc/81/43/75/572814375.db2.gz AMBPVNFHIWYARM-YTWAJWBKSA-N 2 0 196.338 1.856 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1cccnc1 49807278 572814607 /nfs/dbraw/zinc/81/46/07/572814607.db2.gz WTXYLDVJGHNQIF-SNVBAGLBSA-N 2 0 193.294 1.156 10 0 ADAERP C[C@@H]1[C@@H]2[C@@H](CC[N@@H+]1C)[NH2+]CCC2(C)C 75123471 572814757 /nfs/dbraw/zinc/81/47/57/572814757.db2.gz PZHVDHBZTIEFJA-GMTAPVOTSA-N 2 0 196.338 1.715 10 0 ADAERP CC(C)(CCC[NH+]1CCC1)C(N)=[NH2+] 308134908 572814758 /nfs/dbraw/zinc/81/47/58/572814758.db2.gz HNISYGIKHOJQAE-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP Cn1ccc([C@@H]([NH3+])CCC[NH+](C)C)c1 75122848 572814841 /nfs/dbraw/zinc/81/48/41/572814841.db2.gz QHFSDKKIHJWJRG-NSHDSACASA-N 2 0 195.310 1.367 10 0 ADAERP C[C@H]1[C@H]2CC(C)(C)[NH2+][C@@H]2C[C@@H](C)[N@H+]1C 75123390 572814866 /nfs/dbraw/zinc/81/48/66/572814866.db2.gz AMBPVNFHIWYARM-LMLFDSFASA-N 2 0 196.338 1.856 10 0 ADAERP C[N@@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C1 75123462 572814775 /nfs/dbraw/zinc/81/47/75/572814775.db2.gz ZCVBDKGPOXFKNW-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]1[C@H]2CC[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@H+]1C 75123357 572817091 /nfs/dbraw/zinc/81/70/91/572817091.db2.gz UQTALALSFVHPCJ-IYKVGLELSA-N 2 0 196.338 1.843 10 0 ADAERP C[N@@H+]1CCCC[C@H]2[NH2+]CCC(C)(C)[C@H]21 75123442 572815151 /nfs/dbraw/zinc/81/51/51/572815151.db2.gz IDDDNHQQPAZODA-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP C[N@@H+]1CCCC[C@H]2[NH2+]CCC(C)(C)[C@@H]21 75123450 572815273 /nfs/dbraw/zinc/81/52/73/572815273.db2.gz IDDDNHQQPAZODA-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1[C@@H]2CC(C)(C)[NH2+][C@H]2C[C@@H](C)[N@H+]1C 75123387 572815323 /nfs/dbraw/zinc/81/53/23/572815323.db2.gz AMBPVNFHIWYARM-RCWTZXSCSA-N 2 0 196.338 1.856 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@H]1C 308133902 572815368 /nfs/dbraw/zinc/81/53/68/572815368.db2.gz GWUKLAXLDRKMTO-HBNTYKKESA-N 2 0 184.327 1.620 10 0 ADAERP CCC[NH2+]CCCC[NH+]1CCC1 308134137 572815444 /nfs/dbraw/zinc/81/54/44/572815444.db2.gz ZEMUXYKXRMJKDY-UHFFFAOYSA-N 2 0 170.300 1.472 10 0 ADAERP C[N@@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@H]2C1 75123455 572815654 /nfs/dbraw/zinc/81/56/54/572815654.db2.gz ZCVBDKGPOXFKNW-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 75123495 572815687 /nfs/dbraw/zinc/81/56/87/572815687.db2.gz BOQRQONZSVHSHG-WISYIIOYSA-N 2 0 196.338 1.702 10 0 ADAERP CC[NH+](CC)CC[C@@H]([NH3+])CC1CC1 85795271 572815715 /nfs/dbraw/zinc/81/57/15/572815715.db2.gz TUKFWPWJINRWLK-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 75123351 572817168 /nfs/dbraw/zinc/81/71/68/572817168.db2.gz VDCOSMGCNMMWPN-NOOOWODRSA-N 2 0 196.338 1.844 10 0 ADAERP C[N@H+](C[C@H]([NH3+])CC(F)F)C1CCC1 308134098 572815920 /nfs/dbraw/zinc/81/59/20/572815920.db2.gz HAHWREWMBPLPMH-SSDOTTSWSA-N 2 0 192.253 1.453 10 0 ADAERP C[N@@H+]1CCCC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 75123438 572815999 /nfs/dbraw/zinc/81/59/99/572815999.db2.gz IDDDNHQQPAZODA-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP C[N@H+](C[C@@H]([NH3+])CC(F)F)C1CCC1 308134099 572816218 /nfs/dbraw/zinc/81/62/18/572816218.db2.gz HAHWREWMBPLPMH-ZETCQYMHSA-N 2 0 192.253 1.453 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH+](CC)CC 85795099 572816235 /nfs/dbraw/zinc/81/62/35/572816235.db2.gz YKSMLVOLQQOGKS-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP Cn1ccc([C@H]([NH3+])CCC[NH+](C)C)c1 75122845 572816345 /nfs/dbraw/zinc/81/63/45/572816345.db2.gz QHFSDKKIHJWJRG-LLVKDONJSA-N 2 0 195.310 1.367 10 0 ADAERP C[C@H]1[C@@H]2CC(C)(C)[NH2+][C@@H]2C[C@@H](C)[N@H+]1C 75123383 572816549 /nfs/dbraw/zinc/81/65/49/572816549.db2.gz AMBPVNFHIWYARM-VPOLOUISSA-N 2 0 196.338 1.856 10 0 ADAERP C[N@@H+]1CCC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 75123466 572816576 /nfs/dbraw/zinc/81/65/76/572816576.db2.gz ZCVBDKGPOXFKNW-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP C[N@@H+]1CCC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 75123459 572816674 /nfs/dbraw/zinc/81/66/74/572816674.db2.gz ZCVBDKGPOXFKNW-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP C[N@@H+]1CCCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 75123446 572816830 /nfs/dbraw/zinc/81/68/30/572816830.db2.gz IDDDNHQQPAZODA-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1[C@H]2C[C@@H](C[NH3+])C[C@H]2C[C@@H](C)[N@H+]1C 75123503 572817220 /nfs/dbraw/zinc/81/72/20/572817220.db2.gz ZPGIPGHPKNBHNJ-YBXAARCKSA-N 2 0 196.338 1.700 10 0 ADAERP Cn1cccc1[C@H]([NH3+])CCC[NH+](C)C 75122851 572817347 /nfs/dbraw/zinc/81/73/47/572817347.db2.gz IAKSFLZZPQAYLA-SNVBAGLBSA-N 2 0 195.310 1.367 10 0 ADAERP CCC[C@H]([NH3+])CC[NH+](CC)CC 85795097 572817464 /nfs/dbraw/zinc/81/74/64/572817464.db2.gz YKSMLVOLQQOGKS-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP [NH3+]C[C@@H]1CCC[N@H+](CCCCF)C1 238558644 572817807 /nfs/dbraw/zinc/81/78/07/572817807.db2.gz RWRWSZJAMVTLAU-JTQLQIEISA-N 2 0 188.290 1.407 10 0 ADAERP CSCCCC[NH2+][C@H](C)[C@H](C)[NH3+] 308135370 572817833 /nfs/dbraw/zinc/81/78/33/572817833.db2.gz ZNQHKBGYPKGYLG-DTWKUNHWSA-N 2 0 190.356 1.455 10 0 ADAERP CC[NH+](CC)CC[C@@H]([NH2+]C)C(C)C 85795568 572817909 /nfs/dbraw/zinc/81/79/09/572817909.db2.gz QOHCLSQFVSPKCY-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP CC[NH+](CC)CC[C@H]([NH2+]C)C(C)C 85795565 572817999 /nfs/dbraw/zinc/81/79/99/572817999.db2.gz QOHCLSQFVSPKCY-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC[NH+](CC)CC[C@@H]([NH2+]C)C1CC1 85795703 572818022 /nfs/dbraw/zinc/81/80/22/572818022.db2.gz PMFKKVOBMCPOOH-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH+](CC)CC[C@H]([NH2+]C)C1CC1 85795701 572818113 /nfs/dbraw/zinc/81/81/13/572818113.db2.gz PMFKKVOBMCPOOH-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@H](CC[NH+](CC)CC)[NH2+]C 85795482 572818188 /nfs/dbraw/zinc/81/81/88/572818188.db2.gz DIOFICFEOHHURW-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP [NH3+]C[C@@H]1CC[N@H+](CCCCF)C1 238561716 572818401 /nfs/dbraw/zinc/81/84/01/572818401.db2.gz KXEUSHLNSDHBTR-VIFPVBQESA-N 2 0 174.263 1.017 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@]1(C)C[NH2+]C[C@@H]1C 308135882 572818492 /nfs/dbraw/zinc/81/84/92/572818492.db2.gz OGGIQVBVFHEZDF-GARJFASQSA-N 2 0 184.327 1.620 10 0 ADAERP CC[NH+](CC)CC[C@H]([NH3+])CC1CC1 85795267 572819072 /nfs/dbraw/zinc/81/90/72/572819072.db2.gz TUKFWPWJINRWLK-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCC(CC)[N@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223123101 572819170 /nfs/dbraw/zinc/81/91/70/572819170.db2.gz ZKABVLJFVYYSDB-MWLCHTKSSA-N 2 0 184.327 1.987 10 0 ADAERP CCOC(C)(C)C[NH2+]CC(C)(C)[NH3+] 308135142 572819322 /nfs/dbraw/zinc/81/93/22/572819322.db2.gz NKZQJNCKEQFFSM-UHFFFAOYSA-N 2 0 188.315 1.128 10 0 ADAERP CC[C@H](C)[NH2+]C[C@]1(C)C[NH2+]C[C@H]1C 308135888 572820038 /nfs/dbraw/zinc/82/00/38/572820038.db2.gz OGGIQVBVFHEZDF-VWYCJHECSA-N 2 0 184.327 1.620 10 0 ADAERP CSCCCC[NH2+][C@@H](C)[C@H](C)[NH3+] 308135371 572819626 /nfs/dbraw/zinc/81/96/26/572819626.db2.gz ZNQHKBGYPKGYLG-IUCAKERBSA-N 2 0 190.356 1.455 10 0 ADAERP C[C@@H]1C[NH+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C 235264295 572819802 /nfs/dbraw/zinc/81/98/02/572819802.db2.gz KSJSAISZEJEDNR-KKOKHZNYSA-N 2 0 196.338 1.430 10 0 ADAERP CSCCCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 308135369 572820062 /nfs/dbraw/zinc/82/00/62/572820062.db2.gz ZNQHKBGYPKGYLG-BDAKNGLRSA-N 2 0 190.356 1.455 10 0 ADAERP CC[C@H](C)[NH2+]C[C@]1(C)C[NH2+]C[C@@H]1C 308135880 572820132 /nfs/dbraw/zinc/82/01/32/572820132.db2.gz OGGIQVBVFHEZDF-DCAQKATOSA-N 2 0 184.327 1.620 10 0 ADAERP CC[NH2+]CCC12CCC(CC1)[NH2+]2 713542880 572821128 /nfs/dbraw/zinc/82/11/28/572821128.db2.gz AORJXYAMIUHRFP-UHFFFAOYSA-N 2 0 168.284 1.271 10 0 ADAERP C(CC12CCC(CC1)[NH2+]2)[NH2+]C1CC1 713542898 572820991 /nfs/dbraw/zinc/82/09/91/572820991.db2.gz APFXXMKBOIUQAM-UHFFFAOYSA-N 2 0 180.295 1.413 10 0 ADAERP CC(C)[NH2+][C@@H](C)CCC[NH+](C)C 307948426 572821105 /nfs/dbraw/zinc/82/11/05/572821105.db2.gz LUZXERWRPWMSAJ-JTQLQIEISA-N 2 0 172.316 1.715 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCC1CC1 308140213 572821395 /nfs/dbraw/zinc/82/13/95/572821395.db2.gz RTONSFQCGFFFKZ-KOLCDFICSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[N@@H+]1CCC[C@](C)(C[NH3+])C1 688703088 572821463 /nfs/dbraw/zinc/82/14/63/572821463.db2.gz IQSQQPKQAKFTKL-LLVKDONJSA-N 2 0 184.327 1.847 10 0 ADAERP CC(C)[NH2+][C@H](C)CCC[NH+](C)C 307948428 572821485 /nfs/dbraw/zinc/82/14/85/572821485.db2.gz LUZXERWRPWMSAJ-SNVBAGLBSA-N 2 0 172.316 1.715 10 0 ADAERP CCC[C@H](C)N1CC[C@@H]([NH2+]CC)C1 222494735 572821607 /nfs/dbraw/zinc/82/16/07/572821607.db2.gz OXPLSQWIGQXPNH-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCC1CC1 308139803 572821683 /nfs/dbraw/zinc/82/16/83/572821683.db2.gz RTONSFQCGFFFKZ-GXSJLCMTSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C 308144363 572821690 /nfs/dbraw/zinc/82/16/90/572821690.db2.gz NAZZBWZXQWJQNP-GARJFASQSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1C 235263433 572822038 /nfs/dbraw/zinc/82/20/38/572822038.db2.gz XHNNQGOANZOZPJ-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CCCC[N@@H+]1CCC[C@@](C)(C[NH3+])C1 688703093 572822659 /nfs/dbraw/zinc/82/26/59/572822659.db2.gz IQSQQPKQAKFTKL-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP CN1CCC(C)(C)CC(=O)[C@H]1CC[NH3+] 75124720 572822573 /nfs/dbraw/zinc/82/25/73/572822573.db2.gz ZOHQATGWLGKYMP-SECBINFHSA-N 2 0 198.310 1.025 10 0 ADAERP C/C=C\CN(CC)C[C@@H]1CCC[NH2+]1 308140723 572822832 /nfs/dbraw/zinc/82/28/32/572822832.db2.gz SPALILKXCAYNTF-MZBZXASESA-N 2 0 182.311 1.636 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCC1CC1 308140215 572823244 /nfs/dbraw/zinc/82/32/44/572823244.db2.gz RTONSFQCGFFFKZ-MWLCHTKSSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H](CCC[NH+](C)C)[NH+]1CCC1 307947948 572823271 /nfs/dbraw/zinc/82/32/71/572823271.db2.gz LPYYERRNXVADDB-SNVBAGLBSA-N 2 0 170.300 1.422 10 0 ADAERP C/C=C\CN(CC)C[C@H]1CCC[NH2+]1 308140724 572823296 /nfs/dbraw/zinc/82/32/96/572823296.db2.gz SPALILKXCAYNTF-USEMIUTHSA-N 2 0 182.311 1.636 10 0 ADAERP C[NH2+][C@@H](C)c1ccn(CC[NH+](C)C)c1 85837362 572823607 /nfs/dbraw/zinc/82/36/07/572823607.db2.gz PFLUUCUCCOXVII-JTQLQIEISA-N 2 0 195.310 1.330 10 0 ADAERP C[C@@H](CCC[NH+](C)C)[NH+]1CCC1 307947947 572823641 /nfs/dbraw/zinc/82/36/41/572823641.db2.gz LPYYERRNXVADDB-JTQLQIEISA-N 2 0 170.300 1.422 10 0 ADAERP C[NH2+][C@H](C)c1ccn(CC[NH+](C)C)c1 85837365 572823969 /nfs/dbraw/zinc/82/39/69/572823969.db2.gz PFLUUCUCCOXVII-SNVBAGLBSA-N 2 0 195.310 1.330 10 0 ADAERP C[C@@H]([NH3+])c1ccn(CC[NH+](C)C)c1 85836503 572824134 /nfs/dbraw/zinc/82/41/34/572824134.db2.gz SKEZTMMKZFQJBZ-SECBINFHSA-N 2 0 181.283 1.069 10 0 ADAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCC1CC1 308140218 572824239 /nfs/dbraw/zinc/82/42/39/572824239.db2.gz RTONSFQCGFFFKZ-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H](CCC[NH+](C)C)[NH2+]CCF 307950058 572824600 /nfs/dbraw/zinc/82/46/00/572824600.db2.gz NIRYVPCXDKYGLS-SECBINFHSA-N 2 0 176.279 1.276 10 0 ADAERP C1CC([NH2+]CCC23CCC(CC2)[NH2+]3)C1 713550980 572824660 /nfs/dbraw/zinc/82/46/60/572824660.db2.gz VXHADJAEGXQRMD-UHFFFAOYSA-N 2 0 194.322 1.803 10 0 ADAERP Cc1csc2cnc(CCC[NH3+])n12 71478886 572824694 /nfs/dbraw/zinc/82/46/94/572824694.db2.gz GPXFYANFQHJPES-UHFFFAOYSA-N 2 0 195.291 1.596 10 0 ADAERP [NH3+]CCC[C@H]1CC[C@H](CCC[NH3+])O1 238574143 572824850 /nfs/dbraw/zinc/82/48/50/572824850.db2.gz WNKHQKJVXVIYCE-UWVGGRQHSA-N 2 0 186.299 1.012 10 0 ADAERP [NH3+]C[C@H]1CC[N@H+](CCCCF)C1 238557456 572824852 /nfs/dbraw/zinc/82/48/52/572824852.db2.gz KXEUSHLNSDHBTR-SECBINFHSA-N 2 0 174.263 1.017 10 0 ADAERP C[NH2+][C@H](C)c1cccn1CC[NH+](C)C 85835485 572825089 /nfs/dbraw/zinc/82/50/89/572825089.db2.gz OHNRCENUMRCXKJ-SNVBAGLBSA-N 2 0 195.310 1.330 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299892870 572826408 /nfs/dbraw/zinc/82/64/08/572826408.db2.gz FDTDMJYHIBLFMK-USWWRNFRSA-N 2 0 194.322 1.469 10 0 ADAERP CC(C)OCCC[NH2+][C@H](C)[C@@H](C)[NH3+] 308141176 572825319 /nfs/dbraw/zinc/82/53/19/572825319.db2.gz UCDVFVJXCNBQAR-NXEZZACHSA-N 2 0 188.315 1.127 10 0 ADAERP [NH3+]CCC[C@H]1CC=CC[C@H]1C[NH3+] 238573671 572825333 /nfs/dbraw/zinc/82/53/33/572825333.db2.gz RVVYSJFUMZEXGS-ZJUUUORDSA-N 2 0 168.284 1.266 10 0 ADAERP C[NH2+][C@@H](C)c1cccn1CC[NH+](C)C 85835484 572825545 /nfs/dbraw/zinc/82/55/45/572825545.db2.gz OHNRCENUMRCXKJ-JTQLQIEISA-N 2 0 195.310 1.330 10 0 ADAERP [NH3+]CCC[C@H]1CC=CC[C@@H]1C[NH3+] 238573654 572825668 /nfs/dbraw/zinc/82/56/68/572825668.db2.gz RVVYSJFUMZEXGS-NXEZZACHSA-N 2 0 168.284 1.266 10 0 ADAERP CC(C)C[C@H](C[NH3+])C[NH2+]CCCF 308140854 572825948 /nfs/dbraw/zinc/82/59/48/572825948.db2.gz LECSUWVHKHPPJU-SNVBAGLBSA-N 2 0 190.306 1.557 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299892869 572826885 /nfs/dbraw/zinc/82/68/85/572826885.db2.gz FDTDMJYHIBLFMK-ADEWGFFLSA-N 2 0 194.322 1.469 10 0 ADAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCF)C1 308141226 572826016 /nfs/dbraw/zinc/82/60/16/572826016.db2.gz LIAWRSDWAKQWOP-VHSXEESVSA-N 2 0 188.290 1.405 10 0 ADAERP C[C@@H](CCC[NH+](C)C)[NH2+]CCF 307950059 572826043 /nfs/dbraw/zinc/82/60/43/572826043.db2.gz NIRYVPCXDKYGLS-VIFPVBQESA-N 2 0 176.279 1.276 10 0 ADAERP CC(C)C[C@@H](C[NH3+])C[NH2+]CCCF 308140853 572826165 /nfs/dbraw/zinc/82/61/65/572826165.db2.gz LECSUWVHKHPPJU-JTQLQIEISA-N 2 0 190.306 1.557 10 0 ADAERP CC(C)OCCC[NH2+][C@H](C)[C@H](C)[NH3+] 308141178 572826461 /nfs/dbraw/zinc/82/64/61/572826461.db2.gz UCDVFVJXCNBQAR-VHSXEESVSA-N 2 0 188.315 1.127 10 0 ADAERP CC(C)OCCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 308141179 572826703 /nfs/dbraw/zinc/82/67/03/572826703.db2.gz UCDVFVJXCNBQAR-ZJUUUORDSA-N 2 0 188.315 1.127 10 0 ADAERP CC(C)CCN1CCC[C@@H]2C[NH2+]C[C@H]21 299892734 572826829 /nfs/dbraw/zinc/82/68/29/572826829.db2.gz CRMNRHPVQUYXQZ-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP Cc1csc2cnc(CC[NH3+])n12 71478884 572826830 /nfs/dbraw/zinc/82/68/30/572826830.db2.gz DQTUJMZUWNZBJY-UHFFFAOYSA-N 2 0 181.264 1.205 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299892871 572827144 /nfs/dbraw/zinc/82/71/44/572827144.db2.gz FDTDMJYHIBLFMK-YUSALJHKSA-N 2 0 194.322 1.469 10 0 ADAERP C[NH+](C)CC[C@@H](C[NH3+])c1cccnc1 107137075 572827190 /nfs/dbraw/zinc/82/71/90/572827190.db2.gz WESNVRQATBQYFM-JTQLQIEISA-N 2 0 193.294 1.076 10 0 ADAERP CC[C@@H]([NH3+])c1ccn(CC[NH+](C)C)c1 85839390 572827833 /nfs/dbraw/zinc/82/78/33/572827833.db2.gz FUKVHPDEYIHOJD-LLVKDONJSA-N 2 0 195.310 1.460 10 0 ADAERP CC(C)(C)CN1CCC[C@@H]2C[NH2+]C[C@H]21 299893653 572827478 /nfs/dbraw/zinc/82/74/78/572827478.db2.gz NLEZIINOQJIQDH-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@H]([NH3+])c1ccn(CC[NH+](C)C)c1 85839388 572827584 /nfs/dbraw/zinc/82/75/84/572827584.db2.gz FUKVHPDEYIHOJD-NSHDSACASA-N 2 0 195.310 1.460 10 0 ADAERP [NH3+]CCC[C@@H]1CC[C@@H](CCC[NH3+])O1 238572313 572827635 /nfs/dbraw/zinc/82/76/35/572827635.db2.gz WNKHQKJVXVIYCE-NXEZZACHSA-N 2 0 186.299 1.012 10 0 ADAERP CC[NH2+]CCCCC[NH2+]C(C)C 198884348 572827704 /nfs/dbraw/zinc/82/77/04/572827704.db2.gz FHWYQOXVPPEGBB-UHFFFAOYSA-N 2 0 172.316 1.764 10 0 ADAERP [NH3+]CCC[C@@H]1CC=CC[C@H]1C[NH3+] 238571737 572828033 /nfs/dbraw/zinc/82/80/33/572828033.db2.gz RVVYSJFUMZEXGS-UWVGGRQHSA-N 2 0 168.284 1.266 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]1C 308141634 572828829 /nfs/dbraw/zinc/82/88/29/572828829.db2.gz LLTAELNHZWMPEB-HBNTYKKESA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+][C@H]1CC[C@@H]1C 308141630 572829148 /nfs/dbraw/zinc/82/91/48/572829148.db2.gz LLTAELNHZWMPEB-AXFHLTTASA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H](C[NH2+]CCCCF)C1C[NH2+]C1 308141595 572829320 /nfs/dbraw/zinc/82/93/20/572829320.db2.gz UNEJMPIVVGDLSB-SECBINFHSA-N 2 0 188.290 1.181 10 0 ADAERP [NH3+][C@H]1CCc2ccc(-n3ccnc3)cc21 238566103 572829354 /nfs/dbraw/zinc/82/93/54/572829354.db2.gz PQJCGHJRWNEJQB-LBPRGKRZSA-N 2 0 199.257 1.818 10 0 ADAERP C1C[NH2+]C[C@@H](C[NH+]2CC3CC(C3)C2)C1 214779387 572829401 /nfs/dbraw/zinc/82/94/01/572829401.db2.gz CYSMTMAUCYZGTM-UNXYVOJBSA-N 2 0 194.322 1.328 10 0 ADAERP [NH3+]C[C@H]1CC[N@H+](CC[C@@H]2C=CCC2)C1 238569504 572829422 /nfs/dbraw/zinc/82/94/22/572829422.db2.gz WYOBPEZIGWAORS-VXGBXAGGSA-N 2 0 194.322 1.623 10 0 ADAERP C[C@@H](C[NH2+]CCCCF)C1C[NH2+]C1 308141596 572829528 /nfs/dbraw/zinc/82/95/28/572829528.db2.gz UNEJMPIVVGDLSB-VIFPVBQESA-N 2 0 188.290 1.181 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]CCC(F)F 308141852 572829551 /nfs/dbraw/zinc/82/95/51/572829551.db2.gz HSLGSWNSTWXLLJ-SSDOTTSWSA-N 2 0 180.242 1.216 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H](C[NH2+]CC2CC2)C1 713762701 572829694 /nfs/dbraw/zinc/82/96/94/572829694.db2.gz PMDKDHYJGGPAQB-VXGBXAGGSA-N 2 0 196.338 1.751 10 0 ADAERP C[C@@H](CC[NH+](C)C)[C@H]1CCC[NH2+]C1 87973604 572829896 /nfs/dbraw/zinc/82/98/96/572829896.db2.gz MLLWTKCPHQQWFO-QWRGUYRKSA-N 2 0 184.327 1.574 10 0 ADAERP [NH3+]C[C@@H]1CC[N@H+](CC[C@@H]2C=CCC2)C1 238569922 572830020 /nfs/dbraw/zinc/83/00/20/572830020.db2.gz WYOBPEZIGWAORS-NEPJUHHUSA-N 2 0 194.322 1.623 10 0 ADAERP CC(C)c1oc2c(c1C[NH3+])CN(C)C2 214773862 572830562 /nfs/dbraw/zinc/83/05/62/572830562.db2.gz GETPQFSRNNDDMV-UHFFFAOYSA-N 2 0 194.278 1.807 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 404520742 572830688 /nfs/dbraw/zinc/83/06/88/572830688.db2.gz PNWTUTZKZYOPAA-DCAQKATOSA-N 2 0 196.338 1.890 10 0 ADAERP C1CC(C[NH+]2CC3CC(C3)C2)CC[NH2+]1 214779309 572830801 /nfs/dbraw/zinc/83/08/01/572830801.db2.gz KBHPGTWLZQXUPI-UHFFFAOYSA-N 2 0 194.322 1.328 10 0 ADAERP C[C@@H](CC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 87973696 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XTYQRDQPQJXODV-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP C1CCC([N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 299892988 572832055 /nfs/dbraw/zinc/83/20/55/572832055.db2.gz GISBHZUSKJNUHQ-ZYHUDNBSSA-N 2 0 194.322 1.613 10 0 ADAERP C1C[NH2+]C[C@H](C[NH+]2CC3CC(C3)C2)C1 214779439 572832084 /nfs/dbraw/zinc/83/20/84/572832084.db2.gz CYSMTMAUCYZGTM-VOMCLLRMSA-N 2 0 194.322 1.328 10 0 ADAERP C[N@H+](CCC1CC1)C1CCC([NH3+])CC1 85870132 572832086 /nfs/dbraw/zinc/83/20/86/572832086.db2.gz IYNHNJVBDIGHBD-UHFFFAOYSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH2+]CCC(F)F)C1 308142698 572832131 /nfs/dbraw/zinc/83/21/31/572832131.db2.gz IETKDNVNCVJWTL-NKWVEPMBSA-N 2 0 178.226 1.111 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H](C[NH2+]CC2CC2)C1 713762696 572832153 /nfs/dbraw/zinc/83/21/53/572832153.db2.gz PMDKDHYJGGPAQB-NWDGAFQWSA-N 2 0 196.338 1.751 10 0 ADAERP CC[N@H+](C)CC[C@@H](C)[C@@H]1CCC[NH2+]C1 87973621 572832184 /nfs/dbraw/zinc/83/21/84/572832184.db2.gz GWBXJHXIZKUBSD-VXGBXAGGSA-N 2 0 198.354 1.964 10 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C[NH2+]CCCC[NH+]1C[C@@H](C)[C@H](C)C1 86012539 572857250 /nfs/dbraw/zinc/85/72/50/572857250.db2.gz DCTRLLMYCFXYQA-GHMZBOCLSA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]CC(C)(C)C[NH+]1C[C@H](C)[C@@H](C)C1 86012266 572857274 /nfs/dbraw/zinc/85/72/74/572857274.db2.gz KBFHRVAZQKRIJR-QWRGUYRKSA-N 2 0 198.354 1.820 10 0 ADAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[NH2+]CC[C@H]2C)C1 299897634 572857332 /nfs/dbraw/zinc/85/73/32/572857332.db2.gz SAZPJGQBZSCZLB-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP CC[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012460 572857353 /nfs/dbraw/zinc/85/73/53/572857353.db2.gz RTEANMRMYRBJFX-AXFHLTTASA-N 2 0 184.327 1.572 10 0 ADAERP C[NH2+]CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86012448 572857363 /nfs/dbraw/zinc/85/73/63/572857363.db2.gz KEJFXOYEIHZTBB-UTUOFQBUSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+]CCCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012494 572857369 /nfs/dbraw/zinc/85/73/69/572857369.db2.gz NOGRWWPOFPHSKX-TXEJJXNPSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015538 572857380 /nfs/dbraw/zinc/85/73/80/572857380.db2.gz CJNXCWPVIKINHR-YFKTTZPYSA-N 2 0 198.354 1.948 10 0 ADAERP C[C@H]1CC[NH2+][C@@H]1C[NH2+][C@H]1CC[C@@H](C)C1 299897632 572857424 /nfs/dbraw/zinc/85/74/24/572857424.db2.gz SAZPJGQBZSCZLB-NOOOWODRSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@](C)(C[NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86012183 572857462 /nfs/dbraw/zinc/85/74/62/572857462.db2.gz ZSSZKYQAEZUVDK-GRYCIOLGSA-N 2 0 198.354 1.949 10 0 ADAERP CC[NH2+]CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012605 572857480 /nfs/dbraw/zinc/85/74/80/572857480.db2.gz XCBZOYRBGJHYFU-TUAOUCFPSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]CCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012500 572857495 /nfs/dbraw/zinc/85/74/95/572857495.db2.gz CELAGCIEKTUUCB-TXEJJXNPSA-N 2 0 198.354 1.964 10 0 ADAERP CC[C@H](C[NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015134 572857560 /nfs/dbraw/zinc/85/75/60/572857560.db2.gz YIYXUXCRUUJOOB-OUAUKWLOSA-N 2 0 184.327 1.559 10 0 ADAERP CCC[C@@H](C[NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015141 572857609 /nfs/dbraw/zinc/85/76/09/572857609.db2.gz OFHORDDSWFULJM-TUAOUCFPSA-N 2 0 198.354 1.949 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015530 572857644 /nfs/dbraw/zinc/85/76/44/572857644.db2.gz CJNXCWPVIKINHR-NNYUYHANSA-N 2 0 198.354 1.948 10 0 ADAERP CC[NH2+]C[C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 86011416 572857681 /nfs/dbraw/zinc/85/76/81/572857681.db2.gz HQGNXZNJAPZWFA-QJPTWQEYSA-N 2 0 198.354 1.820 10 0 ADAERP CCC[NH2+]C(C)(C)C[C@H](C)[NH3+] 75543894 572857876 /nfs/dbraw/zinc/85/78/76/572857876.db2.gz ZSXVXTYIYICOIO-QMMMGPOBSA-N 2 0 158.289 1.502 10 0 ADAERP CC[NH2+][C@H]1CCN(CCCF)C1 307962950 572858281 /nfs/dbraw/zinc/85/82/81/572858281.db2.gz NOBNLOXFXOOOLY-VIFPVBQESA-N 2 0 174.263 1.030 10 0 ADAERP CCC[NH2+]C(C)(C)C[C@@H](C)[NH3+] 75543892 572858658 /nfs/dbraw/zinc/85/86/58/572858658.db2.gz ZSXVXTYIYICOIO-MRVPVSSYSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@]1(C[NH3+])CCC[N@H+](CCC2CC2)C1 688703732 572858944 /nfs/dbraw/zinc/85/89/44/572858944.db2.gz LJSLCBYGEKSDRP-LBPRGKRZSA-N 2 0 196.338 1.847 10 0 ADAERP CC[NH+](CC)C[C@H]1C=C[C@H]([NH3+])C1 86094084 572864176 /nfs/dbraw/zinc/86/41/76/572864176.db2.gz ASPGHTUYGINVBL-UWVGGRQHSA-N 2 0 168.284 1.232 10 0 ADAERP CC(C)(C)C[C@@H](C[NH3+])C[NH+]1CCC1 308153877 572858991 /nfs/dbraw/zinc/85/89/91/572858991.db2.gz SHNVUGLIKWHSLQ-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H](c1cccn1C)N1CC[C@@H]([NH3+])C1 257585048 572859539 /nfs/dbraw/zinc/85/95/39/572859539.db2.gz IMMISBHDKCFSGM-VHSXEESVSA-N 2 0 193.294 1.119 10 0 ADAERP NC(=[NH2+])SCC[C@@H]1CCCC[NH2+]1 238595541 572859592 /nfs/dbraw/zinc/85/95/92/572859592.db2.gz NMTLHLMVLRYGDR-ZETCQYMHSA-N 2 0 187.312 1.145 10 0 ADAERP C[NH2+][C@@H](CC[NH3+])c1ccccc1 75546366 572859637 /nfs/dbraw/zinc/85/96/37/572859637.db2.gz LTQOBQXUBXPNGL-JTQLQIEISA-N 2 0 164.252 1.296 10 0 ADAERP C[NH2+][C@H](CC[NH3+])c1ccccc1 75546369 572859718 /nfs/dbraw/zinc/85/97/18/572859718.db2.gz LTQOBQXUBXPNGL-SNVBAGLBSA-N 2 0 164.252 1.296 10 0 ADAERP CC(C)(C)C[C@H](C[NH3+])C[NH+]1CCC1 308153878 572859886 /nfs/dbraw/zinc/85/98/86/572859886.db2.gz SHNVUGLIKWHSLQ-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP NC(=[NH2+])SCC[C@H]1CCCC[NH2+]1 238595566 572859964 /nfs/dbraw/zinc/85/99/64/572859964.db2.gz NMTLHLMVLRYGDR-SSDOTTSWSA-N 2 0 187.312 1.145 10 0 ADAERP C/C=C/C[NH2+]C[C@@H](C)C[NH+](C)C 307962844 572860056 /nfs/dbraw/zinc/86/00/56/572860056.db2.gz NNXAUPRYWMFQNO-BRAIEQGRSA-N 2 0 170.300 1.350 10 0 ADAERP CC[C@@H]1C[NH2+]C[C@@H]2CCCC[C@H]2[N@@H+]1C 257585541 572860077 /nfs/dbraw/zinc/86/00/77/572860077.db2.gz NHJPQJZNWNSVJA-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@]1(C[NH3+])CCC[N@H+](CCC2CC2)C1 688703731 572860194 /nfs/dbraw/zinc/86/01/94/572860194.db2.gz LJSLCBYGEKSDRP-GFCCVEGCSA-N 2 0 196.338 1.847 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]([NH3+])CC1CC1 308147755 572860238 /nfs/dbraw/zinc/86/02/38/572860238.db2.gz PDWCSFKNCRRHPG-IEBDPFPHSA-N 2 0 182.311 1.359 10 0 ADAERP CC[NH2+][C@@H]1CCN(CCCF)C1 307962949 572860249 /nfs/dbraw/zinc/86/02/49/572860249.db2.gz NOBNLOXFXOOOLY-SECBINFHSA-N 2 0 174.263 1.030 10 0 ADAERP C/C(=C/[NH+](C)C)C[C@H](C)[NH3+] 211460180 572860269 /nfs/dbraw/zinc/86/02/69/572860269.db2.gz OLTQCAHGIPIDKY-UAPHAKCISA-N 2 0 142.246 1.189 10 0 ADAERP CC(C)[C@@H]1C[NH2+]CC[N@@H+]2CCCC[C@@H]12 257586216 572864426 /nfs/dbraw/zinc/86/44/26/572864426.db2.gz XAFWLYQDHHNNHA-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]1C[C@H]1C[NH2+]C[C@@H]([NH3+])CC1CC1 308147756 572860933 /nfs/dbraw/zinc/86/09/33/572860933.db2.gz PDWCSFKNCRRHPG-LSJOCFKGSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]([NH3+])CC1CC1 308147757 572861000 /nfs/dbraw/zinc/86/10/00/572861000.db2.gz PDWCSFKNCRRHPG-MIMYLULJSA-N 2 0 182.311 1.359 10 0 ADAERP CC(C)[C@H]1C[NH2+]CC[N@@H+]2CCCC[C@@H]12 257586215 572864471 /nfs/dbraw/zinc/86/44/71/572864471.db2.gz XAFWLYQDHHNNHA-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]1C[NH2+]C[C@H]2CCCC[C@H]2[N@@H+]1C 257585540 572861162 /nfs/dbraw/zinc/86/11/62/572861162.db2.gz NHJPQJZNWNSVJA-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H](c1cccn1C)N1CC[C@@H]([NH3+])C1 257585045 572861290 /nfs/dbraw/zinc/86/12/90/572861290.db2.gz IMMISBHDKCFSGM-NXEZZACHSA-N 2 0 193.294 1.119 10 0 ADAERP C[C@H]1C[C@@H]1C[NH2+]C[C@@H]([NH3+])CC1CC1 308147754 572861603 /nfs/dbraw/zinc/86/16/03/572861603.db2.gz PDWCSFKNCRRHPG-GDPRMGEGSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@H]1C[C@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 308154264 572862091 /nfs/dbraw/zinc/86/20/91/572862091.db2.gz SKWODSXNPBXRTF-DCAQKATOSA-N 2 0 182.311 1.232 10 0 ADAERP C[N@@H+]1CC(C)(C)[NH2+]C[C@@H]2CCCC[C@H]21 257586225 572862598 /nfs/dbraw/zinc/86/25/98/572862598.db2.gz XLWYNYJKVSZBJY-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP CCCC[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094169 572865710 /nfs/dbraw/zinc/86/57/10/572865710.db2.gz RZIFYGBAMVCMJW-GHMZBOCLSA-N 2 0 182.311 1.622 10 0 ADAERP C[C@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 308154265 572862872 /nfs/dbraw/zinc/86/28/72/572862872.db2.gz SKWODSXNPBXRTF-GARJFASQSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H](CCCC[NH3+])[N@@H+]1CC[C@H]1C 307964283 572862976 /nfs/dbraw/zinc/86/29/76/572862976.db2.gz PRTZAQVFAPOIAL-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP C[N@@H+]1CC(C)(C)[NH2+]C[C@@H]2CCCC[C@@H]21 257586224 572863079 /nfs/dbraw/zinc/86/30/79/572863079.db2.gz XLWYNYJKVSZBJY-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]([NH3+])/C=C/C[C@@H](C)/C=C/C[NH3+] 75557122 572863139 /nfs/dbraw/zinc/86/31/39/572863139.db2.gz OFIOGVSKFWDQIQ-KMVDSLHTSA-N 2 0 168.284 1.431 10 0 ADAERP CCC[C@@H]1C[C@@H](C[NH+](C)C)C[NH2+]1 75560525 572863260 /nfs/dbraw/zinc/86/32/60/572863260.db2.gz DKGBQCLOSQHOGL-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@H](/C=C/C[NH3+])C/C=C/[C@@H](C)[NH3+] 75557110 572863487 /nfs/dbraw/zinc/86/34/87/572863487.db2.gz OFIOGVSKFWDQIQ-RZTNMEHJSA-N 2 0 168.284 1.431 10 0 ADAERP C[NH2+]C[C@@H](C)CNCc1cscn1 86070734 572865762 /nfs/dbraw/zinc/86/57/62/572865762.db2.gz DTEJJVQLAZZBEE-MRVPVSSYSA-N 2 0 199.323 1.088 10 0 ADAERP C[C@@H]1C[C@H](C[NH2+]C2(C)CCC2)CC[NH2+]1 235370139 572863805 /nfs/dbraw/zinc/86/38/05/572863805.db2.gz BYRPKGUNHMZVMI-GHMZBOCLSA-N 2 0 196.338 1.907 10 0 ADAERP CC[N@H+](CC(C)C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094405 572863854 /nfs/dbraw/zinc/86/38/54/572863854.db2.gz FFTYGYGQWVDDKQ-VXGBXAGGSA-N 2 0 196.338 1.868 10 0 ADAERP CCC[C@@H]1CCC[N@@H+]1CCC[NH3+] 75560506 572864022 /nfs/dbraw/zinc/86/40/22/572864022.db2.gz NTDUIBZHUXWCQW-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CCC[N@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094382 572864054 /nfs/dbraw/zinc/86/40/54/572864054.db2.gz FPBZYMMRZSLTKJ-GHMZBOCLSA-N 2 0 194.322 1.764 10 0 ADAERP CC[NH+](CC)C[C@H]1C=C[C@@H]([NH3+])C1 86094079 572864068 /nfs/dbraw/zinc/86/40/68/572864068.db2.gz ASPGHTUYGINVBL-VHSXEESVSA-N 2 0 168.284 1.232 10 0 ADAERP CCCC[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094166 572864149 /nfs/dbraw/zinc/86/41/49/572864149.db2.gz RZIFYGBAMVCMJW-WDEREUQCSA-N 2 0 182.311 1.622 10 0 ADAERP C[NH2+]C[C@H](C)CNCc1ccc(C)o1 86070677 572864180 /nfs/dbraw/zinc/86/41/80/572864180.db2.gz NBCYBCBAIXALKZ-VIFPVBQESA-N 2 0 196.294 1.533 10 0 ADAERP CCC[C@H]1C[C@@H](C[NH+](C)C)C[NH2+]1 75560529 572864266 /nfs/dbraw/zinc/86/42/66/572864266.db2.gz DKGBQCLOSQHOGL-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[C@@H]1C[C@H](C[NH2+]C2CC2)CC[NH2+]1 235370924 572864275 /nfs/dbraw/zinc/86/42/75/572864275.db2.gz SMQYIKDKFCVEFP-RKDXNWHRSA-N 2 0 168.284 1.127 10 0 ADAERP CCC[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094392 572864308 /nfs/dbraw/zinc/86/43/08/572864308.db2.gz ONBWJQHTCCJQPL-NXEZZACHSA-N 2 0 168.284 1.232 10 0 ADAERP CC[N@H+](CC(C)C)C[C@H]1C=C[C@@H]([NH3+])C1 86094403 572864336 /nfs/dbraw/zinc/86/43/36/572864336.db2.gz FFTYGYGQWVDDKQ-NWDGAFQWSA-N 2 0 196.338 1.868 10 0 ADAERP C/C=C\C[NH2+]CCC[N@H+](C)C(C)C 308154057 572864553 /nfs/dbraw/zinc/86/45/53/572864553.db2.gz NJGUAIUPBCZHRJ-WAYWQWQTSA-N 2 0 184.327 1.882 10 0 ADAERP CC[N@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094340 572864763 /nfs/dbraw/zinc/86/47/63/572864763.db2.gz FIDLPJDLLQKATC-VHSXEESVSA-N 2 0 180.295 1.374 10 0 ADAERP CC[C@H](C)C[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094423 572864787 /nfs/dbraw/zinc/86/47/87/572864787.db2.gz GIBLKVHKRHQWDB-SDDRHHMPSA-N 2 0 196.338 1.868 10 0 ADAERP CCC[C@H]1CCC[N@@H+]1CCC[NH3+] 75560511 572864840 /nfs/dbraw/zinc/86/48/40/572864840.db2.gz NTDUIBZHUXWCQW-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CCC[C@H]1C[C@H](C[NH+](C)C)C[NH2+]1 75560521 572864858 /nfs/dbraw/zinc/86/48/58/572864858.db2.gz DKGBQCLOSQHOGL-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)(C)CC[N@@H+]1CC[C@@](C)([NH3+])C1 405787235 572864865 /nfs/dbraw/zinc/86/48/65/572864865.db2.gz JOCSUHCPQZPUHQ-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094401 572864970 /nfs/dbraw/zinc/86/49/70/572864970.db2.gz DBMDJMMMBWBYSY-GARJFASQSA-N 2 0 182.311 1.620 10 0 ADAERP C[C@@H]([NH3+])/C=C/C[C@@H](C)/C=C/C[NH3+] 75557115 572864982 /nfs/dbraw/zinc/86/49/82/572864982.db2.gz OFIOGVSKFWDQIQ-KTLGGESHSA-N 2 0 168.284 1.431 10 0 ADAERP C[NH2+]C[C@@H](C)CNCc1nccs1 86070564 572865039 /nfs/dbraw/zinc/86/50/39/572865039.db2.gz GONWOTDJKVIHEQ-MRVPVSSYSA-N 2 0 199.323 1.088 10 0 ADAERP CC[NH+](CC)C[C@@H]1C=C[C@@H]([NH3+])C1 86094082 572865055 /nfs/dbraw/zinc/86/50/55/572865055.db2.gz ASPGHTUYGINVBL-NXEZZACHSA-N 2 0 168.284 1.232 10 0 ADAERP CCC[N@H+](CC)C[C@@H]1C=C[C@@H]([NH3+])C1 86094373 572865062 /nfs/dbraw/zinc/86/50/62/572865062.db2.gz NJJPUDSUWMAMJG-GHMZBOCLSA-N 2 0 182.311 1.622 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094397 572865155 /nfs/dbraw/zinc/86/51/55/572865155.db2.gz LKQKXTMOKRILOU-GHMZBOCLSA-N 2 0 182.311 1.478 10 0 ADAERP CCC[C@@H]1C[C@H](C[NH+](C)C)C[NH2+]1 75560517 572865162 /nfs/dbraw/zinc/86/51/62/572865162.db2.gz DKGBQCLOSQHOGL-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CCC[N@@H+]1CC[C@H](CC[NH2+]C)C1 77264171 572865167 /nfs/dbraw/zinc/86/51/67/572865167.db2.gz MDAVVWCUYVPBQJ-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP C[NH2+]C[C@H](C)CNCc1nccs1 86070562 572865274 /nfs/dbraw/zinc/86/52/74/572865274.db2.gz GONWOTDJKVIHEQ-QMMMGPOBSA-N 2 0 199.323 1.088 10 0 ADAERP CC[N@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C(C)C 86094351 572865256 /nfs/dbraw/zinc/86/52/56/572865256.db2.gz MDDOPCNJIMZTLT-WDEREUQCSA-N 2 0 182.311 1.620 10 0 ADAERP C[C@@H]1C[C@@H](C[N@H+]2CC=CCC2)CC[NH2+]1 235380774 572865343 /nfs/dbraw/zinc/86/53/43/572865343.db2.gz CFTYTENJFBSXTF-NEPJUHHUSA-N 2 0 194.322 1.636 10 0 ADAERP C[C@H]([NH3+])/C=C/C[C@H](C)/C=C/C[NH3+] 75557119 572865374 /nfs/dbraw/zinc/86/53/74/572865374.db2.gz OFIOGVSKFWDQIQ-NRWXCFNISA-N 2 0 168.284 1.431 10 0 ADAERP CC[NH+](CC)C[C@@H]1C=C[C@H]([NH3+])C1 86094086 572865454 /nfs/dbraw/zinc/86/54/54/572865454.db2.gz ASPGHTUYGINVBL-ZJUUUORDSA-N 2 0 168.284 1.232 10 0 ADAERP C[NH2+]C[C@@H](C)CNCc1ccc(C)o1 86070679 572865485 /nfs/dbraw/zinc/86/54/85/572865485.db2.gz NBCYBCBAIXALKZ-SECBINFHSA-N 2 0 196.294 1.533 10 0 ADAERP CCC[N@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094379 572865521 /nfs/dbraw/zinc/86/55/21/572865521.db2.gz FPBZYMMRZSLTKJ-WDEREUQCSA-N 2 0 194.322 1.764 10 0 ADAERP CC[N@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094341 572865554 /nfs/dbraw/zinc/86/55/54/572865554.db2.gz FIDLPJDLLQKATC-NXEZZACHSA-N 2 0 180.295 1.374 10 0 ADAERP CCC[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094389 572865647 /nfs/dbraw/zinc/86/56/47/572865647.db2.gz ONBWJQHTCCJQPL-VHSXEESVSA-N 2 0 168.284 1.232 10 0 ADAERP CCC[N@@H+]1CC[C@@H](CC[NH2+]C)C1 77264175 572865695 /nfs/dbraw/zinc/86/56/95/572865695.db2.gz MDAVVWCUYVPBQJ-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP CC[C@H](C)[NH2+]C(C)(C)C[C@@H](C)[NH3+] 75563096 572865806 /nfs/dbraw/zinc/86/58/06/572865806.db2.gz RIHGEIMDTCIVNX-BDAKNGLRSA-N 2 0 172.316 1.890 10 0 ADAERP CC(C)C[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094395 572866122 /nfs/dbraw/zinc/86/61/22/572866122.db2.gz LKQKXTMOKRILOU-WDEREUQCSA-N 2 0 182.311 1.478 10 0 ADAERP C[NH2+]C[C@H](C)CNCc1cscn1 86070731 572866229 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AIALDDRPKHJCFV-UWVGGRQHSA-N 2 0 168.284 1.135 10 0 ADAERP CCCCC1([NH+](C)C)CC[NH2+]CC1 118722929 572867027 /nfs/dbraw/zinc/86/70/27/572867027.db2.gz SCQYUWFSSXYDHX-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]([NH3+])C2)CCO1 235380096 572867171 /nfs/dbraw/zinc/86/71/71/572867171.db2.gz BFLAEYQXWCTWLL-GWOFURMSSA-N 2 0 198.310 1.023 10 0 ADAERP CCC[C@@]1(CC[NH3+])CC[N@H+](C)C1 77264125 572867156 /nfs/dbraw/zinc/86/71/56/572867156.db2.gz BUBSCXNLKZIPNO-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP CC[C@@H](C)[NH2+]C(C)(C)C[C@@H](C)[NH3+] 75563092 572867193 /nfs/dbraw/zinc/86/71/93/572867193.db2.gz RIHGEIMDTCIVNX-RKDXNWHRSA-N 2 0 172.316 1.890 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 86094754 572868654 /nfs/dbraw/zinc/86/86/54/572868654.db2.gz AQEJOGTVPHYCCN-IVZWLZJFSA-N 2 0 168.284 1.278 10 0 ADAERP CC(C)C[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 86094770 572868805 /nfs/dbraw/zinc/86/88/05/572868805.db2.gz AIALDDRPKHJCFV-VHSXEESVSA-N 2 0 168.284 1.135 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094517 572867779 /nfs/dbraw/zinc/86/77/79/572867779.db2.gz QPFOMUYVXDXFPO-JFGNBEQYSA-N 2 0 194.322 1.620 10 0 ADAERP CC[C@@H](C)[NH2+]C(C)(C)C[C@H](C)[NH3+] 75563098 572867803 /nfs/dbraw/zinc/86/78/03/572867803.db2.gz RIHGEIMDTCIVNX-DTWKUNHWSA-N 2 0 172.316 1.890 10 0 ADAERP C[C@H](CCC[NH3+])[NH+]1CC2(CCC2)C1 308155136 572867930 /nfs/dbraw/zinc/86/79/30/572867930.db2.gz SVWZXGSDWVGVSJ-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CCCC[NH2+]C[C@@H]1C=C[C@H]([NH3+])C1 86094848 572867976 /nfs/dbraw/zinc/86/79/76/572867976.db2.gz FSQGLPFTWPVVGP-ZJUUUORDSA-N 2 0 168.284 1.280 10 0 ADAERP CCCC[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 86094841 572868050 /nfs/dbraw/zinc/86/80/50/572868050.db2.gz FSQGLPFTWPVVGP-VHSXEESVSA-N 2 0 168.284 1.280 10 0 ADAERP C[NH2+]CC(C)(C)C[NH2+]C(C)(C)C 75563054 572868088 /nfs/dbraw/zinc/86/80/88/572868088.db2.gz UYDGICYXHJBAMS-UHFFFAOYSA-N 2 0 172.316 1.620 10 0 ADAERP CCCC[NH2+]C[C@H]1C=C[C@H]([NH3+])C1 86094847 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/nfs/dbraw/zinc/86/84/86/572868486.db2.gz RIHGEIMDTCIVNX-IUCAKERBSA-N 2 0 172.316 1.890 10 0 ADAERP C[N@H+](CC1CCC1)C[C@@H]1C=C[C@@H]([NH3+])C1 86095615 572868544 /nfs/dbraw/zinc/86/85/44/572868544.db2.gz HJVGAFZBAKLAAJ-VXGBXAGGSA-N 2 0 194.322 1.622 10 0 ADAERP C[NH2+]C12CC3CC(C1)CC([NH2+]C)(C3)C2 71787920 572868545 /nfs/dbraw/zinc/86/85/45/572868545.db2.gz PKYKQZODQLTTIN-UHFFFAOYSA-N 2 0 194.322 1.517 10 0 ADAERP [NH3+][C@@H]1C=C[C@@H](C[NH2+]CCC2CC2)C1 86096132 572868551 /nfs/dbraw/zinc/86/85/51/572868551.db2.gz JXVCKEHMJBNOBJ-GHMZBOCLSA-N 2 0 180.295 1.280 10 0 ADAERP C[N@H+](CC1CCC1)C[C@H]1C=C[C@@H]([NH3+])C1 86095613 572868873 /nfs/dbraw/zinc/86/88/73/572868873.db2.gz HJVGAFZBAKLAAJ-NWDGAFQWSA-N 2 0 194.322 1.622 10 0 ADAERP CC[N@H+](CC1CC1)C[C@H]1C=C[C@@H]([NH3+])C1 86095904 572868927 /nfs/dbraw/zinc/86/89/27/572868927.db2.gz GUNPKQGKGSROPS-NWDGAFQWSA-N 2 0 194.322 1.622 10 0 ADAERP C[N@H+](C[C@H]1C=C[C@@H]([NH3+])C1)CC(C)(C)C 86095411 572868973 /nfs/dbraw/zinc/86/89/73/572868973.db2.gz RJFWAJNWRFFSJU-WDEREUQCSA-N 2 0 196.338 1.868 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 86096064 572868998 /nfs/dbraw/zinc/86/89/98/572868998.db2.gz SDXMXGAAJFRBCJ-IJLUTSLNSA-N 2 0 196.338 1.772 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1C=C[C@H]([NH3+])C1 86094886 572869049 /nfs/dbraw/zinc/86/90/49/572869049.db2.gz MJDKPEWFZAILQL-UWVGGRQHSA-N 2 0 182.311 1.526 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 86094883 572869077 /nfs/dbraw/zinc/86/90/77/572869077.db2.gz MJDKPEWFZAILQL-NXEZZACHSA-N 2 0 182.311 1.526 10 0 ADAERP CC[N@H+](CC1CC1)C[C@@H]1C=C[C@@H]([NH3+])C1 86095909 572869096 /nfs/dbraw/zinc/86/90/96/572869096.db2.gz GUNPKQGKGSROPS-VXGBXAGGSA-N 2 0 194.322 1.622 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 86094880 572869149 /nfs/dbraw/zinc/86/91/49/572869149.db2.gz MJDKPEWFZAILQL-VHSXEESVSA-N 2 0 182.311 1.526 10 0 ADAERP [NH3+][C@@H]1C=C[C@H](C[NH2+]CCC2CC2)C1 86096130 572869198 /nfs/dbraw/zinc/86/91/98/572869198.db2.gz JXVCKEHMJBNOBJ-WDEREUQCSA-N 2 0 180.295 1.280 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1C=C[C@H]([NH3+])C1 86094889 572869307 /nfs/dbraw/zinc/86/93/07/572869307.db2.gz MJDKPEWFZAILQL-ZJUUUORDSA-N 2 0 182.311 1.526 10 0 ADAERP [NH3+][C@H]1C=C[C@@H](C[NH2+]CCC2CC2)C1 86096137 572869328 /nfs/dbraw/zinc/86/93/28/572869328.db2.gz JXVCKEHMJBNOBJ-MNOVXSKESA-N 2 0 180.295 1.280 10 0 ADAERP CC(C)CC[N@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094978 572869378 /nfs/dbraw/zinc/86/93/78/572869378.db2.gz LFYJCHQOCJOAOH-NWDGAFQWSA-N 2 0 196.338 1.868 10 0 ADAERP C[N@H+](CC1CC1)C[C@H]1C=C[C@@H]([NH3+])C1 86094634 572869464 /nfs/dbraw/zinc/86/94/64/572869464.db2.gz OTXNVCIUIYSMPV-WDEREUQCSA-N 2 0 180.295 1.232 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1CC(F)(F)F 257610535 572869655 /nfs/dbraw/zinc/86/96/55/572869655.db2.gz IIQVSBVJVPZNOX-RNFRBKRXSA-N 2 0 196.216 1.218 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1ccco1 257609174 572871042 /nfs/dbraw/zinc/87/10/42/572871042.db2.gz WHBSXVODVMHPFJ-GXSJLCMTSA-N 2 0 194.278 1.101 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 86094773 572869692 /nfs/dbraw/zinc/86/96/92/572869692.db2.gz AIALDDRPKHJCFV-NXEZZACHSA-N 2 0 168.284 1.135 10 0 ADAERP [NH3+][C@H]1C=C[C@H](C[NH2+]CCC2CC2)C1 86096134 572869921 /nfs/dbraw/zinc/86/99/21/572869921.db2.gz JXVCKEHMJBNOBJ-QWRGUYRKSA-N 2 0 180.295 1.280 10 0 ADAERP CC(C)CC[N@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094980 572869951 /nfs/dbraw/zinc/86/99/51/572869951.db2.gz LFYJCHQOCJOAOH-VXGBXAGGSA-N 2 0 196.338 1.868 10 0 ADAERP CCC[C@@](C)(C[NH2+]C)C[NH+]1CCC1 308157105 572870581 /nfs/dbraw/zinc/87/05/81/572870581.db2.gz USPWBRBIQVAUEM-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP CC(C)[NH2+]C[C@@H]1C[NH+]2CCC1CC2 75576134 572870605 /nfs/dbraw/zinc/87/06/05/572870605.db2.gz HWTPFJWTQOMOOV-LLVKDONJSA-N 2 0 182.311 1.326 10 0 ADAERP CC(C)(CN)[NH2+]CC1CC=CC1 307965992 572870843 /nfs/dbraw/zinc/87/08/43/572870843.db2.gz RBSAFJBVUFEORC-UHFFFAOYSA-N 2 0 168.284 1.280 10 0 ADAERP CCC[NH2+]C[C@@H]1C[NH+]2CCC1CC2 75576136 572871389 /nfs/dbraw/zinc/87/13/89/572871389.db2.gz BSPNMNDTVUGGFJ-LLVKDONJSA-N 2 0 182.311 1.328 10 0 ADAERP CC(C)[NH2+]C[C@H]1C[NH+]2CCC1CC2 75576135 572871306 /nfs/dbraw/zinc/87/13/06/572871306.db2.gz HWTPFJWTQOMOOV-NSHDSACASA-N 2 0 182.311 1.326 10 0 ADAERP CC[NH2+]CCC[NH2+]CCCCF 307967053 572871731 /nfs/dbraw/zinc/87/17/31/572871731.db2.gz SFBYCZODOSPIRY-UHFFFAOYSA-N 2 0 176.279 1.325 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1ccco1 257609175 572871900 /nfs/dbraw/zinc/87/19/00/572871900.db2.gz WHBSXVODVMHPFJ-MWLCHTKSSA-N 2 0 194.278 1.101 10 0 ADAERP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1C1CCCCC1 257609100 572872335 /nfs/dbraw/zinc/87/23/35/572872335.db2.gz QDBVONWYKYEDPA-WHOHXGKFSA-N 2 0 194.322 1.454 10 0 ADAERP C[C@@H](CCCC[NH3+])[NH+]1CC=CC1 307967012 572872140 /nfs/dbraw/zinc/87/21/40/572872140.db2.gz SBPCKUQYNQGRSS-JTQLQIEISA-N 2 0 168.284 1.376 10 0 ADAERP [NH3+]CC1(C[NH2+]CCCCF)CC1 307967031 572872155 /nfs/dbraw/zinc/87/21/55/572872155.db2.gz SDTJCWFHBLZJDB-UHFFFAOYSA-N 2 0 174.263 1.065 10 0 ADAERP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1C1CCCCC1 257609098 572872317 /nfs/dbraw/zinc/87/23/17/572872317.db2.gz QDBVONWYKYEDPA-USZNOCQGSA-N 2 0 194.322 1.454 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+][C@@H]1CCC1(C)C 308155711 572874150 /nfs/dbraw/zinc/87/41/50/572874150.db2.gz TZFFWIGNVAFLKR-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH3+])C1c1ccccc1 75579944 572872646 /nfs/dbraw/zinc/87/26/46/572872646.db2.gz OCDODMYJWGDSLG-QWRGUYRKSA-N 2 0 190.290 1.609 10 0 ADAERP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H](C(C)(C)C)C1 257608964 572872985 /nfs/dbraw/zinc/87/29/85/572872985.db2.gz FIGFWTGTSYLLIV-VHSXEESVSA-N 2 0 184.327 1.702 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH3+])C1c1ccccc1 75579945 572873055 /nfs/dbraw/zinc/87/30/55/572873055.db2.gz OCDODMYJWGDSLG-GHMZBOCLSA-N 2 0 190.290 1.609 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+][C@H]1CCC1(C)C 308155685 572873243 /nfs/dbraw/zinc/87/32/43/572873243.db2.gz TXHFVXLQQUODMF-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H](CCCC[NH3+])[NH+]1CC=CC1 307967013 572873324 /nfs/dbraw/zinc/87/33/24/572873324.db2.gz SBPCKUQYNQGRSS-SNVBAGLBSA-N 2 0 168.284 1.376 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+][C@H]1CCC1(C)C 308155683 572873329 /nfs/dbraw/zinc/87/33/29/572873329.db2.gz TXHFVXLQQUODMF-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+][C@@H]1CCC1(C)C 308155684 572873331 /nfs/dbraw/zinc/87/33/31/572873331.db2.gz TXHFVXLQQUODMF-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP C[N@@H+]1CCC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 257608963 572873471 /nfs/dbraw/zinc/87/34/71/572873471.db2.gz FIGFWTGTSYLLIV-NXEZZACHSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCC2)CC[NH2+]1 235382682 572874090 /nfs/dbraw/zinc/87/40/90/572874090.db2.gz BYRPKGUNHMZVMI-MNOVXSKESA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(F)F 308161020 572874114 /nfs/dbraw/zinc/87/41/14/572874114.db2.gz RGVOMBZZZAXMLU-RNFRBKRXSA-N 2 0 180.242 1.357 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+][C@@H]1CCC1(C)C 308155682 572874370 /nfs/dbraw/zinc/87/43/70/572874370.db2.gz TXHFVXLQQUODMF-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1cccs1 257608912 572874534 /nfs/dbraw/zinc/87/45/34/572874534.db2.gz APEJFUJMCMBZRJ-QRYDPKPESA-N 2 0 194.303 1.308 10 0 ADAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCC1 308155663 572874701 /nfs/dbraw/zinc/87/47/01/572874701.db2.gz TWHZBFWIWPGFIH-NSHDSACASA-N 2 0 184.327 1.859 10 0 ADAERP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1c1cccs1 257608910 572874754 /nfs/dbraw/zinc/87/47/54/572874754.db2.gz APEJFUJMCMBZRJ-NORCUCSASA-N 2 0 194.303 1.308 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+][C@H]1CCC1(C)C 308155712 572874973 /nfs/dbraw/zinc/87/49/73/572874973.db2.gz TZFFWIGNVAFLKR-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@H]1CCN(C2CC2)C[C@@H]1[NH3+] 77270170 572875107 /nfs/dbraw/zinc/87/51/07/572875107.db2.gz AAZYLCQQLPOZKS-ONGXEEELSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@]1(CCC[NH3+])CCC[N@H+](C)C1 77271768 572875917 /nfs/dbraw/zinc/87/59/17/572875917.db2.gz WVKOGKZGHMKCRE-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP CC[C@@]1(CCC[NH3+])CCC[N@H+](C)C1 77271769 572875309 /nfs/dbraw/zinc/87/53/09/572875309.db2.gz WVKOGKZGHMKCRE-LLVKDONJSA-N 2 0 184.327 1.847 10 0 ADAERP CCC[C@H](C[NH3+])C1CC[NH+](C)CC1 77271901 572875379 /nfs/dbraw/zinc/87/53/79/572875379.db2.gz SEFUSSFGNXTPBJ-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)([NH3+])C[NH2+]CCc1ccsc1 308161354 572875531 /nfs/dbraw/zinc/87/55/31/572875531.db2.gz AKXLVXQXPXNCFX-UHFFFAOYSA-N 2 0 198.335 1.618 10 0 ADAERP CCC[C@]1(CC[NH3+])CCC[N@H+](C)C1 77271723 572875732 /nfs/dbraw/zinc/87/57/32/572875732.db2.gz SMPYVTXJJSPFOP-LLVKDONJSA-N 2 0 184.327 1.847 10 0 ADAERP CCC[C@@H]1CCN(C(C)C)C[C@@H]1[NH3+] 77271682 572875755 /nfs/dbraw/zinc/87/57/55/572875755.db2.gz MPJXRMNDHMCMKO-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)[C@@H]1CCN(C(C)C)C[C@@H]1[NH3+] 77271675 572875788 /nfs/dbraw/zinc/87/57/88/572875788.db2.gz IVDJCKYFEWBVHD-QWRGUYRKSA-N 2 0 184.327 1.700 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@H](CC[NH2+]C)C1 77271811 572875855 /nfs/dbraw/zinc/87/58/55/572875855.db2.gz ABWFQNVNHFNRIP-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)C[C@]1(CC[NH3+])CC[N@H+](C)C1 77271703 572875872 /nfs/dbraw/zinc/87/58/72/572875872.db2.gz PUBNSAXOOWKQLR-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]CC[C@H]1CC[N@@H+](C(C)(C)C)C1 77271814 572875901 /nfs/dbraw/zinc/87/59/01/572875901.db2.gz IMVWOCYYQMWVKB-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)[C@H]1CCN(C(C)C)C[C@@H]1[NH3+] 77271677 572875937 /nfs/dbraw/zinc/87/59/37/572875937.db2.gz IVDJCKYFEWBVHD-MNOVXSKESA-N 2 0 184.327 1.700 10 0 ADAERP C[C@@H]1C[C@@H](C[NH2+]C2CC2)CC[NH2+]1 235383227 572876039 /nfs/dbraw/zinc/87/60/39/572876039.db2.gz SMQYIKDKFCVEFP-BDAKNGLRSA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCC1 308155662 572876135 /nfs/dbraw/zinc/87/61/35/572876135.db2.gz TWHZBFWIWPGFIH-LLVKDONJSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[C@@H](C[NH3+])C1CC[NH+](C)CC1 77271895 572876277 /nfs/dbraw/zinc/87/62/77/572876277.db2.gz SEFUSSFGNXTPBJ-NSHDSACASA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[C@H]1CCN(C2CC2)C[C@@H]1[NH3+] 77270161 572876412 /nfs/dbraw/zinc/87/64/12/572876412.db2.gz FCNBOMOUZPEETA-MNOVXSKESA-N 2 0 182.311 1.454 10 0 ADAERP CC(C)Cc1cn(CCC[NH3+])cn1 77269216 572876542 /nfs/dbraw/zinc/87/65/42/572876542.db2.gz XLVZOMWLQINLAC-UHFFFAOYSA-N 2 0 181.283 1.430 10 0 ADAERP CCCC[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 308158573 572876563 /nfs/dbraw/zinc/87/65/63/572876563.db2.gz VIPGKORRQMQGCI-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]CC[C@@H]1CC[N@@H+](C(C)(C)C)C1 77271818 572876567 /nfs/dbraw/zinc/87/65/67/572876567.db2.gz IMVWOCYYQMWVKB-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)C[C@@]1(CC[NH3+])CC[N@H+](C)C1 77271708 572876744 /nfs/dbraw/zinc/87/67/44/572876744.db2.gz PUBNSAXOOWKQLR-LLVKDONJSA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@@H](C)[N@@H+]1CC[C@H](CC[NH2+]C)C1 77271804 572876752 /nfs/dbraw/zinc/87/67/52/572876752.db2.gz ABWFQNVNHFNRIP-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)CCCCCF 308157649 572876839 /nfs/dbraw/zinc/87/68/39/572876839.db2.gz UZXUEZCIGUPAND-SNVBAGLBSA-N 2 0 190.306 1.795 10 0 ADAERP CCC[C@H]1CCN(C(C)C)C[C@@H]1[NH3+] 77271686 572876930 /nfs/dbraw/zinc/87/69/30/572876930.db2.gz MPJXRMNDHMCMKO-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CCC[C@@]1(CC[NH3+])CCC[N@H+](C)C1 77271729 572877018 /nfs/dbraw/zinc/87/70/18/572877018.db2.gz SMPYVTXJJSPFOP-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP CC(C)[C@@H]1CCN(C2CC2)C[C@@H]1[NH3+] 77270158 572877034 /nfs/dbraw/zinc/87/70/34/572877034.db2.gz FCNBOMOUZPEETA-QWRGUYRKSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]([NH3+])CCCC[NH2+][C@H]1CC[C@@H]1C 308157590 572877079 /nfs/dbraw/zinc/87/70/79/572877079.db2.gz UXSZDFHQKVRHGQ-DCAQKATOSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@H]1C 308157592 572877295 /nfs/dbraw/zinc/87/72/95/572877295.db2.gz UXSZDFHQKVRHGQ-OUAUKWLOSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)CCCCCF 308157647 572877376 /nfs/dbraw/zinc/87/73/76/572877376.db2.gz UZXUEZCIGUPAND-JTQLQIEISA-N 2 0 190.306 1.795 10 0 ADAERP C[C@@H](CCC[NH3+])[NH2+]CCC(F)F 308162080 572877641 /nfs/dbraw/zinc/87/76/41/572877641.db2.gz RVJWXMJAOWZZND-ZETCQYMHSA-N 2 0 180.242 1.359 10 0 ADAERP C/C=C\C[N@H+]1CC[C@@](C)(C[NH2+]C)C1 308158205 572877669 /nfs/dbraw/zinc/87/76/69/572877669.db2.gz UKOARABKCQRLFV-WYGGZMRJSA-N 2 0 182.311 1.494 10 0 ADAERP C[C@H]([NH3+])CCCC[NH2+][C@H]1CC[C@H]1C 308157593 572877758 /nfs/dbraw/zinc/87/77/58/572877758.db2.gz UXSZDFHQKVRHGQ-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@H](C)[NH2+]CC[NH2+][C@H]1CC[C@H]1C 308162184 572877916 /nfs/dbraw/zinc/87/79/16/572877916.db2.gz XJAFNJKOXWFDJM-VWYCJHECSA-N 2 0 184.327 1.763 10 0 ADAERP C/C=C\C[N@H+]1CC[C@](C)(C[NH2+]C)C1 308158204 572878355 /nfs/dbraw/zinc/87/83/55/572878355.db2.gz UKOARABKCQRLFV-DOGVGXBMSA-N 2 0 182.311 1.494 10 0 ADAERP C[C@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@@H]1C 308157591 572878532 /nfs/dbraw/zinc/87/85/32/572878532.db2.gz UXSZDFHQKVRHGQ-GARJFASQSA-N 2 0 184.327 1.892 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(C)=[NH2+] 86190298 572880945 /nfs/dbraw/zinc/88/09/45/572880945.db2.gz XEWDTKXNMDLZSE-SNVBAGLBSA-N 2 0 183.299 1.400 10 0 ADAERP CCC(=[NH2+])N(C)C[C@@H]1CCC[N@H+]1CC 86190292 572881361 /nfs/dbraw/zinc/88/13/61/572881361.db2.gz OUEVWKKSHSZAHA-JTQLQIEISA-N 2 0 197.326 1.790 10 0 ADAERP CN(C[C@H]1CCC[N@@H+]1C)C(=[NH2+])C1CC1 86190284 572881445 /nfs/dbraw/zinc/88/14/45/572881445.db2.gz KAXXAWMJJDUTMX-SNVBAGLBSA-N 2 0 195.310 1.400 10 0 ADAERP CCCC(=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1C 86190268 572881476 /nfs/dbraw/zinc/88/14/76/572881476.db2.gz HZFDCPIKMXUGDA-JTQLQIEISA-N 2 0 197.326 1.790 10 0 ADAERP CCCC[N@@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 308158577 572881685 /nfs/dbraw/zinc/88/16/85/572881685.db2.gz VIPGKORRQMQGCI-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)C)CC[NH2+]1 235387429 572881763 /nfs/dbraw/zinc/88/17/63/572881763.db2.gz OXFQLXOZDQZZSL-ZJUUUORDSA-N 2 0 184.327 1.763 10 0 ADAERP CCC(=[NH2+])N(C)C[C@H]1CCC[N@@H+]1C 86190275 572882249 /nfs/dbraw/zinc/88/22/49/572882249.db2.gz GLHJUPBBQIDIAA-SECBINFHSA-N 2 0 183.299 1.400 10 0 ADAERP CC(C)C(=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1C 86190278 572882317 /nfs/dbraw/zinc/88/23/17/572882317.db2.gz KTBAYOJWIVVUKX-JTQLQIEISA-N 2 0 197.326 1.646 10 0 ADAERP CC(C)C(=[NH2+])N(C)C[C@H]1CCC[N@@H+]1C 86190279 572882442 /nfs/dbraw/zinc/88/24/42/572882442.db2.gz KTBAYOJWIVVUKX-SNVBAGLBSA-N 2 0 197.326 1.646 10 0 ADAERP FCCC[NH2+][C@H]1CCC[NH2+]CC1 307969247 572885337 /nfs/dbraw/zinc/88/53/37/572885337.db2.gz VYYCEVSJSDYNCP-VIFPVBQESA-N 2 0 174.263 1.078 10 0 ADAERP CCCC(=[NH2+])N(C)C[C@H]1CCC[N@@H+]1C 86190269 572882705 /nfs/dbraw/zinc/88/27/05/572882705.db2.gz HZFDCPIKMXUGDA-SNVBAGLBSA-N 2 0 197.326 1.790 10 0 ADAERP C[C@@H](CC(F)F)[NH2+]C1CC([NH3+])C1 308165693 572882855 /nfs/dbraw/zinc/88/28/55/572882855.db2.gz UPSODWOHRQGCQB-VTSJMVTISA-N 2 0 178.226 1.109 10 0 ADAERP C[C@@H](CNC/C=C/Cl)C[NH+](C)C 307972014 572882979 /nfs/dbraw/zinc/88/29/79/572882979.db2.gz YUFAVUFHJKHAPC-MOVJSRMASA-N 2 0 190.718 1.526 10 0 ADAERP C[C@H](CC[NH3+])CCC[NH2+]CCCF 308162514 572883072 /nfs/dbraw/zinc/88/30/72/572883072.db2.gz XNPZTHSKZMVODC-JTQLQIEISA-N 2 0 190.306 1.701 10 0 ADAERP CCC(=[NH2+])N(C)C[C@H]1CCC[N@H+]1CC 86190294 572883656 /nfs/dbraw/zinc/88/36/56/572883656.db2.gz OUEVWKKSHSZAHA-SNVBAGLBSA-N 2 0 197.326 1.790 10 0 ADAERP C[C@@H](C[NH2+]C1CC1)[C@@H](C)[NH+]1CCC1 308160770 572883690 /nfs/dbraw/zinc/88/36/90/572883690.db2.gz WSXKEFYGJUWWTI-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)[NH2+]C[C@@H](C)[NH2+]CC1(C)CC1 308165542 572883747 /nfs/dbraw/zinc/88/37/47/572883747.db2.gz ZFYBZBTZNXDBFU-SNVBAGLBSA-N 2 0 184.327 1.763 10 0 ADAERP CCC(=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1C 86190271 572883784 /nfs/dbraw/zinc/88/37/84/572883784.db2.gz 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SVVSHWNMBUPMKN-UHFFFAOYSA-N 2 0 198.354 1.997 10 0 ADAERP CC1(C)C(C[NH2+]CC2([NH3+])CC2)C1(C)C 86241015 572898898 /nfs/dbraw/zinc/89/88/98/572898898.db2.gz UNYMDRSYJXOPFA-UHFFFAOYSA-N 2 0 196.338 1.750 10 0 ADAERP CC(C)CC[N@H+](C)[C@H](C)[C@H](C)C[NH3+] 252593335 572898942 /nfs/dbraw/zinc/89/89/42/572898942.db2.gz FSMBUFZUSQYJLN-GHMZBOCLSA-N 2 0 186.343 1.948 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241115 572898955 /nfs/dbraw/zinc/89/89/55/572898955.db2.gz YWPMRWOSCWLJLA-QMMMGPOBSA-N 2 0 184.327 1.605 10 0 ADAERP CC1(C)C([NH2+]CCCC[NH3+])C1(C)C 86241278 572899104 /nfs/dbraw/zinc/89/91/04/572899104.db2.gz FVBYTYPDMFYIKY-UHFFFAOYSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CC1C(C)(C)C1(C)C 86241032 572899115 /nfs/dbraw/zinc/89/91/15/572899115.db2.gz DSEXGSWQSKTKQJ-QMMMGPOBSA-N 2 0 184.327 1.605 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241157 572899142 /nfs/dbraw/zinc/89/91/42/572899142.db2.gz FBHXSOXCJNQJSF-VIFPVBQESA-N 2 0 198.354 1.996 10 0 ADAERP 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182.311 1.326 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+]CC1C(C)(C)C1(C)C 86240996 572899736 /nfs/dbraw/zinc/89/97/36/572899736.db2.gz YSPLNRULWFLVSD-VIFPVBQESA-N 2 0 198.354 1.853 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CC1C(C)(C)C1(C)C 86241062 572899805 /nfs/dbraw/zinc/89/98/05/572899805.db2.gz YRZNKTOOHLJLIZ-SECBINFHSA-N 2 0 198.354 1.996 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241224 572899857 /nfs/dbraw/zinc/89/98/57/572899857.db2.gz IMPBVQNRPUIMCZ-MRVPVSSYSA-N 2 0 184.327 1.748 10 0 ADAERP CCC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 308177339 572899963 /nfs/dbraw/zinc/89/99/63/572899963.db2.gz BIWBXBYVOPCNAJ-WDEREUQCSA-N 2 0 184.327 1.907 10 0 ADAERP CC[C@H]([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241223 572899979 /nfs/dbraw/zinc/89/99/79/572899979.db2.gz IMPBVQNRPUIMCZ-QMMMGPOBSA-N 2 0 184.327 1.748 10 0 ADAERP C[N@@H+]1CCCC[C@@H]2C[C@H]([NH3+])CC[C@@H]21 257621624 572900005 /nfs/dbraw/zinc/90/00/05/572900005.db2.gz MOEFDOJYJNSBGG-MXWKQRLJSA-N 2 0 182.311 1.598 10 0 ADAERP 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ADAERP CCC[C@@H]([NH3+])CC[NH2+]CCCCF 308177277 572900434 /nfs/dbraw/zinc/90/04/34/572900434.db2.gz BHEOARXYRWZRHA-SNVBAGLBSA-N 2 0 190.306 1.843 10 0 ADAERP C[C@H]1CCN(C)C[C@@H]2[NH2+][C@H](C)C[C@H]12 257621617 572900496 /nfs/dbraw/zinc/90/04/96/572900496.db2.gz LLQHZXYNIHRALH-ZDCRXTMVSA-N 2 0 182.311 1.325 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+]CCCCF 308177276 572900605 /nfs/dbraw/zinc/90/06/05/572900605.db2.gz BHEOARXYRWZRHA-JTQLQIEISA-N 2 0 190.306 1.843 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC1(C)C 235395196 572900721 /nfs/dbraw/zinc/90/07/21/572900721.db2.gz XPSAYRHZLRCMAD-VWYCJHECSA-N 2 0 196.338 1.844 10 0 ADAERP C[N@@H+]1CCCC[C@@H]2C[C@@H]([NH3+])CC[C@H]21 257621626 572900910 /nfs/dbraw/zinc/90/09/10/572900910.db2.gz MOEFDOJYJNSBGG-OUAUKWLOSA-N 2 0 182.311 1.598 10 0 ADAERP CCCC[N@H+](C)CCCOCC[NH3+] 308172976 572900980 /nfs/dbraw/zinc/90/09/80/572900980.db2.gz DFEROTDUIJEWIS-UHFFFAOYSA-N 2 0 188.315 1.084 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 257621537 572901050 /nfs/dbraw/zinc/90/10/50/572901050.db2.gz DUJWJJPEQAKTFU-VPOLOUISSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1CC[N@H+](C)CC[C@H]1CCC[NH3+] 257621506 572901106 /nfs/dbraw/zinc/90/11/06/572901106.db2.gz ACCJTDMHYWZNHT-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1CC[N@H+](C)C[C@@H]2C[C@@H]([NH3+])C[C@H]12 257621635 572901132 /nfs/dbraw/zinc/90/11/32/572901132.db2.gz NDLFVJBPTUPRHD-LMLFDSFASA-N 2 0 182.311 1.312 10 0 ADAERP C[C@H]1CC[N@H+](C)CC[C@H]1CCC[NH3+] 257621507 572901173 /nfs/dbraw/zinc/90/11/73/572901173.db2.gz ACCJTDMHYWZNHT-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]1 308177336 572901185 /nfs/dbraw/zinc/90/11/85/572901185.db2.gz BIWBXBYVOPCNAJ-MNOVXSKESA-N 2 0 184.327 1.907 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]2C[C@H]([NH3+])C[C@H]2C1 257621536 572901199 /nfs/dbraw/zinc/90/11/99/572901199.db2.gz DUJWJJPEQAKTFU-GWOFURMSSA-N 2 0 182.311 1.454 10 0 ADAERP C[N@H+](CC1CC1)CC(C)(C)CC[NH3+] 308181430 572901334 /nfs/dbraw/zinc/90/13/34/572901334.db2.gz HLCLBDITYBAYLB-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H](CC[NH3+])[N@H+](C)CCCCCF 308177663 572901344 /nfs/dbraw/zinc/90/13/44/572901344.db2.gz GAHRPUIEKYZCGH-SNVBAGLBSA-N 2 0 190.306 1.795 10 0 ADAERP [NH3+][C@@H](CNCCF)c1ccccc1 308177914 572901562 /nfs/dbraw/zinc/90/15/62/572901562.db2.gz GDEVDJRUFCOERM-JTQLQIEISA-N 2 0 182.242 1.246 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+]CCC(F)F 308173367 572901641 /nfs/dbraw/zinc/90/16/41/572901641.db2.gz XWISXQRZSKNQNR-ZETCQYMHSA-N 2 0 180.242 1.359 10 0 ADAERP C[C@@H](CC[NH3+])[N@H+](C)CCCCCF 308177658 572901672 /nfs/dbraw/zinc/90/16/72/572901672.db2.gz GAHRPUIEKYZCGH-JTQLQIEISA-N 2 0 190.306 1.795 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1C[C@H](C)[C@@H]1C 308178076 572901859 /nfs/dbraw/zinc/90/18/59/572901859.db2.gz DPQDIRWVYNASSN-GARJFASQSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@H](C[NH3+])CC[NH+]1CCCC1 87989121 572902071 /nfs/dbraw/zinc/90/20/71/572902071.db2.gz QKYDOGHCTCTIJR-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1C[C@H](C)[C@H]1C 308178090 572902195 /nfs/dbraw/zinc/90/21/95/572902195.db2.gz DPQDIRWVYNASSN-HBNTYKKESA-N 2 0 184.327 1.572 10 0 ADAERP CC(C)c1ncc2n1CC[N@@H+](C)C2 75839112 572902247 /nfs/dbraw/zinc/90/22/47/572902247.db2.gz OCMVKKHWORRUGR-UHFFFAOYSA-N 2 0 179.267 1.452 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272579 572902541 /nfs/dbraw/zinc/90/25/41/572902541.db2.gz PBNOFZYTQSZZRT-MNOVXSKESA-N 2 0 184.327 1.572 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+](C)CC1CCC1 86273088 572902487 /nfs/dbraw/zinc/90/24/87/572902487.db2.gz MPILFPHDUUHJLR-CMPLNLGQSA-N 2 0 196.338 1.716 10 0 ADAERP [NH3+][C@H](CNCCF)c1ccccc1 308177919 572902598 /nfs/dbraw/zinc/90/25/98/572902598.db2.gz GDEVDJRUFCOERM-SNVBAGLBSA-N 2 0 182.242 1.246 10 0 ADAERP CC[NH2+]CC[C@H](CC[NH3+])C(F)(F)F 308181403 572902549 /nfs/dbraw/zinc/90/25/49/572902549.db2.gz HKGCVZWBOPMHQE-ZETCQYMHSA-N 2 0 198.232 1.513 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)[C@@H](C)C1CC1 86272638 572902697 /nfs/dbraw/zinc/90/26/97/572902697.db2.gz HXYKQYNNJQGDOB-JBLDHEPKSA-N 2 0 196.338 1.715 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86273080 572902766 /nfs/dbraw/zinc/90/27/66/572902766.db2.gz NXTUEEPTGXGNRX-HBNTYKKESA-N 2 0 184.327 1.620 10 0 ADAERP CCCC[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 86272755 572902862 /nfs/dbraw/zinc/90/28/62/572902862.db2.gz WKRGFKYHRCKKMG-ZJUUUORDSA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)N1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 250483835 572902912 /nfs/dbraw/zinc/90/29/12/572902912.db2.gz DHHNCMOIWAXKRF-QWRGUYRKSA-N 2 0 196.338 1.715 10 0 ADAERP CC(C)CC[N@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272812 572902919 /nfs/dbraw/zinc/90/29/19/572902919.db2.gz BTONQFJCRLRXTA-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]CC(C)(C)C 86272773 572902927 /nfs/dbraw/zinc/90/29/27/572902927.db2.gz GXGPXJKOMNVTBZ-NXEZZACHSA-N 2 0 184.327 1.620 10 0 ADAERP CCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272491 572902930 /nfs/dbraw/zinc/90/29/30/572902930.db2.gz OSHHDJNSTWEUME-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 86273259 572902976 /nfs/dbraw/zinc/90/29/76/572902976.db2.gz JNPZEISSAKBSLD-UTUOFQBUSA-N 2 0 198.354 1.866 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+](C)CC(C)(C)C 86273004 572903302 /nfs/dbraw/zinc/90/33/02/572903302.db2.gz QGAJDOVWSKPUSY-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272642 572903032 /nfs/dbraw/zinc/90/30/32/572903032.db2.gz BMEKBVMFJJNIIQ-SDDRHHMPSA-N 2 0 198.354 1.961 10 0 ADAERP CC[C@H](C[NH3+])CC[NH+](CC)CC 87989129 572903045 /nfs/dbraw/zinc/90/30/45/572903045.db2.gz REQYNOCTHPPFBJ-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1C[C@@H](C)[C@H]1C 308178082 572903059 /nfs/dbraw/zinc/90/30/59/572903059.db2.gz DPQDIRWVYNASSN-GMTAPVOTSA-N 2 0 184.327 1.572 10 0 ADAERP C[C@@H](C[NH3+])CC[N@@H+]1CCC[C@@H](C)C1 87989163 572903070 /nfs/dbraw/zinc/90/30/70/572903070.db2.gz CEEMPFGVWQKWMT-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H]1CCCC[N@H+]1CC[C@@H](C)C[NH3+] 87989135 572903086 /nfs/dbraw/zinc/90/30/86/572903086.db2.gz MOLPAEHOYGMKIO-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1C[C@@H](C)[C@@H]1C 308178094 572903095 /nfs/dbraw/zinc/90/30/95/572903095.db2.gz DPQDIRWVYNASSN-OUAUKWLOSA-N 2 0 184.327 1.572 10 0 ADAERP CC(C)C[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272581 572903166 /nfs/dbraw/zinc/90/31/66/572903166.db2.gz PBNOFZYTQSZZRT-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[N@H+](C)CC(C)(C)C 86273005 572903176 /nfs/dbraw/zinc/90/31/76/572903176.db2.gz QGAJDOVWSKPUSY-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86273261 572903589 /nfs/dbraw/zinc/90/35/89/572903589.db2.gz JNPZEISSAKBSLD-IJLUTSLNSA-N 2 0 198.354 1.866 10 0 ADAERP C[C@@H](C[NH3+])CC[N@@H+]1CCCC[C@H]1C 87989134 572903346 /nfs/dbraw/zinc/90/33/46/572903346.db2.gz MOLPAEHOYGMKIO-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC[N@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272810 572903347 /nfs/dbraw/zinc/90/33/47/572903347.db2.gz BTONQFJCRLRXTA-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[N@H+](CC1CC1)C[C@@H]1CC[NH2+][C@@H]1C 86273206 572903387 /nfs/dbraw/zinc/90/33/87/572903387.db2.gz SOZHBBHFOQAJGA-PWSUYJOCSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@H+](C)CC1CC1 86272687 572903436 /nfs/dbraw/zinc/90/34/36/572903436.db2.gz RPQWAWRESUTCKR-KOLCDFICSA-N 2 0 182.311 1.326 10 0 ADAERP CC(C)N1CC[C@@H]2[C@H](C1)[NH2+]CC2(C)C 250483833 572903567 /nfs/dbraw/zinc/90/35/67/572903567.db2.gz DHHNCMOIWAXKRF-MNOVXSKESA-N 2 0 196.338 1.715 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 86272724 572903573 /nfs/dbraw/zinc/90/35/73/572903573.db2.gz IEDLPJFBKMTTNE-AEJSXWLSSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@H+](C)CC(C)(C)C 86273003 572903579 /nfs/dbraw/zinc/90/35/79/572903579.db2.gz QGAJDOVWSKPUSY-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP CCCC[NH2+]C[C@@H]1CC[NH2+][C@H]1C 86272757 572904469 /nfs/dbraw/zinc/90/44/69/572904469.db2.gz WKRGFKYHRCKKMG-UWVGGRQHSA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@@H](C[NH3+])CC[NH+](CC)CC 87989131 572904058 /nfs/dbraw/zinc/90/40/58/572904058.db2.gz REQYNOCTHPPFBJ-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86273202 572904066 /nfs/dbraw/zinc/90/40/66/572904066.db2.gz PFWXTZOYDLXLTJ-WISYIIOYSA-N 2 0 196.338 1.572 10 0 ADAERP CCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272577 572904075 /nfs/dbraw/zinc/90/40/75/572904075.db2.gz UVGAXDUIACQTOL-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@@H](C[NH3+])CC[NH+]1CCCC1 87989123 572904080 /nfs/dbraw/zinc/90/40/80/572904080.db2.gz QKYDOGHCTCTIJR-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272639 572904136 /nfs/dbraw/zinc/90/41/36/572904136.db2.gz BMEKBVMFJJNIIQ-WOPDTQHZSA-N 2 0 198.354 1.961 10 0 ADAERP CC[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86272726 572904171 /nfs/dbraw/zinc/90/41/71/572904171.db2.gz IEDLPJFBKMTTNE-IVZWLZJFSA-N 2 0 170.300 1.373 10 0 ADAERP CCCC[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86272756 572904195 /nfs/dbraw/zinc/90/41/95/572904195.db2.gz WKRGFKYHRCKKMG-NXEZZACHSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+](C)CC1CC1 86272690 572904197 /nfs/dbraw/zinc/90/41/97/572904197.db2.gz RPQWAWRESUTCKR-GXSJLCMTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]CC(C)(C)C 86272771 572904225 /nfs/dbraw/zinc/90/42/25/572904225.db2.gz GXGPXJKOMNVTBZ-ZJUUUORDSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[C@@H](C)[NH2+]CC(C)(C)C[NH3+] 308179303 572904277 /nfs/dbraw/zinc/90/42/77/572904277.db2.gz GOOMTMXNDJTRQO-SNVBAGLBSA-N 2 0 186.343 1.996 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[NH2+][C@H]1C 86272732 572905100 /nfs/dbraw/zinc/90/51/00/572905100.db2.gz DOHVKEAZRXVLEV-UWVGGRQHSA-N 2 0 170.300 1.230 10 0 ADAERP CC[N@H+](C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 86272557 572904284 /nfs/dbraw/zinc/90/42/84/572904284.db2.gz SHIICYNZEYUJOZ-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 86273078 572904314 /nfs/dbraw/zinc/90/43/14/572904314.db2.gz NXTUEEPTGXGNRX-AXFHLTTASA-N 2 0 184.327 1.620 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CC(C)(C)C 86272774 572904316 /nfs/dbraw/zinc/90/43/16/572904316.db2.gz GXGPXJKOMNVTBZ-VHSXEESVSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CC[NH2+][C@H]1C 86272734 572904338 /nfs/dbraw/zinc/90/43/38/572904338.db2.gz DOHVKEAZRXVLEV-VHSXEESVSA-N 2 0 170.300 1.230 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272584 572904347 /nfs/dbraw/zinc/90/43/47/572904347.db2.gz SBCAOCQBGRZQAY-AXFHLTTASA-N 2 0 184.327 1.715 10 0 ADAERP C[C@H](CC[NH3+])CCC[NH+]1CC=CC1 308179527 572904359 /nfs/dbraw/zinc/90/43/59/572904359.db2.gz WPTIQBZKSPPGOJ-NSHDSACASA-N 2 0 182.311 1.623 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86272733 572904378 /nfs/dbraw/zinc/90/43/78/572904378.db2.gz DOHVKEAZRXVLEV-NXEZZACHSA-N 2 0 170.300 1.230 10 0 ADAERP CC(C)C[N@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272582 572904385 /nfs/dbraw/zinc/90/43/85/572904385.db2.gz PBNOFZYTQSZZRT-WDEREUQCSA-N 2 0 184.327 1.572 10 0 ADAERP CC[N@H+](CC1CC1)C[C@H]1CC[NH2+][C@@H]1C 86273207 572904400 /nfs/dbraw/zinc/90/44/00/572904400.db2.gz SOZHBBHFOQAJGA-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272640 572904422 /nfs/dbraw/zinc/90/44/22/572904422.db2.gz BMEKBVMFJJNIIQ-SRVKXCTJSA-N 2 0 198.354 1.961 10 0 ADAERP COc1c[nH+]c(C)cc1NC[C@@H](C)[NH3+] 234893004 572904464 /nfs/dbraw/zinc/90/44/64/572904464.db2.gz GILFVKUSJVNYNJ-SSDOTTSWSA-N 2 0 195.266 1.158 10 0 ADAERP CC(C)[NH2+]CC[C@@H](C)[NH+]1CC=CC1 308178506 572904559 /nfs/dbraw/zinc/90/45/59/572904559.db2.gz UNSZDHHHMRZDEL-LLVKDONJSA-N 2 0 182.311 1.635 10 0 ADAERP CC[NH+](CC)C[C@@H]1CC[NH2+][C@H]1C 86272456 572904593 /nfs/dbraw/zinc/90/45/93/572904593.db2.gz XSJFOYBHPQZIKY-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@H]1C 86273262 572905128 /nfs/dbraw/zinc/90/51/28/572905128.db2.gz JNPZEISSAKBSLD-GRYCIOLGSA-N 2 0 198.354 1.866 10 0 ADAERP CC1(C[NH2+]C[C@H]([NH3+])CC2CC2)CC1 308179749 572904691 /nfs/dbraw/zinc/90/46/91/572904691.db2.gz GRVQXSLRHJCLGL-SNVBAGLBSA-N 2 0 182.311 1.504 10 0 ADAERP C[C@@H](CC[NH3+])CCC[NH+]1CC=CC1 308179526 572905132 /nfs/dbraw/zinc/90/51/32/572905132.db2.gz WPTIQBZKSPPGOJ-LLVKDONJSA-N 2 0 182.311 1.623 10 0 ADAERP CC[N@H+](C[C@H]1CC[NH2+][C@@H]1C)C(C)C 86272564 572904744 /nfs/dbraw/zinc/90/47/44/572904744.db2.gz ARHPJGKGSQSURM-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP CCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272492 572904890 /nfs/dbraw/zinc/90/48/90/572904890.db2.gz OSHHDJNSTWEUME-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)CC[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272811 572905144 /nfs/dbraw/zinc/90/51/44/572905144.db2.gz BTONQFJCRLRXTA-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[N@H+](C)CC1CCC1 86273087 572904933 /nfs/dbraw/zinc/90/49/33/572904933.db2.gz MPILFPHDUUHJLR-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H](CCC[NH3+])[NH2+]Cc1ccoc1 308179440 572904942 /nfs/dbraw/zinc/90/49/42/572904942.db2.gz BZVRIFNNTFXULA-SECBINFHSA-N 2 0 182.267 1.497 10 0 ADAERP C[C@@H]([NH3+])c1cccc(C[NH+](C)C)c1 75845044 572904994 /nfs/dbraw/zinc/90/49/94/572904994.db2.gz ZYMQNVMIYKXZBH-SECBINFHSA-N 2 0 178.279 1.768 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@H+](C)CC1CCC1 86273085 572905003 /nfs/dbraw/zinc/90/50/03/572905003.db2.gz MPILFPHDUUHJLR-PWSUYJOCSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]([NH3+])c1ccc(F)c(C(N)=[NH2+])c1 75845417 572905011 /nfs/dbraw/zinc/90/50/11/572905011.db2.gz LWAMYRMGXFSXLF-RXMQYKEDSA-N 2 0 181.214 1.129 10 0 ADAERP CC(C)[NH2+]CC[C@H](C)[NH+]1CC=CC1 308178514 572905012 /nfs/dbraw/zinc/90/50/12/572905012.db2.gz UNSZDHHHMRZDEL-NSHDSACASA-N 2 0 182.311 1.635 10 0 ADAERP CC(C)C[N@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272580 572905157 /nfs/dbraw/zinc/90/51/57/572905157.db2.gz PBNOFZYTQSZZRT-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP CC[NH+](CC)C[C@@H]1CC[NH2+][C@@H]1C 86272454 572905193 /nfs/dbraw/zinc/90/51/93/572905193.db2.gz XSJFOYBHPQZIKY-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272592 572905199 /nfs/dbraw/zinc/90/51/99/572905199.db2.gz DUAUQHOIRFIDIF-TUAOUCFPSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[N@H+](CC)C[C@@H]1CC[NH2+][C@@H]1C 86272571 572905235 /nfs/dbraw/zinc/90/52/35/572905235.db2.gz SYCGHDZSOASBSP-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]([NH3+])c1ccc(F)c(C(N)=[NH2+])c1 75845416 572905250 /nfs/dbraw/zinc/90/52/50/572905250.db2.gz LWAMYRMGXFSXLF-YFKPBYRVSA-N 2 0 181.214 1.129 10 0 ADAERP CCC[N@H+](C[C@H]1CC[NH2+][C@@H]1C)C1CC1 86272576 572905297 /nfs/dbraw/zinc/90/52/97/572905297.db2.gz LSQNIXUKYOFELH-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 86272575 572905306 /nfs/dbraw/zinc/90/53/06/572905306.db2.gz LSQNIXUKYOFELH-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@H+](C[C@H]1CC[NH2+][C@@H]1C)C1CC1 86272558 572905320 /nfs/dbraw/zinc/90/53/20/572905320.db2.gz SHIICYNZEYUJOZ-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H]1C 86272586 572905342 /nfs/dbraw/zinc/90/53/42/572905342.db2.gz JRLQADGXECJGDO-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+](C)CC1CC1 86272688 572905392 /nfs/dbraw/zinc/90/53/92/572905392.db2.gz RPQWAWRESUTCKR-ONGXEEELSA-N 2 0 182.311 1.326 10 0 ADAERP CCC[N@H+](CC)C[C@H]1CC[NH2+][C@@H]1C 86272572 572905402 /nfs/dbraw/zinc/90/54/02/572905402.db2.gz SYCGHDZSOASBSP-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+](C)CC(C)(C)C 86273006 572905419 /nfs/dbraw/zinc/90/54/19/572905419.db2.gz QGAJDOVWSKPUSY-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H](CCC[NH3+])[NH2+]Cc1ccoc1 308179441 572905427 /nfs/dbraw/zinc/90/54/27/572905427.db2.gz BZVRIFNNTFXULA-VIFPVBQESA-N 2 0 182.267 1.497 10 0 ADAERP CC[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H]1C 86272585 572905439 /nfs/dbraw/zinc/90/54/39/572905439.db2.gz JRLQADGXECJGDO-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CC(C)(C)C 86272772 572905492 /nfs/dbraw/zinc/90/54/92/572905492.db2.gz GXGPXJKOMNVTBZ-UWVGGRQHSA-N 2 0 184.327 1.620 10 0 ADAERP C[C@@H]1CCC[C@H]1C[NH2+]CC(C)(C)[NH3+] 308178840 572905493 /nfs/dbraw/zinc/90/54/93/572905493.db2.gz BWAKWEALURBVKC-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP CCCC[N@H+](C)[C@H](C)[C@H](C)C[NH2+]C 252598669 572905500 /nfs/dbraw/zinc/90/55/00/572905500.db2.gz KBYZAHCNUQINIW-GHMZBOCLSA-N 2 0 186.343 1.962 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CCC1CC1 86273298 572905507 /nfs/dbraw/zinc/90/55/07/572905507.db2.gz LREHDXCNMAAPMV-GXSJLCMTSA-N 2 0 182.311 1.374 10 0 ADAERP C[NH+](C)Cc1cccc(CCC[NH3+])c1 75845671 572905561 /nfs/dbraw/zinc/90/55/61/572905561.db2.gz SNWHKTPFRVKYNU-UHFFFAOYSA-N 2 0 192.306 1.640 10 0 ADAERP CC1(C[NH2+]C[C@@H]([NH3+])CC2CC2)CC1 308179747 572905572 /nfs/dbraw/zinc/90/55/72/572905572.db2.gz GRVQXSLRHJCLGL-JTQLQIEISA-N 2 0 182.311 1.504 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CCC1CC1 86273296 572905636 /nfs/dbraw/zinc/90/56/36/572905636.db2.gz LREHDXCNMAAPMV-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272641 572905710 /nfs/dbraw/zinc/90/57/10/572905710.db2.gz BMEKBVMFJJNIIQ-GRYCIOLGSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)[C@@H](C)C1CC1 86272636 572905726 /nfs/dbraw/zinc/90/57/26/572905726.db2.gz HXYKQYNNJQGDOB-NHCYSSNCSA-N 2 0 196.338 1.715 10 0 ADAERP CCCC[N@H+](C)[C@@H](C)[C@H](C)C[NH2+]C 252598670 572905727 /nfs/dbraw/zinc/90/57/27/572905727.db2.gz KBYZAHCNUQINIW-MNOVXSKESA-N 2 0 186.343 1.962 10 0 ADAERP C[C@H]1CCC[C@H]1C[NH2+]CC(C)(C)[NH3+] 308178834 572905788 /nfs/dbraw/zinc/90/57/88/572905788.db2.gz BWAKWEALURBVKC-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP CC[NH+](CC)C[C@H]1CC[NH2+][C@@H]1C 86272455 572905814 /nfs/dbraw/zinc/90/58/14/572905814.db2.gz XSJFOYBHPQZIKY-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP NC(=[NH2+])c1cc(CCC[NH3+])ccc1F 75845832 572905871 /nfs/dbraw/zinc/90/58/71/572905871.db2.gz KPNKHCLKSUFKDR-UHFFFAOYSA-N 2 0 195.241 1.001 10 0 ADAERP FCCCC[NH2+]CC1CC[NH2+]CC1 308183693 572905959 /nfs/dbraw/zinc/90/59/59/572905959.db2.gz DWGNRAFEOQWASZ-UHFFFAOYSA-N 2 0 188.290 1.325 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2[NH2+]CC(C)(C)[C@H]2C1 250514146 572909735 /nfs/dbraw/zinc/90/97/35/572909735.db2.gz PSZTVBJUGYEFQB-QWRGUYRKSA-N 2 0 196.338 1.715 10 0 ADAERP Cc1ccc(C(N)=[NH2+])cc1CCC[NH3+] 75845844 572906261 /nfs/dbraw/zinc/90/62/61/572906261.db2.gz RJMGJEPRWLJVOI-UHFFFAOYSA-N 2 0 191.278 1.170 10 0 ADAERP C[NH+](C)Cc1ccccc1CCC[NH3+] 75845670 572906277 /nfs/dbraw/zinc/90/62/77/572906277.db2.gz JZHVKRWLZKLMHT-UHFFFAOYSA-N 2 0 192.306 1.640 10 0 ADAERP C[C@H]([NH3+])c1cccc(C[NH+](C)C)c1 75845043 572906295 /nfs/dbraw/zinc/90/62/95/572906295.db2.gz ZYMQNVMIYKXZBH-VIFPVBQESA-N 2 0 178.279 1.768 10 0 ADAERP NC(=[NH2+])c1ccc(F)c(CCC[NH3+])c1 75845835 572906576 /nfs/dbraw/zinc/90/65/76/572906576.db2.gz RDFTZEYKUWYZIK-UHFFFAOYSA-N 2 0 195.241 1.001 10 0 ADAERP CC(C)[N@@H+]1C[C@H]([NH3+])C[C@@H](CC2CC2)C1 250508470 572910253 /nfs/dbraw/zinc/91/02/53/572910253.db2.gz OAWSEKSFADGLNK-VXGBXAGGSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCC[C@@H](C)[C@H]1C 50563642 572906877 /nfs/dbraw/zinc/90/68/77/572906877.db2.gz MWQPLRFGYDYTGP-OUAUKWLOSA-N 2 0 184.327 1.844 10 0 ADAERP CCC[N@H+](CC(C)C)C[C@H](C)C[NH3+] 308180594 572906895 /nfs/dbraw/zinc/90/68/95/572906895.db2.gz CFMONPCARBXLIA-LLVKDONJSA-N 2 0 186.343 1.949 10 0 ADAERP C[C@@H]1CCC[N@H+](CCC(N)=[NH2+])[C@@H]1C 50565066 572906947 /nfs/dbraw/zinc/90/69/47/572906947.db2.gz UZDZCYGHSVCKJP-RKDXNWHRSA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H]1CCC[N@H+](CCC(N)=[NH2+])[C@@H]1C 50565067 572907155 /nfs/dbraw/zinc/90/71/55/572907155.db2.gz UZDZCYGHSVCKJP-DTWKUNHWSA-N 2 0 183.299 1.433 10 0 ADAERP CC(C)N1C=[NH+][C@@H]2CC[C@H](C[NH3+])C[C@@H]21 250516504 572907618 /nfs/dbraw/zinc/90/76/18/572907618.db2.gz QXTLSKVEAZYDJT-AXFHLTTASA-N 2 0 195.310 1.235 10 0 ADAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCC[C@@H](C)[C@H]1C 50565072 572907620 /nfs/dbraw/zinc/90/76/20/572907620.db2.gz UPGRSBPGQQDVIW-KXUCPTDWSA-N 2 0 197.326 1.821 10 0 ADAERP CCC[N@H+](CC(C)C)C[C@@H](C)C[NH3+] 308180597 572907685 /nfs/dbraw/zinc/90/76/85/572907685.db2.gz CFMONPCARBXLIA-NSHDSACASA-N 2 0 186.343 1.949 10 0 ADAERP CC(C)[N@H+](C1CC1)[C@H]1CC[C@@H](C[NH3+])C1 250503432 572907774 /nfs/dbraw/zinc/90/77/74/572907774.db2.gz MEZGQQYLFHIFTQ-PWSUYJOCSA-N 2 0 196.338 1.987 10 0 ADAERP CCCC[C@@H]([NH3+])C[NH2+]CCCCF 308184389 572908027 /nfs/dbraw/zinc/90/80/27/572908027.db2.gz FAOBHOFZVAAXQV-SNVBAGLBSA-N 2 0 190.306 1.843 10 0 ADAERP CC(C)C[C@H](C[NH3+])CC[NH2+]CCF 308185086 572908209 /nfs/dbraw/zinc/90/82/09/572908209.db2.gz JETZLXUJDSCBMD-SNVBAGLBSA-N 2 0 190.306 1.557 10 0 ADAERP CCC[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCC1 308184435 572908239 /nfs/dbraw/zinc/90/82/39/572908239.db2.gz DTBRDBGUIJJYNS-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)[N@H+](C1CC1)[C@H]1CC[C@@H]([NH3+])C1 250512183 572908275 /nfs/dbraw/zinc/90/82/75/572908275.db2.gz PESIPKYSJYSNSM-KOLCDFICSA-N 2 0 182.311 1.739 10 0 ADAERP CC(C)C[C@@H](C[NH3+])CC[NH2+]CCF 308185082 572908299 /nfs/dbraw/zinc/90/82/99/572908299.db2.gz JETZLXUJDSCBMD-JTQLQIEISA-N 2 0 190.306 1.557 10 0 ADAERP CC1(C[NH2+]C[C@H](N)CC(F)F)CC1 308184620 572908310 /nfs/dbraw/zinc/90/83/10/572908310.db2.gz DYKPEFCRNWRIBU-SSDOTTSWSA-N 2 0 192.253 1.359 10 0 ADAERP CCC[NH2+]C[C@H](C)[C@H](C)[NH+]1CCC1 308184439 572908464 /nfs/dbraw/zinc/90/84/64/572908464.db2.gz DTBRDBGUIJJYNS-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[NH2+][C@H]1C[NH2+]CCCCF 308185247 572908501 /nfs/dbraw/zinc/90/85/01/572908501.db2.gz FOZCHFSLRPLSFM-UWVGGRQHSA-N 2 0 188.290 1.324 10 0 ADAERP CC[C@](C)(C[NH3+])NCc1ccsc1 308184910 572908512 /nfs/dbraw/zinc/90/85/12/572908512.db2.gz JAUGRHPCZGHKEG-SNVBAGLBSA-N 2 0 198.335 1.965 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1C[NH2+]CCCCF 308185246 572908598 /nfs/dbraw/zinc/90/85/98/572908598.db2.gz FOZCHFSLRPLSFM-NXEZZACHSA-N 2 0 188.290 1.324 10 0 ADAERP CCC[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCC1 308184437 572908685 /nfs/dbraw/zinc/90/86/85/572908685.db2.gz DTBRDBGUIJJYNS-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC(C)[N@H+](C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 250512188 572908706 /nfs/dbraw/zinc/90/87/06/572908706.db2.gz PESIPKYSJYSNSM-MWLCHTKSSA-N 2 0 182.311 1.739 10 0 ADAERP CC[N@H+](CCC[NH3+])CCCCCF 308184097 572908732 /nfs/dbraw/zinc/90/87/32/572908732.db2.gz ISJQGDBKFBVUSP-UHFFFAOYSA-N 2 0 190.306 1.797 10 0 ADAERP CC[NH+](CC)[C@@H](C)[C@H](C)C[NH3+] 86311092 572908794 /nfs/dbraw/zinc/90/87/94/572908794.db2.gz FWGACHJUJIUHKI-BDAKNGLRSA-N 2 0 158.289 1.312 10 0 ADAERP CC(C)N1C=[NH+][C@@H]2CC[C@H](C[NH3+])C[C@H]21 250516511 572908875 /nfs/dbraw/zinc/90/88/75/572908875.db2.gz QXTLSKVEAZYDJT-HBNTYKKESA-N 2 0 195.310 1.235 10 0 ADAERP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCC(C)CC1 86311011 572908879 /nfs/dbraw/zinc/90/88/79/572908879.db2.gz ZIBFCSVOXATQDR-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2[NH2+]CC(C)(C)[C@H]2C1 250514148 572909042 /nfs/dbraw/zinc/90/90/42/572909042.db2.gz PSZTVBJUGYEFQB-WDEREUQCSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H](C[NH2+]C1CC1)[C@H](C)[NH+]1CCCC1 86311048 572909073 /nfs/dbraw/zinc/90/90/73/572909073.db2.gz KYFKVLALLRPKPH-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP CC1(C[NH2+]C[C@@H](N)CC(F)F)CC1 308184624 572909100 /nfs/dbraw/zinc/90/91/00/572909100.db2.gz DYKPEFCRNWRIBU-ZETCQYMHSA-N 2 0 192.253 1.359 10 0 ADAERP CC[C@@](C)(C[NH3+])NCc1ccsc1 308184909 572909161 /nfs/dbraw/zinc/90/91/61/572909161.db2.gz JAUGRHPCZGHKEG-JTQLQIEISA-N 2 0 198.335 1.965 10 0 ADAERP COc1c[nH+]c(C)cc1NC[C@H](C)[NH3+] 234896732 572909310 /nfs/dbraw/zinc/90/93/10/572909310.db2.gz GILFVKUSJVNYNJ-ZETCQYMHSA-N 2 0 195.266 1.158 10 0 ADAERP CC(C)[N@H+]1C[C@@H](CC2CC2)C[C@@H]([NH3+])C1 250508467 572909314 /nfs/dbraw/zinc/90/93/14/572909314.db2.gz OAWSEKSFADGLNK-NWDGAFQWSA-N 2 0 196.338 1.844 10 0 ADAERP CC[NH+](CC)[C@H](C)[C@@H](C)C[NH2+]C 86311079 572909599 /nfs/dbraw/zinc/90/95/99/572909599.db2.gz HCDVVWVZGFZMJG-VHSXEESVSA-N 2 0 172.316 1.572 10 0 ADAERP CCC[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCC1 308184441 572909655 /nfs/dbraw/zinc/90/96/55/572909655.db2.gz DTBRDBGUIJJYNS-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCCC1 86311033 572910822 /nfs/dbraw/zinc/91/08/22/572910822.db2.gz FIAHWDQGJYIDEL-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)C[NH3+] 86310968 572909757 /nfs/dbraw/zinc/90/97/57/572909757.db2.gz OBKPPVZRVWLNCL-GARJFASQSA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@@H](CC[NH2+]C)C1 257624157 572909787 /nfs/dbraw/zinc/90/97/87/572909787.db2.gz ABWFQNVNHFNRIP-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH+](CC)[C@@H](C)[C@@H](C)C[NH2+]C 86311078 572909972 /nfs/dbraw/zinc/90/99/72/572909972.db2.gz HCDVVWVZGFZMJG-UWVGGRQHSA-N 2 0 172.316 1.572 10 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C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCC(C)CC1 86311013 572910325 /nfs/dbraw/zinc/91/03/25/572910325.db2.gz ZIBFCSVOXATQDR-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 86310977 572910358 /nfs/dbraw/zinc/91/03/58/572910358.db2.gz MFIKJMLBWRTFMI-DCAQKATOSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H]([C@H](C)C[NH2+]C1CC1)[NH+]1CCCC1 86311049 572910369 /nfs/dbraw/zinc/91/03/69/572910369.db2.gz KYFKVLALLRPKPH-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1CCC[C@H]1C 86310976 572910376 /nfs/dbraw/zinc/91/03/76/572910376.db2.gz MFIKJMLBWRTFMI-AXFHLTTASA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H](C[NH2+]C/C=C\C[NH3+])C(C)(C)C 308182415 572910389 /nfs/dbraw/zinc/91/03/89/572910389.db2.gz DIHDEPCCOLIONB-OMMCCPJFSA-N 2 0 184.327 1.773 10 0 ADAERP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCC(C)CC1 86311012 572910427 /nfs/dbraw/zinc/91/04/27/572910427.db2.gz ZIBFCSVOXATQDR-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP 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87999677 572914816 /nfs/dbraw/zinc/91/48/16/572914816.db2.gz TVZMJBMZIVPCCL-TUAOUCFPSA-N 2 0 198.354 1.949 10 0 ADAERP C[N@@H+]1CCC(C)(C)C[C@@H]2C[C@H]([NH3+])C[C@H]21 257629889 572914817 /nfs/dbraw/zinc/91/48/17/572914817.db2.gz JSCKWJXTQIONAS-GARJFASQSA-N 2 0 196.338 1.844 10 0 ADAERP C[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)CC(C)C 86311613 572914832 /nfs/dbraw/zinc/91/48/32/572914832.db2.gz ZJGMJNSQVAULJA-WDEREUQCSA-N 2 0 186.343 1.818 10 0 ADAERP C[C@@H]1C[N@H+](CC[C@@H](C)C[NH3+])C[C@@H]1C 87999835 572914849 /nfs/dbraw/zinc/91/48/49/572914849.db2.gz ATXQOYJQTODYMW-MXWKQRLJSA-N 2 0 184.327 1.559 10 0 ADAERP C[C@H](C[NH3+])CC[N@H+](CC1CC1)C1CC1 87999757 572914912 /nfs/dbraw/zinc/91/49/12/572914912.db2.gz VVBGYIBLEQDEBJ-JTQLQIEISA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]C[C@H](C)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 86312627 572914879 /nfs/dbraw/zinc/91/48/79/572914879.db2.gz UGINRNLKVMNYAS-BJDJZHNGSA-N 2 0 198.354 1.818 10 0 ADAERP C[NH2+]C[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C1CC1 86311770 572914913 /nfs/dbraw/zinc/91/49/13/572914913.db2.gz PBPLJHFAESNAEK-DCAQKATOSA-N 2 0 198.354 1.961 10 0 ADAERP C[N@@H+]1CCC(C)(C)C[C@@H]2C[C@@H]([NH3+])C[C@H]21 257629890 572914960 /nfs/dbraw/zinc/91/49/60/572914960.db2.gz JSCKWJXTQIONAS-HBNTYKKESA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H](C[NH3+])CC[NH+]1C[C@H](C)[C@@H](C)C1 87999836 572914995 /nfs/dbraw/zinc/91/49/95/572914995.db2.gz ATXQOYJQTODYMW-VWYCJHECSA-N 2 0 184.327 1.559 10 0 ADAERP C[C@@H](C[NH3+])[C@H](C)[N@H+](C)Cc1ccoc1 86312206 572914997 /nfs/dbraw/zinc/91/49/97/572914997.db2.gz VPUOXCINYNXDST-UWVGGRQHSA-N 2 0 196.294 1.695 10 0 ADAERP C[C@H](C[NH+](C)C)OCCCCC[NH3+] 308188071 572915016 /nfs/dbraw/zinc/91/50/16/572915016.db2.gz HEJJWOXTNIRHEK-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP CCC[N@H+](CC)[C@H](C)[C@@H](C)C[NH3+] 86311543 572915035 /nfs/dbraw/zinc/91/50/35/572915035.db2.gz YMIUXRGCQGMCFD-VHSXEESVSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]Cc1cscn1 87999660 572915152 /nfs/dbraw/zinc/91/51/52/572915152.db2.gz XFVFONYQILNRNJ-QMMMGPOBSA-N 2 0 199.323 1.218 10 0 ADAERP CC[C@H](C[NH3+])CC[NH2+]CCC1CC1 87999809 572915105 /nfs/dbraw/zinc/91/51/05/572915105.db2.gz LUBNZOZUPDKFNJ-JTQLQIEISA-N 2 0 184.327 1.751 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+]Cc1cscn1 87999661 572915154 /nfs/dbraw/zinc/91/51/54/572915154.db2.gz XFVFONYQILNRNJ-MRVPVSSYSA-N 2 0 199.323 1.218 10 0 ADAERP CCC[N@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311453 572915113 /nfs/dbraw/zinc/91/51/13/572915113.db2.gz RYUPLYQFKHMVGJ-DTWKUNHWSA-N 2 0 158.289 1.312 10 0 ADAERP C[C@@H]([C@H](C)C[NH2+]C(C)(C)C)[NH+](C)C 86311343 572915121 /nfs/dbraw/zinc/91/51/21/572915121.db2.gz LSJQQQCNQVWCSM-ZJUUUORDSA-N 2 0 186.343 1.961 10 0 ADAERP c1cc(C2C[NH2+]C2)n(-c2cc[nH+]cc2)c1 237994250 572915505 /nfs/dbraw/zinc/91/55/05/572915505.db2.gz KQJUCDNPXVCSHR-UHFFFAOYSA-N 2 0 199.257 1.559 10 0 ADAERP C1C[NH2+][C@@H]2[C@H](C1)C[N@H+]1CCCC[C@H]21 257641487 572915723 /nfs/dbraw/zinc/91/57/23/572915723.db2.gz HVHKVSMTGDALPW-GMTAPVOTSA-N 2 0 180.295 1.223 10 0 ADAERP C1C[NH2+][C@@H]2[C@@H](C1)C[N@H+]1CCCC[C@@H]21 257641485 572916444 /nfs/dbraw/zinc/91/64/44/572916444.db2.gz HVHKVSMTGDALPW-GARJFASQSA-N 2 0 180.295 1.223 10 0 ADAERP C[NH2+]C[C@@H](C)Cc1c[nH+]c(C)n1C 308188807 572916642 /nfs/dbraw/zinc/91/66/42/572916642.db2.gz LXSZMTUYFWWZSH-QMMMGPOBSA-N 2 0 181.283 1.127 10 0 ADAERP CC[N@H+](C[C@H](C)C[NH3+])CC(C)(C)C 308188868 572916823 /nfs/dbraw/zinc/91/68/23/572916823.db2.gz HQWGKTDRYLWUTR-SNVBAGLBSA-N 2 0 186.343 1.949 10 0 ADAERP C[NH2+]C[C@H](C)Cc1c[nH+]c(C)n1C 308188805 572916855 /nfs/dbraw/zinc/91/68/55/572916855.db2.gz LXSZMTUYFWWZSH-MRVPVSSYSA-N 2 0 181.283 1.127 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+][C@@H](C)C1CCC1 308188495 572917298 /nfs/dbraw/zinc/91/72/98/572917298.db2.gz HMVDTTGOMRAWOZ-VIFPVBQESA-N 2 0 184.327 1.763 10 0 ADAERP CC1CC([NH2+]C[C@H]([NH3+])CC2CC2)C1 308188887 572917514 /nfs/dbraw/zinc/91/75/14/572917514.db2.gz MBKJRJOOWKOEMD-LDGBHUKOSA-N 2 0 182.311 1.502 10 0 ADAERP C1C[NH2+][C@@H]2[C@@H](C1)C[N@H+]1CCCC[C@H]21 257641488 572917583 /nfs/dbraw/zinc/91/75/83/572917583.db2.gz HVHKVSMTGDALPW-HBNTYKKESA-N 2 0 180.295 1.223 10 0 ADAERP Cc1cnc(C)c(N[C@@H](C)[C@@H](C)[NH3+])c1 404502240 572917714 /nfs/dbraw/zinc/91/77/14/572917714.db2.gz ZBRUZWULTNNMHY-BDAKNGLRSA-N 2 0 193.294 1.846 10 0 ADAERP CCC[C@](C)([NH3+])C[NH2+]CCCCF 308189555 572918062 /nfs/dbraw/zinc/91/80/62/572918062.db2.gz IIYGGMBBWHWTMM-JTQLQIEISA-N 2 0 190.306 1.843 10 0 ADAERP C[C@@H]1C[C@]1(C)[C@H]1[C@H]([NH3+])CC[N@@H+]1C1CC1 714604218 572918086 /nfs/dbraw/zinc/91/80/86/572918086.db2.gz UHYOKKJPHLWWTJ-HKWIRBFKSA-N 2 0 194.322 1.597 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1C[NH2+]CC1CC1 308189746 572918324 /nfs/dbraw/zinc/91/83/24/572918324.db2.gz MTWXWYMWIGNFBF-ONGXEEELSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H]1C[NH2+]CCC[N@H+](CC2(C)CC2)C1 235400746 572918341 /nfs/dbraw/zinc/91/83/41/572918341.db2.gz UXQWNJSPBQWVSQ-LLVKDONJSA-N 2 0 196.338 1.718 10 0 ADAERP CCCC[C@H]([NH3+])Cc1ccnc(N)c1 86322700 572918454 /nfs/dbraw/zinc/91/84/54/572918454.db2.gz VDWPFQSYPWOATP-JTQLQIEISA-N 2 0 193.294 1.724 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)C[C@@H]1C 235405933 572918455 /nfs/dbraw/zinc/91/84/55/572918455.db2.gz OEDPTXPMGHZVOQ-WYUUTHIRSA-N 2 0 196.338 1.572 10 0 ADAERP CN1CCC[C@@H]1[C@@H]([NH3+])Cc1ccoc1 257656355 572918551 /nfs/dbraw/zinc/91/85/51/572918551.db2.gz JREMOMCRUCGXFY-WDEREUQCSA-N 2 0 194.278 1.244 10 0 ADAERP Cc1cnc(C)c(N[C@H](C)[C@@H](C)[NH3+])c1 404502243 572918649 /nfs/dbraw/zinc/91/86/49/572918649.db2.gz ZBRUZWULTNNMHY-RKDXNWHRSA-N 2 0 193.294 1.846 10 0 ADAERP CC(C)C[N@@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 308189501 572918657 /nfs/dbraw/zinc/91/86/57/572918657.db2.gz IEVGDWDVEFFWEN-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP Cc1cnc(C)c(N[C@@H](C)[C@H](C)[NH3+])c1 404502242 572918686 /nfs/dbraw/zinc/91/86/86/572918686.db2.gz ZBRUZWULTNNMHY-IUCAKERBSA-N 2 0 193.294 1.846 10 0 ADAERP Cc1cnc(C)c(N[C@H](C)[C@H](C)[NH3+])c1 404502241 572918759 /nfs/dbraw/zinc/91/87/59/572918759.db2.gz ZBRUZWULTNNMHY-DTWKUNHWSA-N 2 0 193.294 1.846 10 0 ADAERP C[C@@H]1C[C@]1(C)[C@H]1[C@@H]([NH3+])CC[N@@H+]1C1CC1 714604219 572918819 /nfs/dbraw/zinc/91/88/19/572918819.db2.gz UHYOKKJPHLWWTJ-KLHWPWHYSA-N 2 0 194.322 1.597 10 0 ADAERP CC(C)C[N@@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308189500 572918903 /nfs/dbraw/zinc/91/89/03/572918903.db2.gz IEVGDWDVEFFWEN-GHMZBOCLSA-N 2 0 184.327 1.844 10 0 ADAERP CCCCC(=[NH2+])N1CCN(C)CC1 86324202 572919097 /nfs/dbraw/zinc/91/90/97/572919097.db2.gz AITAFAOEZLWXNS-UHFFFAOYSA-N 2 0 183.299 1.401 10 0 ADAERP CN1CCC[C@H]1[C@@H]([NH3+])Cc1ccoc1 257656354 572919119 /nfs/dbraw/zinc/91/91/19/572919119.db2.gz JREMOMCRUCGXFY-QWRGUYRKSA-N 2 0 194.278 1.244 10 0 ADAERP CCC[N@H+](C)C[C@H]1CC[NH2+]C[C@@H]1C 308189722 572919257 /nfs/dbraw/zinc/91/92/57/572919257.db2.gz MTECDIAZVAPXMY-WDEREUQCSA-N 2 0 184.327 1.574 10 0 ADAERP CCCC[C@@H]([NH3+])Cc1ccnc(N)c1 86322703 572919369 /nfs/dbraw/zinc/91/93/69/572919369.db2.gz VDWPFQSYPWOATP-SNVBAGLBSA-N 2 0 193.294 1.724 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+]CC1CC1 308189745 572919562 /nfs/dbraw/zinc/91/95/62/572919562.db2.gz MTWXWYMWIGNFBF-MWLCHTKSSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+]CC1CC1 308189744 572919807 /nfs/dbraw/zinc/91/98/07/572919807.db2.gz MTWXWYMWIGNFBF-KOLCDFICSA-N 2 0 182.311 1.232 10 0 ADAERP CCC[N@H+](C)C[C@@H]1CC[NH2+]C[C@@H]1C 308189721 572920318 /nfs/dbraw/zinc/92/03/18/572920318.db2.gz MTECDIAZVAPXMY-QWRGUYRKSA-N 2 0 184.327 1.574 10 0 ADAERP C[C@@H]1C[C@]1(C)[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C1CC1 714604220 572920243 /nfs/dbraw/zinc/92/02/43/572920243.db2.gz UHYOKKJPHLWWTJ-QTKMDUPCSA-N 2 0 194.322 1.597 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H](C)[C@H](C)C[NH2+]C 252603099 572920558 /nfs/dbraw/zinc/92/05/58/572920558.db2.gz NTESTWWRMDIVIG-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP CCC[C@@H]([NH3+])[C@H]1CCC[N@@H+]1C 83962700 572920782 /nfs/dbraw/zinc/92/07/82/572920782.db2.gz WOLIQQZYFKKYKN-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP CC(C[NH2+]CCCCF)=C1C[NH2+]C1 308192534 572920963 /nfs/dbraw/zinc/92/09/63/572920963.db2.gz KMAAFJLTLXFTJG-UHFFFAOYSA-N 2 0 186.274 1.245 10 0 ADAERP CC(C)[C@H]([NH3+])[C@H]1CCC[N@@H+]1C 83962703 572921226 /nfs/dbraw/zinc/92/12/26/572921226.db2.gz OSIXDNHIBGVTCE-BDAKNGLRSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)[C@@H]([NH3+])[C@@H]1CCC[N@@H+]1C 83962702 572921415 /nfs/dbraw/zinc/92/14/15/572921415.db2.gz OSIXDNHIBGVTCE-DTWKUNHWSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+]CCCCF 308192946 572921467 /nfs/dbraw/zinc/92/14/67/572921467.db2.gz KTFIXKLUAHJKRO-JTQLQIEISA-N 2 0 190.306 1.699 10 0 ADAERP C[N@@H+](CC1CC1)C[C@@H]([NH3+])CC1CC1 308192375 572921493 /nfs/dbraw/zinc/92/14/93/572921493.db2.gz OSBBQCBGDZPTDJ-NSHDSACASA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)[C@H]([NH3+])[C@@H]1CCC[N@@H+]1C 83962701 572921564 /nfs/dbraw/zinc/92/15/64/572921564.db2.gz OSIXDNHIBGVTCE-IUCAKERBSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)[C@@H](C)C[NH2+][C@H](C)CCC[NH3+] 308190116 572921752 /nfs/dbraw/zinc/92/17/52/572921752.db2.gz IUWCTPFNVLGZED-WDEREUQCSA-N 2 0 186.343 1.996 10 0 ADAERP CCC[C@H]([NH3+])[C@@H]1CCC[N@@H+]1C 83962697 572921777 /nfs/dbraw/zinc/92/17/77/572921777.db2.gz WOLIQQZYFKKYKN-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP CC[N@H+](CC1CC1)[C@H](C)[C@H](C)C[NH2+]C 252603098 572922249 /nfs/dbraw/zinc/92/22/49/572922249.db2.gz NTESTWWRMDIVIG-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[C@H]([NH3+])[C@H]1CCC[N@@H+]1C 83962699 572921932 /nfs/dbraw/zinc/92/19/32/572921932.db2.gz WOLIQQZYFKKYKN-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP CCCC[C@@H](C)[N@H+](C)CCC(N)=[NH2+] 308192903 572922199 /nfs/dbraw/zinc/92/21/99/572922199.db2.gz KPWQTAOLGWZABW-SECBINFHSA-N 2 0 185.315 1.823 10 0 ADAERP CC(C)[C@@H]([NH3+])[C@H]1CCC[N@@H+]1C 83962704 572922497 /nfs/dbraw/zinc/92/24/97/572922497.db2.gz OSIXDNHIBGVTCE-RKDXNWHRSA-N 2 0 156.273 1.064 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H]1CCC[N@@H+]1C 83962698 572922598 /nfs/dbraw/zinc/92/25/98/572922598.db2.gz WOLIQQZYFKKYKN-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP CC(C)C(C(C)C)[N@H+](C)CCC[NH3+] 308192953 572922708 /nfs/dbraw/zinc/92/27/08/572922708.db2.gz KTVCYSPMWJEGOB-UHFFFAOYSA-N 2 0 186.343 1.948 10 0 ADAERP C[N@@H+](CC1CC1)C[C@H]([NH3+])CC1CC1 308192374 572922798 /nfs/dbraw/zinc/92/27/98/572922798.db2.gz OSBBQCBGDZPTDJ-LLVKDONJSA-N 2 0 182.311 1.456 10 0 ADAERP CCC[C@H](C1CC1)[N@H+](C)CCC[NH3+] 308194460 572925066 /nfs/dbraw/zinc/92/50/66/572925066.db2.gz PYZCXVXKCSPHRG-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H]1C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 308191534 572925851 /nfs/dbraw/zinc/92/58/51/572925851.db2.gz NZYVIOOVLJIRSE-DCAQKATOSA-N 2 0 182.311 1.374 10 0 ADAERP CC[C@H](C)[N@H+](C)CCCOCC[NH3+] 308191572 572926249 /nfs/dbraw/zinc/92/62/49/572926249.db2.gz OBLIOAJLZVKYBN-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP CC[NH2+]C[C@H]1CCC[N@@H+]1[C@H](C)CC 86386646 572926350 /nfs/dbraw/zinc/92/63/50/572926350.db2.gz CANHJEBJZOJRET-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CCCCF 308199201 572926943 /nfs/dbraw/zinc/92/69/43/572926943.db2.gz OWFGINRZVFIODW-UWVGGRQHSA-N 2 0 188.290 1.324 10 0 ADAERP CC[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)CC 86386647 572926533 /nfs/dbraw/zinc/92/65/33/572926533.db2.gz CANHJEBJZOJRET-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP C=COCCC[NH2+]CC(C)(C)[NH2+]C 308198850 572927418 /nfs/dbraw/zinc/92/74/18/572927418.db2.gz OQYUIKXITZMDJP-UHFFFAOYSA-N 2 0 186.299 1.124 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CCCCF 308199203 572927520 /nfs/dbraw/zinc/92/75/20/572927520.db2.gz OWFGINRZVFIODW-VHSXEESVSA-N 2 0 188.290 1.324 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]CCCCF 308199200 572927576 /nfs/dbraw/zinc/92/75/76/572927576.db2.gz OWFGINRZVFIODW-NXEZZACHSA-N 2 0 188.290 1.324 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]CCCCF 308199205 572927613 /nfs/dbraw/zinc/92/76/13/572927613.db2.gz OWFGINRZVFIODW-ZJUUUORDSA-N 2 0 188.290 1.324 10 0 ADAERP C[C@@H]1C[C@@H]([NH2+]CCCCF)CN1C 308201208 572927972 /nfs/dbraw/zinc/92/79/72/572927972.db2.gz PZQBKGBUWCUITQ-NXEZZACHSA-N 2 0 188.290 1.418 10 0 ADAERP CCCC1(C[NH2+][C@H](C)[C@H](C)[NH3+])CC1 308200917 572928071 /nfs/dbraw/zinc/92/80/71/572928071.db2.gz PTRGDKHVWSUTSF-VHSXEESVSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1C[C@H]([NH2+]CCCCF)CN1C 308201215 572929137 /nfs/dbraw/zinc/92/91/37/572929137.db2.gz PZQBKGBUWCUITQ-ZJUUUORDSA-N 2 0 188.290 1.418 10 0 ADAERP FCCC[NH2+]CC[C@@H]1CCC[NH2+]C1 308201934 572928137 /nfs/dbraw/zinc/92/81/37/572928137.db2.gz VTOQCQAJJUNJBZ-JTQLQIEISA-N 2 0 188.290 1.325 10 0 ADAERP CCCC[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1C 308200986 572928373 /nfs/dbraw/zinc/92/83/73/572928373.db2.gz VCDMDHGVJBWBSM-QWRGUYRKSA-N 2 0 184.327 1.622 10 0 ADAERP CCCC1(C[NH2+][C@@H](C)[C@@H](C)[NH3+])CC1 308200918 572928527 /nfs/dbraw/zinc/92/85/27/572928527.db2.gz PTRGDKHVWSUTSF-ZJUUUORDSA-N 2 0 184.327 1.892 10 0 ADAERP CCCCOCC[NH2+]CC(C)(C)[NH3+] 308200767 572928562 /nfs/dbraw/zinc/92/85/62/572928562.db2.gz PQOIXYGPGXXNSU-UHFFFAOYSA-N 2 0 188.315 1.130 10 0 ADAERP C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)[NH+]=CN2C(C)C 250529650 572928596 /nfs/dbraw/zinc/92/85/96/572928596.db2.gz WOKPFFNGBOILIT-OUAUKWLOSA-N 2 0 195.310 1.248 10 0 ADAERP C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)[NH+]=CN2C(C)C 250529646 572928611 /nfs/dbraw/zinc/92/86/11/572928611.db2.gz WOKPFFNGBOILIT-MXWKQRLJSA-N 2 0 195.310 1.248 10 0 ADAERP C[C@H]1C[C@H]([NH2+]CCCCF)CN1C 308201210 572928735 /nfs/dbraw/zinc/92/87/35/572928735.db2.gz PZQBKGBUWCUITQ-UWVGGRQHSA-N 2 0 188.290 1.418 10 0 ADAERP CCCC[NH2+]C[C@H]1CC[NH2+]C[C@H]1C 308200984 572928769 /nfs/dbraw/zinc/92/87/69/572928769.db2.gz VCDMDHGVJBWBSM-GHMZBOCLSA-N 2 0 184.327 1.622 10 0 ADAERP CCCC[NH2+]C[C@H]1CC[NH2+]C[C@@H]1C 308200987 572928802 /nfs/dbraw/zinc/92/88/02/572928802.db2.gz VCDMDHGVJBWBSM-WDEREUQCSA-N 2 0 184.327 1.622 10 0 ADAERP FCCC[NH2+]CC[C@H]1CCC[NH2+]C1 308201935 572929115 /nfs/dbraw/zinc/92/91/15/572929115.db2.gz VTOQCQAJJUNJBZ-SNVBAGLBSA-N 2 0 188.290 1.325 10 0 ADAERP 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1.209 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH2+]CCC(F)(F)F)C1 86400484 572932950 /nfs/dbraw/zinc/93/29/50/572932950.db2.gz RUMATLPRGCUZOX-RQJHMYQMSA-N 2 0 196.216 1.408 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]([NH3+])CC1CC1 308205152 572933005 /nfs/dbraw/zinc/93/30/05/572933005.db2.gz YIEBIVWJHGWGCP-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP CCC(CC)[NH2+][C@H]1CC[C@@H]([NH3+])C1 86396925 572933015 /nfs/dbraw/zinc/93/30/15/572933015.db2.gz VMMJGAPORXPKLU-SCZZXKLOSA-N 2 0 170.300 1.644 10 0 ADAERP C=COCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86402462 572933027 /nfs/dbraw/zinc/93/30/27/572933027.db2.gz DIWKCAHQSYQFJE-WDEREUQCSA-N 2 0 198.310 1.396 10 0 ADAERP CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 86398349 572933062 /nfs/dbraw/zinc/93/30/62/572933062.db2.gz IAXXPXOKDWGQNG-GARJFASQSA-N 2 0 184.327 1.890 10 0 ADAERP CCCCC[NH2+][C@H]1CC[C@H]([NH3+])C1 86397002 572933076 /nfs/dbraw/zinc/93/30/76/572933076.db2.gz CKEPDPSYRWPTAJ-UWVGGRQHSA-N 2 0 170.300 1.646 10 0 ADAERP CC[N@H+](CCCF)C1CC[NH2+]CC1 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QYZGCRBORUKFLJ-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP C[NH+]1CCC(C[NH2+]CCCF)CC1 88024773 572934095 /nfs/dbraw/zinc/93/40/95/572934095.db2.gz CSEMGIXQIPFWOO-UHFFFAOYSA-N 2 0 188.290 1.277 10 0 ADAERP C[N@H+](CCCF)CC1CC([NH3+])C1 88027136 572934682 /nfs/dbraw/zinc/93/46/82/572934682.db2.gz DPTVJFJDOJIDKQ-UHFFFAOYSA-N 2 0 174.263 1.015 10 0 ADAERP CCC[NH+](CCC)[C@@H]1CC[C@H]([NH3+])C1 86409703 572934715 /nfs/dbraw/zinc/93/47/15/572934715.db2.gz VPLNMJXMMCMIPO-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP CCCC[N@H+](CC)[C@H]1CC[C@H]([NH3+])C1 86409894 572934488 /nfs/dbraw/zinc/93/44/88/572934488.db2.gz QYZGCRBORUKFLJ-QWRGUYRKSA-N 2 0 184.327 1.988 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+]CCCCF)C1 308204250 572934529 /nfs/dbraw/zinc/93/45/29/572934529.db2.gz GQOZNVKQIQZPKH-JTQLQIEISA-N 2 0 188.290 1.277 10 0 ADAERP [NH3+]CCC[C@H]1CCC[N@@H+]1CCCF 88027129 572934665 /nfs/dbraw/zinc/93/46/65/572934665.db2.gz GQVSTOGWTHUSNK-JTQLQIEISA-N 2 0 188.290 1.549 10 0 ADAERP C[N@@H+]1CCC[C@@H](C[NH2+]CCCF)C1 88024776 572934756 /nfs/dbraw/zinc/93/47/56/572934756.db2.gz AJADBKHXNXNYDW-JTQLQIEISA-N 2 0 188.290 1.277 10 0 ADAERP CCC[NH+](CCC)[C@@H]1CC[C@@H]([NH3+])C1 86409708 572935153 /nfs/dbraw/zinc/93/51/53/572935153.db2.gz VPLNMJXMMCMIPO-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH2+]CCCF)C1 88024775 572934947 /nfs/dbraw/zinc/93/49/47/572934947.db2.gz AJADBKHXNXNYDW-SNVBAGLBSA-N 2 0 188.290 1.277 10 0 ADAERP [NH3+]CCC[C@@H]1CCC[N@@H+]1CCCF 88027130 572935115 /nfs/dbraw/zinc/93/51/15/572935115.db2.gz GQVSTOGWTHUSNK-SNVBAGLBSA-N 2 0 188.290 1.549 10 0 ADAERP CCC[NH+](CCC)[C@H]1CC[C@@H]([NH3+])C1 86409709 572935173 /nfs/dbraw/zinc/93/51/73/572935173.db2.gz VPLNMJXMMCMIPO-MNOVXSKESA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H](CC[NH+](C)C)[NH2+]CCCF 88024742 572935464 /nfs/dbraw/zinc/93/54/64/572935464.db2.gz NLZRQVRCCJECTL-SECBINFHSA-N 2 0 176.279 1.276 10 0 ADAERP CCCC[NH2+]CC1([NH2+]C)CCCC1 308206010 572935466 /nfs/dbraw/zinc/93/54/66/572935466.db2.gz SYBASMQUSONWSA-UHFFFAOYSA-N 2 0 184.327 1.908 10 0 ADAERP COc1c[nH+]c(C)cc1N[C@H](C)C[NH3+] 234915436 572935718 /nfs/dbraw/zinc/93/57/18/572935718.db2.gz IZRYXOUSOCVGFR-MRVPVSSYSA-N 2 0 195.266 1.158 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86432913 572935877 /nfs/dbraw/zinc/93/58/77/572935877.db2.gz BPVBOAWLLYRFOC-NWDGAFQWSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H](CC[NH+](C)C)[NH2+]CCCF 88024741 572935892 /nfs/dbraw/zinc/93/58/92/572935892.db2.gz NLZRQVRCCJECTL-VIFPVBQESA-N 2 0 176.279 1.276 10 0 ADAERP CCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86431486 572936300 /nfs/dbraw/zinc/93/63/00/572936300.db2.gz KWFVGSJYGQLLPO-RYUDHWBXSA-N 2 0 196.338 1.988 10 0 ADAERP CC(C)[N@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432462 572936426 /nfs/dbraw/zinc/93/64/26/572936426.db2.gz OHPJXRFIBHCAEG-NWDGAFQWSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)C[N@H+](C1CC1)[C@H]1CC[C@H]([NH3+])C1 86432431 572937039 /nfs/dbraw/zinc/93/70/39/572937039.db2.gz JBUFBIRCSVEKMZ-JQWIXIFHSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86432463 572936714 /nfs/dbraw/zinc/93/67/14/572936714.db2.gz OHPJXRFIBHCAEG-RYUDHWBXSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)CC[N@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86431844 572937049 /nfs/dbraw/zinc/93/70/49/572937049.db2.gz APVWHLFVDDMNLM-WDEREUQCSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)C[N@H+](C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432429 572936821 /nfs/dbraw/zinc/93/68/21/572936821.db2.gz JBUFBIRCSVEKMZ-CMPLNLGQSA-N 2 0 196.338 1.987 10 0 ADAERP CCCC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 50889185 572936883 /nfs/dbraw/zinc/93/68/83/572936883.db2.gz NVLHBKYAOPZRFN-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC[N@H+](C)[C@H]1CC[C@H]([NH3+])C1 86431847 572936966 /nfs/dbraw/zinc/93/69/66/572936966.db2.gz APVWHLFVDDMNLM-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)(CC[NH3+])CCC[NH2+]CCF 308195279 572937254 /nfs/dbraw/zinc/93/72/54/572937254.db2.gz QPZPRHUXLVGFKB-UHFFFAOYSA-N 2 0 190.306 1.701 10 0 ADAERP CCCC[C@H](C)[NH2+]CCOCC[NH3+] 86435658 572937460 /nfs/dbraw/zinc/93/74/60/572937460.db2.gz ABEKERNLXKUNHS-JTQLQIEISA-N 2 0 188.315 1.130 10 0 ADAERP CC[C@H](C[NH3+])CC[NH2+]CCCCF 308195941 572937548 /nfs/dbraw/zinc/93/75/48/572937548.db2.gz MPUOZFLBNUZPFH-JTQLQIEISA-N 2 0 190.306 1.701 10 0 ADAERP CC[N@H+](CC1CC1)[C@H]1CCC[C@H]([NH3+])C1 86432914 572937596 /nfs/dbraw/zinc/93/75/96/572937596.db2.gz BPVBOAWLLYRFOC-RYUDHWBXSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1C[C@H](C[NH2+]CCCF)CC[NH2+]1 308196578 572937616 /nfs/dbraw/zinc/93/76/16/572937616.db2.gz RJJQFEOGDCMGDQ-VHSXEESVSA-N 2 0 188.290 1.324 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432915 572937622 /nfs/dbraw/zinc/93/76/22/572937622.db2.gz JCDMIDHZVPXZGH-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)CC[NH3+] 308196414 572937658 /nfs/dbraw/zinc/93/76/58/572937658.db2.gz RIPDPOHKMAHKMO-VHSXEESVSA-N 2 0 184.327 1.607 10 0 ADAERP C[C@@H]1C[C@@H](C[NH2+]CCCF)CC[NH2+]1 308196579 572937665 /nfs/dbraw/zinc/93/76/65/572937665.db2.gz RJJQFEOGDCMGDQ-ZJUUUORDSA-N 2 0 188.290 1.324 10 0 ADAERP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)C2CC2)C1 86432968 572938033 /nfs/dbraw/zinc/93/80/33/572938033.db2.gz DRTWZBCEWLKOGP-JQWIXIFHSA-N 2 0 194.322 1.741 10 0 ADAERP CCC(CC)[N@H+](C)CCOCC[NH3+] 86435407 572938047 /nfs/dbraw/zinc/93/80/47/572938047.db2.gz MVWRWFJEABYGDH-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([N@H+](CC2CC2)C2CC2)C1 86432967 572938445 /nfs/dbraw/zinc/93/84/45/572938445.db2.gz DRTWZBCEWLKOGP-CMPLNLGQSA-N 2 0 194.322 1.741 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH2+]CCCCF)C1 308195915 572938141 /nfs/dbraw/zinc/93/81/41/572938141.db2.gz MNFPEJPSBNGBCQ-ZJUUUORDSA-N 2 0 188.290 1.453 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)CC[NH3+] 308196412 572938201 /nfs/dbraw/zinc/93/82/01/572938201.db2.gz RIPDPOHKMAHKMO-NXEZZACHSA-N 2 0 184.327 1.607 10 0 ADAERP C[C@@H]1C[C@H](C[NH2+]CCCF)CC[NH2+]1 308196427 572938384 /nfs/dbraw/zinc/93/83/84/572938384.db2.gz RJJQFEOGDCMGDQ-NXEZZACHSA-N 2 0 188.290 1.324 10 0 ADAERP CCC[N@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86431484 572938474 /nfs/dbraw/zinc/93/84/74/572938474.db2.gz KWFVGSJYGQLLPO-NWDGAFQWSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]CCCCF)C1 308195912 572938800 /nfs/dbraw/zinc/93/88/00/572938800.db2.gz MNFPEJPSBNGBCQ-NXEZZACHSA-N 2 0 188.290 1.453 10 0 ADAERP CC(C)OCC[NH2+][C@@H](C)CCC[NH3+] 308207206 572938931 /nfs/dbraw/zinc/93/89/31/572938931.db2.gz UHRQEYGSSVXIGA-JTQLQIEISA-N 2 0 188.315 1.128 10 0 ADAERP CC[C@@H](C[NH3+])CC[NH2+]CCCCF 308195942 572939076 /nfs/dbraw/zinc/93/90/76/572939076.db2.gz MPUOZFLBNUZPFH-SNVBAGLBSA-N 2 0 190.306 1.701 10 0 ADAERP C[C@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)N(C)C1 223150872 572939206 /nfs/dbraw/zinc/93/92/06/572939206.db2.gz TWJOKYWMGUSAAK-SGIHWFKDSA-N 2 0 168.284 1.077 10 0 ADAERP CC[C@H](C)[N@H+](C)CC[C@H](C[NH3+])OC 299995314 572939441 /nfs/dbraw/zinc/93/94/41/572939441.db2.gz LJYGEGMTSNLSHE-VHSXEESVSA-N 2 0 188.315 1.081 10 0 ADAERP CC[C@@H](C)[N@H+](C)CC[C@H](C[NH3+])OC 299995313 572939638 /nfs/dbraw/zinc/93/96/38/572939638.db2.gz LJYGEGMTSNLSHE-NXEZZACHSA-N 2 0 188.315 1.081 10 0 ADAERP CC[C@@H](C)C[N@H+](CC)C/C=C/C[NH3+] 86437766 572939672 /nfs/dbraw/zinc/93/96/72/572939672.db2.gz YKPMASMVMXUHPD-XUIVZRPNSA-N 2 0 184.327 1.869 10 0 ADAERP CC[C@H](C)C[N@H+](CC)C/C=C/C[NH3+] 86437768 572939700 /nfs/dbraw/zinc/93/97/00/572939700.db2.gz YKPMASMVMXUHPD-MLRMMBSGSA-N 2 0 184.327 1.869 10 0 ADAERP CC(C)C[C@@H]([NH3+])[C@H]([NH3+])CC(C)C 238139841 572939776 /nfs/dbraw/zinc/93/97/76/572939776.db2.gz LKIULKWWFDXWAO-NXEZZACHSA-N 2 0 172.316 1.733 10 0 ADAERP CCCC[N@H+](C)C[C@@H]([NH3+])CC1CC1 308197496 572940351 /nfs/dbraw/zinc/94/03/51/572940351.db2.gz SCLDEKVAEQRMFO-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)C[C@@H]([NH3+])[C@H](C[NH3+])C(C)C 238139741 572940382 /nfs/dbraw/zinc/94/03/82/572940382.db2.gz WQMLXMKGLNINSM-NXEZZACHSA-N 2 0 172.316 1.591 10 0 ADAERP C[NH+](C)CCCCNC1=[NH+]CCCC1 86455299 572940649 /nfs/dbraw/zinc/94/06/49/572940649.db2.gz GSIQUUJQKIPFSP-UHFFFAOYSA-N 2 0 197.326 1.500 10 0 ADAERP C[NH+](C)CCCNC1=[NH+]CCCC1 86454462 572940695 /nfs/dbraw/zinc/94/06/95/572940695.db2.gz UKOOKNKCVNMNKJ-UHFFFAOYSA-N 2 0 183.299 1.110 10 0 ADAERP C[C@@H](CC[NH+](C)C)NC1=[NH+]CCC1 86455119 572940853 /nfs/dbraw/zinc/94/08/53/572940853.db2.gz BOEALLDEDHLNPK-VIFPVBQESA-N 2 0 183.299 1.109 10 0 ADAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC1(C2CC2)CC1 308210657 572941020 /nfs/dbraw/zinc/94/10/20/572941020.db2.gz WFEPVSRSAPXPPI-RKDXNWHRSA-N 2 0 182.311 1.502 10 0 ADAERP CC[NH+](CC)C[C@H](C)NC1=[NH+]CCC1 86455306 572941637 /nfs/dbraw/zinc/94/16/37/572941637.db2.gz RNVSXMFFVGZRRH-JTQLQIEISA-N 2 0 197.326 1.499 10 0 ADAERP CC[NH+](CC)C[C@@H](C)NC1=[NH+]CCC1 86455305 572941810 /nfs/dbraw/zinc/94/18/10/572941810.db2.gz RNVSXMFFVGZRRH-SNVBAGLBSA-N 2 0 197.326 1.499 10 0 ADAERP CC(C)C1(C[NH2+]C/C=C\C[NH3+])CC1 308210813 572942012 /nfs/dbraw/zinc/94/20/12/572942012.db2.gz WJGXOZQTNNHABI-ARJAWSKDSA-N 2 0 182.311 1.527 10 0 ADAERP CC[NH2+]CCC[N@H+](C)CCC1CC1 308210340 572942026 /nfs/dbraw/zinc/94/20/26/572942026.db2.gz GCEFQCWYRKCSAN-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[C@@H](CC[NH+](C)C)NC1=[NH+]CCCC1 86455123 572942060 /nfs/dbraw/zinc/94/20/60/572942060.db2.gz BWVSORIWYBMYLQ-JTQLQIEISA-N 2 0 197.326 1.499 10 0 ADAERP Cc1[nH]c2c([nH+]1)C[C@H](C[C@@H](C)[NH3+])CC2 76089423 572942144 /nfs/dbraw/zinc/94/21/44/572942144.db2.gz FCOKVCIVMNDQDO-APPZFPTMSA-N 2 0 193.294 1.560 10 0 ADAERP Cc1[nH]c2c([nH+]1)C[C@@H]([C@H](C)C[NH3+])CC2 76089419 572942206 /nfs/dbraw/zinc/94/22/06/572942206.db2.gz ZPPUXOOKKRCJGC-APPZFPTMSA-N 2 0 193.294 1.418 10 0 ADAERP C[NH+](C)CCCCNC1=[NH+]CCC1 86455297 572942270 /nfs/dbraw/zinc/94/22/70/572942270.db2.gz YVNIQSHFDTUQOS-UHFFFAOYSA-N 2 0 183.299 1.110 10 0 ADAERP C[C@H](CC[NH+](C)C)NC1=[NH+]CCCC1 86455124 572942298 /nfs/dbraw/zinc/94/22/98/572942298.db2.gz BWVSORIWYBMYLQ-SNVBAGLBSA-N 2 0 197.326 1.499 10 0 ADAERP Cc1[nH]c2c([nH+]1)[C@H]([C@@H](C)C[NH3+])CCC2 76089409 572942354 /nfs/dbraw/zinc/94/23/54/572942354.db2.gz UXGOLVIMYOGKOF-CBAPKCEASA-N 2 0 193.294 1.733 10 0 ADAERP Cc1[nH]c2c([nH+]1)C[C@H](C[C@H](C)[NH3+])CC2 76089429 572942722 /nfs/dbraw/zinc/94/27/22/572942722.db2.gz FCOKVCIVMNDQDO-CBAPKCEASA-N 2 0 193.294 1.560 10 0 ADAERP Cc1[nH]c2c([nH+]1)[C@@H]([C@@H](C)C[NH3+])CCC2 76089406 572942750 /nfs/dbraw/zinc/94/27/50/572942750.db2.gz UXGOLVIMYOGKOF-IONNQARKSA-N 2 0 193.294 1.733 10 0 ADAERP CC[N@H+](C)CC1CCC(C[NH3+])CC1 86478699 572942860 /nfs/dbraw/zinc/94/28/60/572942860.db2.gz LQTGXDNIUIIUHL-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP COC(C)(C)C[C@@H](CN)[NH2+]C(C)C 234583014 572942958 /nfs/dbraw/zinc/94/29/58/572942958.db2.gz KRQUCYKVGXUJIM-VIFPVBQESA-N 2 0 188.315 1.127 10 0 ADAERP Cc1[nH]c2c([nH+]1)[C@@H](C[C@@H](C)[NH3+])CCC2 76089435 572943060 /nfs/dbraw/zinc/94/30/60/572943060.db2.gz AWGSVODETADOSD-VXNVDRBHSA-N 2 0 193.294 1.875 10 0 ADAERP Cc1[nH]c2c([nH+]1)[C@H](C[C@H](C)[NH3+])CCC2 76089438 572943108 /nfs/dbraw/zinc/94/31/08/572943108.db2.gz AWGSVODETADOSD-CBAPKCEASA-N 2 0 193.294 1.875 10 0 ADAERP CCCC[NH2+][C@@H](C)C[NH2+]CCC 162281402 572943192 /nfs/dbraw/zinc/94/31/92/572943192.db2.gz AOCQHWACVDSXRI-JTQLQIEISA-N 2 0 172.316 1.764 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308207414 572943309 /nfs/dbraw/zinc/94/33/09/572943309.db2.gz DDCHPEPPWGKLRA-UKKRHICBSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]CC1CCC(C[NH3+])CC1 86478831 572943318 /nfs/dbraw/zinc/94/33/18/572943318.db2.gz UBNBHCSYVSRZGH-XKGSQUFQSA-N 2 0 196.338 1.750 10 0 ADAERP CCC[NH2+]CC1CCC(C[NH3+])CC1 86478769 572943355 /nfs/dbraw/zinc/94/33/55/572943355.db2.gz OOPGGOOTVBOBRE-UHFFFAOYSA-N 2 0 184.327 1.751 10 0 ADAERP [NH3+]CC1CCC(C[NH2+]CC2CC2)CC1 86478789 572943358 /nfs/dbraw/zinc/94/33/58/572943358.db2.gz WJFQUBQMFSNTBF-UHFFFAOYSA-N 2 0 196.338 1.751 10 0 ADAERP Cc1[nH]c2c([nH+]1)C[C@H]([C@@H](C)C[NH3+])CC2 76089417 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/nfs/dbraw/zinc/97/24/81/572972481.db2.gz MHUCXKAOVAFRDC-UHFFFAOYSA-N 2 0 182.311 1.601 10 0 ADAERP CC[C@@H](C)[NH2+][C@H](CC)CC[NH3+] 86682266 572972495 /nfs/dbraw/zinc/97/24/95/572972495.db2.gz OBDGCSAXKJNUNC-RKDXNWHRSA-N 2 0 158.289 1.502 10 0 ADAERP CCCC1C[NH+]([C@H]2CCC[C@H]2C[NH3+])C1 86679823 572972636 /nfs/dbraw/zinc/97/26/36/572972636.db2.gz RQESAVSEQQDPDP-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CCCC1C[NH+]([C@@H]2CCC[C@H]2C[NH3+])C1 86679821 572972719 /nfs/dbraw/zinc/97/27/19/572972719.db2.gz RQESAVSEQQDPDP-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP CCCC1C[NH+](CCCC[NH3+])C1 86682102 572972727 /nfs/dbraw/zinc/97/27/27/572972727.db2.gz RTMISTGZMUFYKY-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CC1C[NH+](CCCCC[NH3+])C1 86682329 572972763 /nfs/dbraw/zinc/97/27/63/572972763.db2.gz OYAIBEMBUROLFP-UHFFFAOYSA-N 2 0 156.273 1.067 10 0 ADAERP CCC1(CC)C[NH+](C[C@H](C)C[NH3+])C1 86682119 572972783 /nfs/dbraw/zinc/97/27/83/572972783.db2.gz NHKYPQWAHJWXCD-SNVBAGLBSA-N 2 0 184.327 1.703 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GPETWUWBSQNFLC-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H]1CC[N@@H+]1CCCCC[NH3+] 86682369 572973043 /nfs/dbraw/zinc/97/30/43/572973043.db2.gz MGXWMNMPEIBQKG-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP CC(C)C1C[NH+]([C@H](C)CC[NH3+])C1 86681949 572973049 /nfs/dbraw/zinc/97/30/49/572973049.db2.gz PCANQAFIZXHIHH-SECBINFHSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H](C[NH3+])C[NH+]1CC(C(C)(C)C)C1 86682165 572973183 /nfs/dbraw/zinc/97/31/83/572973183.db2.gz FXWVOATYMXENNV-SECBINFHSA-N 2 0 184.327 1.559 10 0 ADAERP C[C@H](CC[NH3+])[NH+]1CC(C(C)(C)C)C1 86681953 572973156 /nfs/dbraw/zinc/97/31/56/572973156.db2.gz TXRZJDXMMSAFDM-SECBINFHSA-N 2 0 184.327 1.702 10 0 ADAERP CCCC1C[NH+]([C@H](CC)CC[NH3+])C1 86682289 572973258 /nfs/dbraw/zinc/97/32/58/572973258.db2.gz IBKPQIMGQXOPEF-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CC2(CC2)C1 86682277 572973271 /nfs/dbraw/zinc/97/32/71/572973271.db2.gz QBBYCHOYAXSQMP-VIFPVBQESA-N 2 0 168.284 1.210 10 0 ADAERP CC(C)(C)C1C[NH+](CCCC[NH3+])C1 86682095 572973317 /nfs/dbraw/zinc/97/33/17/572973317.db2.gz PDNUJGNRRWJFLS-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CC2(CC2)C1 86682278 572973335 /nfs/dbraw/zinc/97/33/35/572973335.db2.gz QBBYCHOYAXSQMP-SECBINFHSA-N 2 0 168.284 1.210 10 0 ADAERP CCC1C[NH+]([C@H](CC)CC[NH3+])C1 86682217 572973355 /nfs/dbraw/zinc/97/33/55/572973355.db2.gz IWDRYHJLMQEELZ-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CCC1C[NH+](CCCCC[NH3+])C1 86682336 572973391 /nfs/dbraw/zinc/97/33/91/572973391.db2.gz DGNZAHQTZPPZIL-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CC2(CCC2)C1 86682282 572973411 /nfs/dbraw/zinc/97/34/11/572973411.db2.gz MCBRHAFJLMTXQU-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CCCC1C[NH+]([C@@H](C)CC[NH3+])C1 86681963 572973432 /nfs/dbraw/zinc/97/34/32/572973432.db2.gz TZTIGFIFPRGIRE-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CCC1C[NH+]([C@@H](CC)CC[NH3+])C1 86682215 572973455 /nfs/dbraw/zinc/97/34/55/572973455.db2.gz IWDRYHJLMQEELZ-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CC(C)(C)C1 86682190 572973499 /nfs/dbraw/zinc/97/34/99/572973499.db2.gz XDIJMMWISSYABL-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@H](CC[NH3+])[NH+]1CC2(CCCC2)C1 86682195 572973517 /nfs/dbraw/zinc/97/35/17/572973517.db2.gz DLMKNOYKVSTYMG-LLVKDONJSA-N 2 0 196.338 1.990 10 0 ADAERP CCCC1C[NH+]([C@@H](CC)CC[NH3+])C1 86682285 572973529 /nfs/dbraw/zinc/97/35/29/572973529.db2.gz IBKPQIMGQXOPEF-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC[NH2+]C1CCC([NH2+]C(C)C)CC1 86681021 572973560 /nfs/dbraw/zinc/97/35/60/572973560.db2.gz MDOTWVRBMAMTHT-UHFFFAOYSA-N 2 0 184.327 1.905 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CC2(CCC2)C1 86682281 572973595 /nfs/dbraw/zinc/97/35/95/572973595.db2.gz MCBRHAFJLMTXQU-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CC2(CCCC2)C1 86682193 572973641 /nfs/dbraw/zinc/97/36/41/572973641.db2.gz DLMKNOYKVSTYMG-NSHDSACASA-N 2 0 196.338 1.990 10 0 ADAERP [NH3+]CCCCC[NH+]1CC2(CCC2)C1 86682360 572973646 /nfs/dbraw/zinc/97/36/46/572973646.db2.gz RGXMOYSBFYVQQP-UHFFFAOYSA-N 2 0 182.311 1.601 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CC(C(C)C)C1 86682250 572973656 /nfs/dbraw/zinc/97/36/56/572973656.db2.gz DAJRUCVCAZZFNL-NSHDSACASA-N 2 0 184.327 1.702 10 0 ADAERP CCC1(CC)C[NH+](C[C@@H](C)C[NH3+])C1 86682118 572973695 /nfs/dbraw/zinc/97/36/95/572973695.db2.gz NHKYPQWAHJWXCD-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CCC1(CC)C[NH+](CCCC[NH3+])C1 86682074 572973700 /nfs/dbraw/zinc/97/37/00/572973700.db2.gz LLWRNKXOMZIJCL-UHFFFAOYSA-N 2 0 184.327 1.847 10 0 ADAERP CCCC1C[NH+](C[C@H](C)C[NH3+])C1 86682183 572973725 /nfs/dbraw/zinc/97/37/25/572973725.db2.gz SWTZCQOQPSMDCZ-SECBINFHSA-N 2 0 170.300 1.313 10 0 ADAERP [NH3+]CCCC[NH+]1CC2(CCC2)C1 86682099 572973731 /nfs/dbraw/zinc/97/37/31/572973731.db2.gz IVGAMRDHOXYWDJ-UHFFFAOYSA-N 2 0 168.284 1.211 10 0 ADAERP CC[C@@H](C)[NH2+]C1CCC([NH2+]C)CC1 86680542 572973735 /nfs/dbraw/zinc/97/37/35/572973735.db2.gz 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86682320 572973970 /nfs/dbraw/zinc/97/39/70/572973970.db2.gz ATVBSGWJDJURNE-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)C1C[NH+](C[C@H](C)C[NH3+])C1 86682158 572973991 /nfs/dbraw/zinc/97/39/91/572973991.db2.gz GZMNNAJTPXLPNM-SECBINFHSA-N 2 0 170.300 1.169 10 0 ADAERP C=COCCC[NH2+]C1CCC([NH3+])CC1 86725700 572974103 /nfs/dbraw/zinc/97/41/03/572974103.db2.gz VWOCBJKIZREDRL-UHFFFAOYSA-N 2 0 198.310 1.396 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CCc2cccnc21 86734448 572976194 /nfs/dbraw/zinc/97/61/94/572976194.db2.gz LVHCQGSZUMQXJP-JTQLQIEISA-N 2 0 191.278 1.007 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 236304114 572976668 /nfs/dbraw/zinc/97/66/68/572976668.db2.gz MJQFMSAFYUVOJK-GHMZBOCLSA-N 2 0 194.322 1.646 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCc2cccnc21 86734445 572976840 /nfs/dbraw/zinc/97/68/40/572976840.db2.gz LVHCQGSZUMQXJP-SNVBAGLBSA-N 2 0 191.278 1.007 10 0 ADAERP C[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)[C@H](C)C1 51732113 572977529 /nfs/dbraw/zinc/97/75/29/572977529.db2.gz 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184.327 1.846 10 0 ADAERP CC[N@H+](CC1CC1)C[C@](C)(N)CC 86810475 572982154 /nfs/dbraw/zinc/98/21/54/572982154.db2.gz UCIMCAOOLDTRQI-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@](C)(N)C[N@H+](C)C1CCCC1 86809005 572982218 /nfs/dbraw/zinc/98/22/18/572982218.db2.gz KGZRIKQONJSZKC-NSHDSACASA-N 2 0 184.327 1.988 10 0 ADAERP CC[C@](C)(N)C[N@H+](C)CC1CCC1 86810235 572982275 /nfs/dbraw/zinc/98/22/75/572982275.db2.gz LRLACYNWWLIJES-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@](C)([NH3+])C[NH2+]CC1CC1 86809344 572982285 /nfs/dbraw/zinc/98/22/85/572982285.db2.gz YHFASRIVZOSRDI-SECBINFHSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+]CC(C)(C)C 86809374 572982287 /nfs/dbraw/zinc/98/22/87/572982287.db2.gz FRGLQNDAVXJVCN-JTQLQIEISA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@@](C)([NH3+])C[NH2+]CCc1ccco1 86809683 572982300 /nfs/dbraw/zinc/98/23/00/572982300.db2.gz UCJYFBQFQDXNOP-LLVKDONJSA-N 2 0 196.294 1.539 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+]CCc1ccco1 86809680 572982307 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572993941 /nfs/dbraw/zinc/99/39/41/572993941.db2.gz ZQXTZRCVLBKILG-NKWVEPMBSA-N 2 0 199.323 1.277 10 0 ADAERP C[N@@H+]1CC[C@@H](CC2([NH3+])CCCC2)C1 257922032 572992668 /nfs/dbraw/zinc/99/26/68/572992668.db2.gz GGVLFFWZIIRXQC-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP F[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 689831308 572993206 /nfs/dbraw/zinc/99/32/06/572993206.db2.gz UKCYARUHFRXUJB-VHSXEESVSA-N 2 0 186.274 1.030 10 0 ADAERP CC(C)C(C)(C)C[NH2+]C/C=C\C[NH3+] 308215497 572993219 /nfs/dbraw/zinc/99/32/19/572993219.db2.gz ZMISOBPTKRBRIR-WAYWQWQTSA-N 2 0 184.327 1.773 10 0 ADAERP C[NH2+][C@@H]1CCN(C)[C@@H]1[C@@]1(C)C[C@H]1C 714616013 572993232 /nfs/dbraw/zinc/99/32/32/572993232.db2.gz JIPHBGHGOANFPM-ZNSHCXBVSA-N 2 0 182.311 1.325 10 0 ADAERP Cc1sccc1CN(C)C[C@H](C)[NH3+] 308216386 572993245 /nfs/dbraw/zinc/99/32/45/572993245.db2.gz ZVTJBPYPKHDOMJ-QMMMGPOBSA-N 2 0 198.335 1.836 10 0 ADAERP CC[C@]1([C@H]2CCC[NH2+]C2)CCCC[NH2+]1 258207977 572993410 /nfs/dbraw/zinc/99/34/10/572993410.db2.gz NTTAWGFIQOXXCG-NWDGAFQWSA-N 2 0 196.338 1.908 10 0 ADAERP F[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 689831418 572993457 /nfs/dbraw/zinc/99/34/57/572993457.db2.gz UKCYARUHFRXUJB-ZJUUUORDSA-N 2 0 186.274 1.030 10 0 ADAERP C[C@H](c1ccc(C[NH3+])[nH]1)[NH+](C)C 258526208 572993957 /nfs/dbraw/zinc/99/39/57/572993957.db2.gz MVRRRDBVUUXZNB-SSDOTTSWSA-N 2 0 167.256 1.096 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1C/C=C\C[NH3+] 258206262 572993962 /nfs/dbraw/zinc/99/39/62/572993962.db2.gz NSYZYXMPTOOYOD-MZBZXASESA-N 2 0 182.311 1.766 10 0 ADAERP C[C@]12C[C@@H]3C[C@]([NH3+])(C1)C[C@@]([NH3+])(C3)C2 104527332 572993965 /nfs/dbraw/zinc/99/39/65/572993965.db2.gz ASMGNUCUPROXPC-CKIJPRSSSA-N 2 0 180.295 1.385 10 0 ADAERP CC[C@]1([C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 258207980 572994149 /nfs/dbraw/zinc/99/41/49/572994149.db2.gz NTTAWGFIQOXXCG-VXGBXAGGSA-N 2 0 196.338 1.908 10 0 ADAERP C1C[C@@H]2[C@@H]([C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 123401018 572994828 /nfs/dbraw/zinc/99/48/28/572994828.db2.gz LZOSQUMHBKKPFM-GMTAPVOTSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@@H](CC[NH3+])CC1CC[NH+](C)CC1 259033297 572994389 /nfs/dbraw/zinc/99/43/89/572994389.db2.gz BXAONQRZKDAMGD-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP C[N@@H+]1CC[C@H](CC2([NH3+])CCCC2)C1 257922035 572994959 /nfs/dbraw/zinc/99/49/59/572994959.db2.gz GGVLFFWZIIRXQC-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP C[NH2+][C@@H]1CCN(C)[C@@H]1[C@]1(C)C[C@@H]1C 714616014 572994552 /nfs/dbraw/zinc/99/45/52/572994552.db2.gz JIPHBGHGOANFPM-ZRUFSTJUSA-N 2 0 182.311 1.325 10 0 ADAERP [NH3+][C@@H](C[C@H]1CCC[NH2+]C1)c1cc[nH]c1 259302276 572994565 /nfs/dbraw/zinc/99/45/65/572994565.db2.gz KDFCFYXPXNKWTK-KOLCDFICSA-N 2 0 193.294 1.404 10 0 ADAERP C[NH2+]Cc1c[nH]c2cc(C[NH3+])ccc12 257921796 572994862 /nfs/dbraw/zinc/99/48/62/572994862.db2.gz CZVZZRNGXCYEGE-UHFFFAOYSA-N 2 0 189.262 1.346 10 0 ADAERP CCC[C@H]1[C@H]([NH3+])CCC[N@@H+]1C 238240757 572995139 /nfs/dbraw/zinc/99/51/39/572995139.db2.gz AVWUKWOGABVEPK-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP F[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 689831294 572995255 /nfs/dbraw/zinc/99/52/55/572995255.db2.gz UKCYARUHFRXUJB-NXEZZACHSA-N 2 0 186.274 1.030 10 0 ADAERP CC[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C 259594130 572995333 /nfs/dbraw/zinc/99/53/33/572995333.db2.gz XXETZPYIQFPRKT-DTWKUNHWSA-N 2 0 156.273 1.127 10 0 ADAERP F[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 689831302 572995489 /nfs/dbraw/zinc/99/54/89/572995489.db2.gz UKCYARUHFRXUJB-UWVGGRQHSA-N 2 0 186.274 1.030 10 0 ADAERP CC[C@@]1([C@H]2CCC[NH2+]C2)CCCC[NH2+]1 258207978 572995865 /nfs/dbraw/zinc/99/58/65/572995865.db2.gz NTTAWGFIQOXXCG-RYUDHWBXSA-N 2 0 196.338 1.908 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)C1CC[NH2+]CC1 259593895 572995917 /nfs/dbraw/zinc/99/59/17/572995917.db2.gz XVKGBZHVAOZVQB-LBPRGKRZSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H](C[N@H+](C)CCC1CC1)[C@@H](C)[NH3+] 308219541 572996522 /nfs/dbraw/zinc/99/65/22/572996522.db2.gz KPRLMWOHLXJBCH-VHSXEESVSA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C 259594133 572996453 /nfs/dbraw/zinc/99/64/53/572996453.db2.gz XXETZPYIQFPRKT-IUCAKERBSA-N 2 0 156.273 1.127 10 0 ADAERP [NH3+]Cc1ccc2cc(C[NH3+])oc2c1 257917296 572996759 /nfs/dbraw/zinc/99/67/59/572996759.db2.gz CPASDRDPNGIACH-UHFFFAOYSA-N 2 0 176.219 1.350 10 0 ADAERP CCC[C@@H]([NH2+]C)C(C)(C)CC[NH3+] 259593830 572997011 /nfs/dbraw/zinc/99/70/11/572997011.db2.gz XVALXDWUFWMLRJ-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP C[NH2+][C@H](c1ccccc1C)C1C[NH2+]C1 259594117 572997029 /nfs/dbraw/zinc/99/70/29/572997029.db2.gz XXAUSCZIMUUYHG-LBPRGKRZSA-N 2 0 190.290 1.475 10 0 ADAERP C[NH2+][C@H](C1CCCC1)C1CC[NH2+]CC1 259593892 572997147 /nfs/dbraw/zinc/99/71/47/572997147.db2.gz XVKGBZHVAOZVQB-GFCCVEGCSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H](C[NH3+])CC[NH2+][C@H]1C[C@H]1C1CC1 717016953 572997149 /nfs/dbraw/zinc/99/71/49/572997149.db2.gz RUICTBBGAFEBPX-DLOVCJGASA-N 2 0 196.338 1.750 10 0 ADAERP CO[C@H](C)C[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 308219047 572997235 /nfs/dbraw/zinc/99/72/35/572997235.db2.gz 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CC[C@H](C[NH3+])CC[NH2+][C@@H]1C[C@@H]1C1CC1 717016957 572999592 /nfs/dbraw/zinc/99/95/92/572999592.db2.gz RUICTBBGAFEBPX-MVWJERBFSA-N 2 0 196.338 1.750 10 0 ADAERP CC[C@H](C[NH3+])CC[NH2+][C@@H]1C[C@H]1C1CC1 717016973 572999706 /nfs/dbraw/zinc/99/97/06/572999706.db2.gz RUICTBBGAFEBPX-ZMLRMANQSA-N 2 0 196.338 1.750 10 0 ADAERP [NH3+]Cc1cc2cccc(C[NH3+])c2[nH]1 257919343 572999730 /nfs/dbraw/zinc/99/97/30/572999730.db2.gz RBBKOLUPDWFEIN-UHFFFAOYSA-N 2 0 175.235 1.085 10 0 ADAERP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922504 573000332 /nfs/dbraw/zinc/00/03/32/573000332.db2.gz OGXSWHXEYMIUCA-OPRDCNLKSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1C[C@H](C2CC[NH+](C)CC2)[NH2+]1 259033376 573000340 /nfs/dbraw/zinc/00/03/40/573000340.db2.gz BORKDVPJJYPHBU-PSASIEDQSA-N 2 0 168.284 1.079 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[NH+]1CCCCC1 87921738 573000372 /nfs/dbraw/zinc/00/03/72/573000372.db2.gz GNEPMVNDSVLKSD-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCC1 87921407 573000410 /nfs/dbraw/zinc/00/04/10/573000410.db2.gz LYGXRRPBFSGFBU-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1C[C@H](C[C@H]2CCC[N@H+](C)C2)C[NH2+]1 258227912 573000506 /nfs/dbraw/zinc/00/05/06/573000506.db2.gz PHWYMWALLIRGAF-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@@H+]1CCC=C(C[C@H](C)[NH3+])C1 258210096 573000521 /nfs/dbraw/zinc/00/05/21/573000521.db2.gz VECHMXVRNIGFRL-VIFPVBQESA-N 2 0 168.284 1.376 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([C@@H]2C[NH2+][C@H](C)C2)C1 258210301 573000554 /nfs/dbraw/zinc/00/05/54/573000554.db2.gz OAIZFZHNWHUQPO-WOPDTQHZSA-N 2 0 196.338 1.715 10 0 ADAERP CC1(C)CC[NH+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87922976 573000654 /nfs/dbraw/zinc/00/06/54/573000654.db2.gz FHLWKJSTZNDNRK-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]([NH3+])[C@H](C)C[N@H+](C)CCC1CC1 308219536 573000661 /nfs/dbraw/zinc/00/06/61/573000661.db2.gz KPRLMWOHLXJBCH-NXEZZACHSA-N 2 0 184.327 1.702 10 0 ADAERP CC1CC[NH+]([C@@H]2CC[C@H]2C[NH3+])CC1 87921385 573000665 /nfs/dbraw/zinc/00/06/65/573000665.db2.gz SSMMIRASKIGTJY-WDEREUQCSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921337 573000779 /nfs/dbraw/zinc/00/07/79/573000779.db2.gz DBWXWRHFNPMSKF-OPRDCNLKSA-N 2 0 168.284 1.208 10 0 ADAERP CC[N@@H+]1CCC=C(C[C@@H](C)[NH3+])C1 258210094 573000859 /nfs/dbraw/zinc/00/08/59/573000859.db2.gz VECHMXVRNIGFRL-SECBINFHSA-N 2 0 168.284 1.376 10 0 ADAERP CC1(C)CC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923499 573000878 /nfs/dbraw/zinc/00/08/78/573000878.db2.gz BZQFYZAGZJAXPS-NXEZZACHSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])[C@@H]1C 87921287 573000980 /nfs/dbraw/zinc/00/09/80/573000980.db2.gz VYVBSONRNNLXJK-DDHJBXDOSA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]([C@H]2C[NH2+][C@H](C)C2)C1 258210295 573001040 /nfs/dbraw/zinc/00/10/40/573001040.db2.gz OAIZFZHNWHUQPO-IJLUTSLNSA-N 2 0 196.338 1.715 10 0 ADAERP CCC1CC[NH+]([C@H]2CC[C@H]2C[NH3+])CC1 87921230 573001113 /nfs/dbraw/zinc/00/11/13/573001113.db2.gz WJMIRGSAIVMECW-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([C@H]2C[NH2+][C@H](C)C2)C1 258210292 573001144 /nfs/dbraw/zinc/00/11/44/573001144.db2.gz OAIZFZHNWHUQPO-GRYCIOLGSA-N 2 0 196.338 1.715 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H]1[NH+]1CCCCCCC1 87921843 573001483 /nfs/dbraw/zinc/00/14/83/573001483.db2.gz VSIWCDKLWQZWBF-NEPJUHHUSA-N 2 0 196.338 1.990 10 0 ADAERP [NH3+]C[C@H]1CC[C@H]1[NH+]1CCCCC1 87921739 573001548 /nfs/dbraw/zinc/00/15/48/573001548.db2.gz RAMCEKMHSIJYGS-NXEZZACHSA-N 2 0 168.284 1.210 10 0 ADAERP C[N@@H+](C1CCCC1)[C@H]1CC[C@@H]1C[NH3+] 87921949 573001643 /nfs/dbraw/zinc/00/16/43/573001643.db2.gz NGJJRQNTYFQUBE-KOLCDFICSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@](F)(C[NH3+])C[C@H]1CCC[NH2+]C1 257923652 573001668 /nfs/dbraw/zinc/00/16/68/573001668.db2.gz RUGXCQULWBZNTB-BDAKNGLRSA-N 2 0 174.263 1.063 10 0 ADAERP C[NH2+][C@@H](C)c1ccc(C[NH3+])cc1 258470665 573001735 /nfs/dbraw/zinc/00/17/35/573001735.db2.gz IIFNBUBZYUHIQS-QMMMGPOBSA-N 2 0 164.252 1.426 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCC(C)CC1 87921382 573001885 /nfs/dbraw/zinc/00/18/85/573001885.db2.gz OHKIBARWQVJLFY-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCCC1 87921409 573002688 /nfs/dbraw/zinc/00/26/88/573002688.db2.gz LYGXRRPBFSGFBU-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCCCC1 87921736 573001971 /nfs/dbraw/zinc/00/19/71/573001971.db2.gz GNEPMVNDSVLKSD-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP CC[NH+](CC)[C@H]1CC[C@@H]1C[NH3+] 87921476 573001987 /nfs/dbraw/zinc/00/19/87/573001987.db2.gz AFKKJBXMTXWSJU-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]([C@@H]2C[NH2+][C@H](C)C2)C1 258210298 573002003 /nfs/dbraw/zinc/00/20/03/573002003.db2.gz OAIZFZHNWHUQPO-UTUOFQBUSA-N 2 0 196.338 1.715 10 0 ADAERP CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87922028 573002129 /nfs/dbraw/zinc/00/21/29/573002129.db2.gz YCXKSALNNBRQGW-IJLUTSLNSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+]C[C@H]1CC[C@H]1[NH+]1CCCCCC1 87921569 573002236 /nfs/dbraw/zinc/00/22/36/573002236.db2.gz HZQZJRRGTRSANC-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP CCC1CC[NH+]([C@@H]2CC[C@H]2C[NH3+])CC1 87921229 573002180 /nfs/dbraw/zinc/00/21/80/573002180.db2.gz WJMIRGSAIVMECW-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)CC[NH+]([C@H]2CC[C@@H]2C[NH3+])CC1 87922977 573002730 /nfs/dbraw/zinc/00/27/30/573002730.db2.gz FHLWKJSTZNDNRK-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87921716 573002301 /nfs/dbraw/zinc/00/23/01/573002301.db2.gz PVJUKZFSEIOLJJ-WRWGMCAJSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@@H]1C[C@H](C[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 258227910 573002313 /nfs/dbraw/zinc/00/23/13/573002313.db2.gz PHWYMWALLIRGAF-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87921686 573002457 /nfs/dbraw/zinc/00/24/57/573002457.db2.gz SREGHSRENNUKQN-BDAKNGLRSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])[C@H](C)C1 87922602 573002494 /nfs/dbraw/zinc/00/24/94/573002494.db2.gz ANCWQAKFLVAHMP-DDHJBXDOSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921499 573002514 /nfs/dbraw/zinc/00/25/14/573002514.db2.gz KGUAKBUUUXXYIF-GMTAPVOTSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H](C[NH3+])C[C@@H](c1cc[nH]c1)[NH+](C)C 259305833 573002549 /nfs/dbraw/zinc/00/25/49/573002549.db2.gz DEPQRLZLPQAJRP-ONGXEEELSA-N 2 0 195.310 1.602 10 0 ADAERP C[N@@H+](C1CCCCC1)[C@H]1CC[C@@H]1C[NH3+] 87921668 573002612 /nfs/dbraw/zinc/00/26/12/573002612.db2.gz OWJQITUVEYOAHD-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921928 573002645 /nfs/dbraw/zinc/00/26/45/573002645.db2.gz VEZAGJKVJPHXKC-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+][C@H](C[C@@H](C)C[NH3+])c1ccc(C)o1 259307513 573002913 /nfs/dbraw/zinc/00/29/13/573002913.db2.gz JFDBUQSDFGXMKR-PSASIEDQSA-N 2 0 196.294 1.833 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCCC1 87921408 573002921 /nfs/dbraw/zinc/00/29/21/573002921.db2.gz LYGXRRPBFSGFBU-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87923130 573002971 /nfs/dbraw/zinc/00/29/71/573002971.db2.gz QKCSRMRAFZUSNY-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@@H]1CCC[NH2+]C1 259307684 573002944 /nfs/dbraw/zinc/00/29/44/573002944.db2.gz JGYMMZJEAHOFMC-NEPJUHHUSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H](C[NH2+]C)[C@H](C(C)C)[NH+](C)C 259306400 573003119 /nfs/dbraw/zinc/00/31/19/573003119.db2.gz WPJXDPMGNDKMOC-MNOVXSKESA-N 2 0 186.343 1.818 10 0 ADAERP CC1(C)CC[NH+]([C@H]2CC[C@H]2C[NH3+])CC1 87922979 573003219 /nfs/dbraw/zinc/00/32/19/573003219.db2.gz FHLWKJSTZNDNRK-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@@H](C(C)C)[NH+](C)C 259306402 573003226 /nfs/dbraw/zinc/00/32/26/573003226.db2.gz WPJXDPMGNDKMOC-WDEREUQCSA-N 2 0 186.343 1.818 10 0 ADAERP CC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921908 573003260 /nfs/dbraw/zinc/00/32/60/573003260.db2.gz ZXAGDSAPDZXCGQ-GMTAPVOTSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@H]1CCC[NH2+]C1 259307687 573003290 /nfs/dbraw/zinc/00/32/90/573003290.db2.gz JGYMMZJEAHOFMC-NWDGAFQWSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1C[NH+]([C@@H]2CC[C@@H]2C[NH3+])C[C@H]1C 87923440 573003315 /nfs/dbraw/zinc/00/33/15/573003315.db2.gz VBNFOCFYTGWJGW-GWOFURMSSA-N 2 0 182.311 1.312 10 0 ADAERP C[NH2+][C@H](C[C@H](C)C[NH3+])c1ccc(C)o1 259307518 573003363 /nfs/dbraw/zinc/00/33/63/573003363.db2.gz JFDBUQSDFGXMKR-WCBMZHEXSA-N 2 0 196.294 1.833 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[NH+]1CCC(C)CC1 87921379 573003393 /nfs/dbraw/zinc/00/33/93/573003393.db2.gz OHKIBARWQVJLFY-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 82367071 573003420 /nfs/dbraw/zinc/00/34/20/573003420.db2.gz YZLZCIBKMVTBHQ-ULKQDVFKSA-N 2 0 168.284 1.269 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCCCC1 87921737 573003451 /nfs/dbraw/zinc/00/34/51/573003451.db2.gz GNEPMVNDSVLKSD-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H]1[NH+]1CCCCC1 87921740 573003464 /nfs/dbraw/zinc/00/34/64/573003464.db2.gz RAMCEKMHSIJYGS-ZJUUUORDSA-N 2 0 168.284 1.210 10 0 ADAERP CC[C@]1(C2CC[NH+](C)CC2)CCC[NH2+]1 258216573 573003501 /nfs/dbraw/zinc/00/35/01/573003501.db2.gz OMPGVEJLRMTGRR-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H]1[NH+]1CCCCCC1 87921572 573003520 /nfs/dbraw/zinc/00/35/20/573003520.db2.gz HZQZJRRGTRSANC-QWRGUYRKSA-N 2 0 182.311 1.600 10 0 ADAERP C[NH+](C)[C@H](C1CCCC1)C1C[NH2+]C1 259305868 573003525 /nfs/dbraw/zinc/00/35/25/573003525.db2.gz DEVDPPXBCRRYFY-LLVKDONJSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[C@@H](C2CC[NH+](C)CC2)[NH2+]1 259033378 573003537 /nfs/dbraw/zinc/00/35/37/573003537.db2.gz BORKDVPJJYPHBU-SCZZXKLOSA-N 2 0 168.284 1.079 10 0 ADAERP CC[C@H]1CC[C@@H](C)N1C[C@H](C)[NH2+]C 308220213 573003543 /nfs/dbraw/zinc/00/35/43/573003543.db2.gz OAZXKUPEHLEZJT-AXFHLTTASA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH+](CC)[C@H]1CC[C@H]1C[NH3+] 87921478 573003646 /nfs/dbraw/zinc/00/36/46/573003646.db2.gz AFKKJBXMTXWSJU-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921685 573003695 /nfs/dbraw/zinc/00/36/95/573003695.db2.gz SREGHSRENNUKQN-RKDXNWHRSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923388 573004107 /nfs/dbraw/zinc/00/41/07/573004107.db2.gz ZISIQOGUHNKFCT-GRYCIOLGSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C[C@@H]1C 87923438 573003775 /nfs/dbraw/zinc/00/37/75/573003775.db2.gz VBNFOCFYTGWJGW-LMLFDSFASA-N 2 0 182.311 1.312 10 0 ADAERP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923378 573003904 /nfs/dbraw/zinc/00/39/04/573003904.db2.gz SEDKJBJIVYNCFK-WRWGMCAJSA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](/C=C\C[NH3+])C1 258214468 573003929 /nfs/dbraw/zinc/00/39/29/573003929.db2.gz OICBCBCGBCBSTK-XOULXFPDSA-N 2 0 168.284 1.232 10 0 ADAERP CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922350 573003931 /nfs/dbraw/zinc/00/39/31/573003931.db2.gz JSHNIAXITYIBEG-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCCC1 87921735 573004004 /nfs/dbraw/zinc/00/40/04/573004004.db2.gz GNEPMVNDSVLKSD-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCCCCC1 87921565 573004027 /nfs/dbraw/zinc/00/40/27/573004027.db2.gz QCQJULLBZSMAJZ-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@H](C)c1ccc(C[NH3+])cc1 258470663 573004108 /nfs/dbraw/zinc/00/41/08/573004108.db2.gz IIFNBUBZYUHIQS-MRVPVSSYSA-N 2 0 164.252 1.426 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@H]1C[NH3+] 87921477 573004146 /nfs/dbraw/zinc/00/41/46/573004146.db2.gz AFKKJBXMTXWSJU-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87921475 573004229 /nfs/dbraw/zinc/00/42/29/573004229.db2.gz AFKKJBXMTXWSJU-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)(C)[C@@H]1[C@@H](C[NH3+])C2CC[NH+]1CC2 258215254 573004306 /nfs/dbraw/zinc/00/43/06/573004306.db2.gz XZLHXBXYVRTSMW-QWRGUYRKSA-N 2 0 196.338 1.702 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCCCCC1 87921566 573004440 /nfs/dbraw/zinc/00/44/40/573004440.db2.gz QCQJULLBZSMAJZ-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CCC1CC[NH+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87921227 573004599 /nfs/dbraw/zinc/00/45/99/573004599.db2.gz WJMIRGSAIVMECW-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](/C=C\C[NH3+])C1 258214467 573004630 /nfs/dbraw/zinc/00/46/30/573004630.db2.gz OICBCBCGBCBSTK-UMBAGQNISA-N 2 0 168.284 1.232 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccco1 42593989 573004650 /nfs/dbraw/zinc/00/46/50/573004650.db2.gz SSYJNEQCWBJYGH-DTWKUNHWSA-N 2 0 182.267 1.147 10 0 ADAERP [NH3+]C[C@@H]1CC[C@H]1[NH+]1CCCCCCC1 87921844 573004698 /nfs/dbraw/zinc/00/46/98/573004698.db2.gz VSIWCDKLWQZWBF-NWDGAFQWSA-N 2 0 196.338 1.990 10 0 ADAERP CC(C)(C)[C@H]1[C@@H](C[NH3+])C2CC[NH+]1CC2 258215259 573004710 /nfs/dbraw/zinc/00/47/10/573004710.db2.gz XZLHXBXYVRTSMW-WDEREUQCSA-N 2 0 196.338 1.702 10 0 ADAERP CCC[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87921929 573004762 /nfs/dbraw/zinc/00/47/62/573004762.db2.gz VEZAGJKVJPHXKC-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP [NH3+]C[C@@H](C[NH2+]C1CC1)C1CCC1 258215147 573004803 /nfs/dbraw/zinc/00/48/03/573004803.db2.gz JZTWSVDRZTYDBJ-VIFPVBQESA-N 2 0 168.284 1.113 10 0 ADAERP CC1CC[NH+]([C@H]2CC[C@@H]2C[NH3+])CC1 87921384 573004861 /nfs/dbraw/zinc/00/48/61/573004861.db2.gz SSMMIRASKIGTJY-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+](C1CCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87921948 573004879 /nfs/dbraw/zinc/00/48/79/573004879.db2.gz NGJJRQNTYFQUBE-MWLCHTKSSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCCCCC1 87921567 573004983 /nfs/dbraw/zinc/00/49/83/573004983.db2.gz QCQJULLBZSMAJZ-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC1(C)CCC[N@@H+]([C@H]2CC[C@@H]2C[NH3+])C1 87923281 573005105 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ACLRRZKOZNPOFU-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP CC1(C)CC[N@@H+]([C@H]2CC[C@@H]2C[NH3+])C1 87923500 573005356 /nfs/dbraw/zinc/00/53/56/573005356.db2.gz BZQFYZAGZJAXPS-ZJUUUORDSA-N 2 0 182.311 1.456 10 0 ADAERP CCC1CC[NH+]([C@H]2CC[C@@H]2C[NH3+])CC1 87921228 573005393 /nfs/dbraw/zinc/00/53/93/573005393.db2.gz WJMIRGSAIVMECW-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]C[C@H]1CC[C@H]1[NH+]1CCCC1 87921410 573005414 /nfs/dbraw/zinc/00/54/14/573005414.db2.gz LYGXRRPBFSGFBU-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)(C)[C@@H]1[C@H](C[NH3+])C2CC[NH+]1CC2 258215251 573005435 /nfs/dbraw/zinc/00/54/35/573005435.db2.gz XZLHXBXYVRTSMW-MNOVXSKESA-N 2 0 196.338 1.702 10 0 ADAERP CC1(C)CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923280 573005486 /nfs/dbraw/zinc/00/54/86/573005486.db2.gz HUPSRRZHVKNKIC-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H]1[NH+]1CCCCCCC1 87921845 573005540 /nfs/dbraw/zinc/00/55/40/573005540.db2.gz VSIWCDKLWQZWBF-RYUDHWBXSA-N 2 0 196.338 1.990 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+]1CCC(C)(C)C1 87923498 573005566 /nfs/dbraw/zinc/00/55/66/573005566.db2.gz ACLRRZKOZNPOFU-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+][C@@H]1[C@H]2CC[C@@H]1[C@@H]([NH+](C)C)CC2 238250924 573005574 /nfs/dbraw/zinc/00/55/74/573005574.db2.gz HDXLJCRPMGCGRZ-WHOHXGKFSA-N 2 0 196.338 1.715 10 0 ADAERP CC1CC[NH+]([C@H]2CC[C@H]2C[NH3+])CC1 87921386 573005640 /nfs/dbraw/zinc/00/56/40/573005640.db2.gz SSMMIRASKIGTJY-QWRGUYRKSA-N 2 0 182.311 1.456 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@H](C(C)C)[NH+](C)C 259306401 573005617 /nfs/dbraw/zinc/00/56/17/573005617.db2.gz WPJXDPMGNDKMOC-QWRGUYRKSA-N 2 0 186.343 1.818 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H]1[NH+]1CCCCCC1 87921570 573005955 /nfs/dbraw/zinc/00/59/55/573005955.db2.gz HZQZJRRGTRSANC-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP CC1CC[NH+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87921383 573005694 /nfs/dbraw/zinc/00/56/94/573005694.db2.gz SSMMIRASKIGTJY-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP 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573010470 /nfs/dbraw/zinc/01/04/70/573010470.db2.gz YNKGVEOSYONZEU-VXGBXAGGSA-N 2 0 194.322 1.376 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1/C=C\CC[NH3+] 258218763 573010636 /nfs/dbraw/zinc/01/06/36/573010636.db2.gz OPIPEQPPRYDKDH-RILPQGNRSA-N 2 0 168.284 1.376 10 0 ADAERP C[NH2+]CC/C=C\C1CC[NH+](C)CC1 258221819 573010628 /nfs/dbraw/zinc/01/06/28/573010628.db2.gz OYVIBMMUXJVOHS-HYXAFXHYSA-N 2 0 182.311 1.494 10 0 ADAERP C[C@@H](C[NH2+][C@H]1CCC1(C)C)C1C[NH2+]C1 308474094 573010702 /nfs/dbraw/zinc/01/07/02/573010702.db2.gz CYVMXCSZZSGQSV-ONGXEEELSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@H](C[NH2+][C@@H]1CCC1(C)C)C1C[NH2+]C1 308474093 573010745 /nfs/dbraw/zinc/01/07/45/573010745.db2.gz CYVMXCSZZSGQSV-MWLCHTKSSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@H](C[NH2+][C@H]1CCC1(C)C)C1C[NH2+]C1 308474092 573010861 /nfs/dbraw/zinc/01/08/61/573010861.db2.gz CYVMXCSZZSGQSV-KOLCDFICSA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@H]([NH2+]C)[C@H](C[NH2+]C)C(C)C 259309099 573010946 /nfs/dbraw/zinc/01/09/46/573010946.db2.gz 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OPPVADXGVRPNHR-UWVGGRQHSA-N 2 0 168.284 1.271 10 0 ADAERP C1C[NH2+]C[C@]2(C1)C[C@@H]2C1CC[NH2+]CC1 258220896 573013048 /nfs/dbraw/zinc/01/30/48/573013048.db2.gz YNKGVEOSYONZEU-NEPJUHHUSA-N 2 0 194.322 1.376 10 0 ADAERP C[C@]1([C@@H]2CCC[NH2+]2)CCCC[NH2+]1 258218814 573013269 /nfs/dbraw/zinc/01/32/69/573013269.db2.gz OPPVADXGVRPNHR-VHSXEESVSA-N 2 0 168.284 1.271 10 0 ADAERP CC[NH+]1CCC(/C=C\C[NH2+]C)CC1 258218388 573013294 /nfs/dbraw/zinc/01/32/94/573013294.db2.gz ONGNUVTVEVICEE-PLNGDYQASA-N 2 0 182.311 1.494 10 0 ADAERP [NH3+][C@@H]1C2CCN(CC2)[C@@H]1C1CCCC1 258220881 573013321 /nfs/dbraw/zinc/01/33/21/573013321.db2.gz YNIBOLWHMYCMPT-VXGBXAGGSA-N 2 0 194.322 1.598 10 0 ADAERP C[N@@H+]1CCCC[C@H]1/C=C\CC[NH3+] 258218761 573013392 /nfs/dbraw/zinc/01/33/92/573013392.db2.gz OPIPEQPPRYDKDH-LGIFSFGNSA-N 2 0 168.284 1.376 10 0 ADAERP C[N@@H+]1CCC[C@@H]1C[C@]1(C)CCC[NH2+]1 258220035 573013407 /nfs/dbraw/zinc/01/34/07/573013407.db2.gz ORDHWBAZSSHUEC-MNOVXSKESA-N 2 0 182.311 1.613 10 0 ADAERP CC[C@@](C)(C[NH3+])C[NH2+]CC(C)(C)C 128482317 573022822 /nfs/dbraw/zinc/02/28/22/573022822.db2.gz YQCKFNUQXOGPGN-NSHDSACASA-N 2 0 186.343 1.997 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@](C)(CC)C[NH3+] 128476585 573023537 /nfs/dbraw/zinc/02/35/37/573023537.db2.gz VIBQSVSWVMEVKP-UWVGGRQHSA-N 2 0 172.316 1.750 10 0 ADAERP CC(C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49633210 573014756 /nfs/dbraw/zinc/01/47/56/573014756.db2.gz UHPVHVPXFCGTMD-NSHDSACASA-N 2 0 184.327 1.859 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]C[C@@H]([NH3+])CC1CC1 308479953 573014838 /nfs/dbraw/zinc/01/48/38/573014838.db2.gz GJXNAZAYMPAOCK-WDEREUQCSA-N 2 0 196.338 1.892 10 0 ADAERP CC[N@H+](CCCCF)C[C@@H](C)C[NH3+] 308223401 573014840 /nfs/dbraw/zinc/01/48/40/573014840.db2.gz PMJXRMBHRYMTNE-JTQLQIEISA-N 2 0 190.306 1.653 10 0 ADAERP C[N@@H+]1CC(C)(C)[NH2+]C[C@H]2CCCC[C@@H]21 82385540 573015077 /nfs/dbraw/zinc/01/50/77/573015077.db2.gz XLWYNYJKVSZBJY-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+]Cc1cnc([C@H]2CCCC[NH2+]2)s1 258225566 573015049 /nfs/dbraw/zinc/01/50/49/573015049.db2.gz VGSNUKPRDDSYFE-MRVPVSSYSA-N 2 0 197.307 1.416 10 0 ADAERP CC[N@H+](CCCCF)C[C@H](C)C[NH3+] 308223405 573015052 /nfs/dbraw/zinc/01/50/52/573015052.db2.gz PMJXRMBHRYMTNE-SNVBAGLBSA-N 2 0 190.306 1.653 10 0 ADAERP CC[NH+](CC)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 238257012 573015775 /nfs/dbraw/zinc/01/57/75/573015775.db2.gz FEJKMSKOQKHERS-AXFHLTTASA-N 2 0 184.327 1.844 10 0 ADAERP C[NH+](C)[C@H](c1ccc[nH]1)C1CC([NH3+])C1 259312158 573015856 /nfs/dbraw/zinc/01/58/56/573015856.db2.gz DJVGIHXPWPVZKZ-AMUVOQDHSA-N 2 0 193.294 1.355 10 0 ADAERP C(C[C@@H]1CC[C@@H]2C[C@H]12)[NH2+]C[C@@H]1CC[NH2+]1 717047411 573016182 /nfs/dbraw/zinc/01/61/82/573016182.db2.gz LYNIADRUSZBINP-WHOHXGKFSA-N 2 0 194.322 1.374 10 0 ADAERP CC[N@@H+]1CC[C@H](C[C@@]2(C)CCC[NH2+]2)C1 258225887 573015901 /nfs/dbraw/zinc/01/59/01/573015901.db2.gz PFGSMMDMPCFIGA-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[C@@]2(C)CCC[NH2+]2)C1 258225881 573017007 /nfs/dbraw/zinc/01/70/07/573017007.db2.gz PFGSMMDMPCFIGA-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+]CCCC1CCC([NH3+])CC1 113599078 573016007 /nfs/dbraw/zinc/01/60/07/573016007.db2.gz LIYPWFKBVHPWNB-UHFFFAOYSA-N 2 0 156.273 1.243 10 0 ADAERP CC[N@@H+]1CC[C@H](C[C@]2(C)CCC[NH2+]2)C1 258225879 573016424 /nfs/dbraw/zinc/01/64/24/573016424.db2.gz PFGSMMDMPCFIGA-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+]Cc1cnc([C@@H]2CCCC[NH2+]2)s1 258225568 573018043 /nfs/dbraw/zinc/01/80/43/573018043.db2.gz VGSNUKPRDDSYFE-QMMMGPOBSA-N 2 0 197.307 1.416 10 0 ADAERP [NH3+]C1(CCC2CC[NH2+]CC2)CCC1 257923910 573018163 /nfs/dbraw/zinc/01/81/63/573018163.db2.gz GLPNNAMNACSCRR-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP [NH3+]C1(CC2CC[NH2+]CC2)CCCC1 257923948 573018211 /nfs/dbraw/zinc/01/82/11/573018211.db2.gz GNCYTQAWRYACID-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP CC[C@H]1[C@@H]2CCCC[C@H]2[NH2+]CC[N@@H+]1C 82385522 573018271 /nfs/dbraw/zinc/01/82/71/573018271.db2.gz SAXDSYICVYJSGD-UTUOFQBUSA-N 2 0 196.338 1.859 10 0 ADAERP C[N@H+](CCC[NH3+])[C@@H]1CCC[C@H]2C[C@H]21 308227130 573018349 /nfs/dbraw/zinc/01/83/49/573018349.db2.gz RAUAMGORRNYEMY-HBNTYKKESA-N 2 0 182.311 1.456 10 0 ADAERP [NH3+]CCCc1ccc2c(c1)C[NH2+]C2 258224668 573018541 /nfs/dbraw/zinc/01/85/41/573018541.db2.gz RFCVUYQBKLTWHJ-UHFFFAOYSA-N 2 0 176.263 1.181 10 0 ADAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CCC1 308226522 573018758 /nfs/dbraw/zinc/01/87/58/573018758.db2.gz QXCXOKHHSUVRAE-LLVKDONJSA-N 2 0 182.311 1.469 10 0 ADAERP CCC[C@@H](CN)[NH2+]C[C@H](C)C(C)C 308225876 573019559 /nfs/dbraw/zinc/01/95/59/573019559.db2.gz QTECFCFLKCNVNA-QWRGUYRKSA-N 2 0 186.343 1.996 10 0 ADAERP CC[C@H]1CC[C@@H](C)[N@H+](CCC(N)=[NH2+])C1 308483311 573019642 /nfs/dbraw/zinc/01/96/42/573019642.db2.gz NSVJLDJDSHSZCY-ZJUUUORDSA-N 2 0 197.326 1.823 10 0 ADAERP C[NH+](C)[C@@H](c1ccc[nH]1)C1CC([NH3+])C1 259312163 573020295 /nfs/dbraw/zinc/02/02/95/573020295.db2.gz DJVGIHXPWPVZKZ-NWGYLPEXSA-N 2 0 193.294 1.355 10 0 ADAERP CC1(C)C[C@](C)([NH3+])C[C@@](C)([NH3+])C1 113616589 573020325 /nfs/dbraw/zinc/02/03/25/573020325.db2.gz OTRXVSZKKJNESC-UWVGGRQHSA-N 2 0 170.300 1.631 10 0 ADAERP CC1(C)C[C@@](C)([NH3+])C[C@](C)([NH3+])C1 113616592 573020316 /nfs/dbraw/zinc/02/03/16/573020316.db2.gz OTRXVSZKKJNESC-NXEZZACHSA-N 2 0 170.300 1.631 10 0 ADAERP CCC[N@H+](CC(C)C)C[C@H]1CC[NH2+]C1 308484881 573020613 /nfs/dbraw/zinc/02/06/13/573020613.db2.gz NUCJWPHNNITTKU-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[C@H](C[NH2+]C1CC1)N1CCC1 308226523 573020689 /nfs/dbraw/zinc/02/06/89/573020689.db2.gz QXCXOKHHSUVRAE-NSHDSACASA-N 2 0 182.311 1.469 10 0 ADAERP CCC[C@@H](CN)[NH2+]C[C@@H](C)C(C)C 308225875 573021577 /nfs/dbraw/zinc/02/15/77/573021577.db2.gz QTECFCFLKCNVNA-MNOVXSKESA-N 2 0 186.343 1.996 10 0 ADAERP CC[N@@H+]1CCC=C(CCC[NH2+]C)C1 258227475 573021583 /nfs/dbraw/zinc/02/15/83/573021583.db2.gz WFUNZRZHWSKKNU-UHFFFAOYSA-N 2 0 182.311 1.638 10 0 ADAERP CC[C@@H](C)N(CCOC)C[C@H](C)[NH3+] 158476782 573021674 /nfs/dbraw/zinc/02/16/74/573021674.db2.gz LFQDJYHFOWCEDA-VHSXEESVSA-N 2 0 188.315 1.081 10 0 ADAERP CC[C@@H]1CC[C@H](C)[N@H+](CCC(N)=[NH2+])C1 308483310 573021685 /nfs/dbraw/zinc/02/16/85/573021685.db2.gz NSVJLDJDSHSZCY-VHSXEESVSA-N 2 0 197.326 1.823 10 0 ADAERP NC[C@@]1(c2cccc(F)c2)CCC[NH2+]1 258228720 573021791 /nfs/dbraw/zinc/02/17/91/573021791.db2.gz PCGITCQQTPVVIP-LLVKDONJSA-N 2 0 194.253 1.363 10 0 ADAERP CCCC[N@@H+]1CC[NH2+][C@H](CC)CC1 49660890 573021804 /nfs/dbraw/zinc/02/18/04/573021804.db2.gz DTBDUJAEOGTHGX-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[N@@H+](Cc1ccco1)C[C@H]1C[C@H]1C[NH3+] 715117018 573022037 /nfs/dbraw/zinc/02/20/37/573022037.db2.gz YPVQWLZEQCOCDH-VHSXEESVSA-N 2 0 194.278 1.306 10 0 ADAERP CC[N@@H+]1CCC[C@H]1C[C@@H]1NCCCO1 258473212 573022086 /nfs/dbraw/zinc/02/20/86/573022086.db2.gz KYZUTCYTGLPUBV-WDEREUQCSA-N 2 0 198.310 1.197 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 85438496 573022168 /nfs/dbraw/zinc/02/21/68/573022168.db2.gz HRVMOHQIZIRLND-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 85438545 573022573 /nfs/dbraw/zinc/02/25/73/573022573.db2.gz FGDLRTHVXLDYSW-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[N@H+](CCC[NH3+])[C@@H]1CCC[C@@H]2C[C@@H]21 308227132 573022636 /nfs/dbraw/zinc/02/26/36/573022636.db2.gz RAUAMGORRNYEMY-OUAUKWLOSA-N 2 0 182.311 1.456 10 0 ADAERP COC[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 85438723 573022656 /nfs/dbraw/zinc/02/26/56/573022656.db2.gz XIFPBFQJYOBIFD-LLVKDONJSA-N 2 0 198.310 1.054 10 0 ADAERP CCC[N@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 308484879 573022676 /nfs/dbraw/zinc/02/26/76/573022676.db2.gz NUCJWPHNNITTKU-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP CCCC[NH2+]C[C@@](C)(CC)C[NH3+] 128480524 573022758 /nfs/dbraw/zinc/02/27/58/573022758.db2.gz JEXWYABWEQTDDE-JTQLQIEISA-N 2 0 172.316 1.751 10 0 ADAERP C[N@@H+]1CCC[C@]12C=CC[C@@H](C[NH3+])C2 113690431 573022780 /nfs/dbraw/zinc/02/27/80/573022780.db2.gz DTHWDYOOXMQZQK-MNOVXSKESA-N 2 0 180.295 1.376 10 0 ADAERP C[N@@H+]1CCCC[C@H](C[NH3+])[C@H]1C1CC1 82394902 573022824 /nfs/dbraw/zinc/02/28/24/573022824.db2.gz KTGYCROXBBUWAG-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP CC[C@H]1CC[C@H](C)[N@H+](CCC(N)=[NH2+])C1 308483309 573022844 /nfs/dbraw/zinc/02/28/44/573022844.db2.gz NSVJLDJDSHSZCY-UWVGGRQHSA-N 2 0 197.326 1.823 10 0 ADAERP C[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 82401784 573022989 /nfs/dbraw/zinc/02/29/89/573022989.db2.gz HSTKGKJDRKGGLK-JTQLQIEISA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH2+]CC(C)C 128477910 573023554 /nfs/dbraw/zinc/02/35/54/573023554.db2.gz RTHTVGKOFPYTES-SNVBAGLBSA-N 2 0 172.316 1.607 10 0 ADAERP CC[C@@H]1CC[C@@H](C)[N@H+](CCC(N)=[NH2+])C1 308483308 573023762 /nfs/dbraw/zinc/02/37/62/573023762.db2.gz NSVJLDJDSHSZCY-NXEZZACHSA-N 2 0 197.326 1.823 10 0 ADAERP CCCC[NH2+]C[C@](C)(CC)C[NH3+] 128480740 573023885 /nfs/dbraw/zinc/02/38/85/573023885.db2.gz JEXWYABWEQTDDE-SNVBAGLBSA-N 2 0 172.316 1.751 10 0 ADAERP CC[N@@H+]1CCC[C@H]1C[C@H]1NCCCO1 258473172 573024331 /nfs/dbraw/zinc/02/43/31/573024331.db2.gz KYZUTCYTGLPUBV-QWRGUYRKSA-N 2 0 198.310 1.197 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CC[C@@H]1CC[C@@H]2C[C@H]12 717056317 573023967 /nfs/dbraw/zinc/02/39/67/573023967.db2.gz DYGLZACZSSMMDE-WRWGMCAJSA-N 2 0 196.338 1.750 10 0 ADAERP CC[C@@](C)(C[NH3+])C[NH2+]CC1CC1 128479562 573024074 /nfs/dbraw/zinc/02/40/74/573024074.db2.gz KSNGUDDURDWAGE-JTQLQIEISA-N 2 0 170.300 1.361 10 0 ADAERP C[NH2+]CC[C@H]([NH2+]C)c1ccccc1 259312878 573024140 /nfs/dbraw/zinc/02/41/40/573024140.db2.gz IMDFDDDOZQIYBV-NSHDSACASA-N 2 0 178.279 1.557 10 0 ADAERP C[NH2+][C@H](c1sccc1C)[C@H](C)C[NH3+] 259596541 573024229 /nfs/dbraw/zinc/02/42/29/573024229.db2.gz WWDKAZOBGUSUAQ-BDAKNGLRSA-N 2 0 198.335 1.912 10 0 ADAERP CCC12CC3C[C@]([NH3+])(C1)C[C@@]([NH3+])(C3)C2 113685325 573024232 /nfs/dbraw/zinc/02/42/32/573024232.db2.gz FSTMUZJVSNZZNF-CAODYFQJSA-N 2 0 194.322 1.775 10 0 ADAERP CCCCC[NH2+]C[C@H](C)N1CCC1 308227311 573024285 /nfs/dbraw/zinc/02/42/85/573024285.db2.gz RIDBRUHBEPLAPQ-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CCCC[N@@H+]1CC[NH2+][C@@H](CC)CC1 49660888 573024374 /nfs/dbraw/zinc/02/43/74/573024374.db2.gz DTBDUJAEOGTHGX-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP C[N@@H+](Cc1ccco1)C[C@@H]1C[C@H]1C[NH3+] 715117016 573024508 /nfs/dbraw/zinc/02/45/08/573024508.db2.gz YPVQWLZEQCOCDH-UWVGGRQHSA-N 2 0 194.278 1.306 10 0 ADAERP C[NH2+]Cc1ccc(C[NH+]2CCC2)s1 308229146 573025323 /nfs/dbraw/zinc/02/53/23/573025323.db2.gz SERLPEYILNDXNG-UHFFFAOYSA-N 2 0 196.319 1.673 10 0 ADAERP C[N@@H+]1CCC[C@@]12C=CC[C@@H](C[NH3+])C2 113690434 573025337 /nfs/dbraw/zinc/02/53/37/573025337.db2.gz DTHWDYOOXMQZQK-GHMZBOCLSA-N 2 0 180.295 1.376 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CCCC[N@@H+]1CCF 308227811 573025350 /nfs/dbraw/zinc/02/53/50/573025350.db2.gz RMYWPHFVWISSSL-UWVGGRQHSA-N 2 0 188.290 1.548 10 0 ADAERP CCCCC[NH2+]C[C@@H](C)N1CCC1 308227308 573025424 /nfs/dbraw/zinc/02/54/24/573025424.db2.gz RIDBRUHBEPLAPQ-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH2+]C1CCCC1 128478393 573025448 /nfs/dbraw/zinc/02/54/48/573025448.db2.gz BUAVHAJVCAHRHD-LLVKDONJSA-N 2 0 184.327 1.894 10 0 ADAERP NC[C@]1(c2cccc(F)c2)CCC[NH2+]1 258228723 573025472 /nfs/dbraw/zinc/02/54/72/573025472.db2.gz PCGITCQQTPVVIP-NSHDSACASA-N 2 0 194.253 1.363 10 0 ADAERP C[NH2+]CC[C@@H]([NH2+]C)c1ccccc1 259312876 573025545 /nfs/dbraw/zinc/02/55/45/573025545.db2.gz IMDFDDDOZQIYBV-LLVKDONJSA-N 2 0 178.279 1.557 10 0 ADAERP C[N@@H+](Cc1ccco1)C[C@H]1C[C@@H]1C[NH3+] 715117013 573025686 /nfs/dbraw/zinc/02/56/86/573025686.db2.gz YPVQWLZEQCOCDH-NXEZZACHSA-N 2 0 194.278 1.306 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1C[C@@H]1NCCCO1 258473127 573025726 /nfs/dbraw/zinc/02/57/26/573025726.db2.gz KYZUTCYTGLPUBV-GHMZBOCLSA-N 2 0 198.310 1.197 10 0 ADAERP CCC[NH2+]C[C@](C)(CC)C[NH3+] 128474684 573026335 /nfs/dbraw/zinc/02/63/35/573026335.db2.gz BBHNWNGBELFOIA-SECBINFHSA-N 2 0 158.289 1.361 10 0 ADAERP COC[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 85438726 573026367 /nfs/dbraw/zinc/02/63/67/573026367.db2.gz XIFPBFQJYOBIFD-NSHDSACASA-N 2 0 198.310 1.054 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1C[C@H]1NCCCO1 258473149 573026523 /nfs/dbraw/zinc/02/65/23/573026523.db2.gz KYZUTCYTGLPUBV-MNOVXSKESA-N 2 0 198.310 1.197 10 0 ADAERP CC1CC[NH+](C[C@@H]([NH3+])CC2CC2)CC1 308477018 573026668 /nfs/dbraw/zinc/02/66/68/573026668.db2.gz LKJFSUPAQDTRBJ-LBPRGKRZSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH2+]CC1CC1 128479811 573026874 /nfs/dbraw/zinc/02/68/74/573026874.db2.gz KSNGUDDURDWAGE-SNVBAGLBSA-N 2 0 170.300 1.361 10 0 ADAERP C[NH2+][C@H](c1sccc1C)[C@@H](C)C[NH3+] 259596545 573027055 /nfs/dbraw/zinc/02/70/55/573027055.db2.gz WWDKAZOBGUSUAQ-IUCAKERBSA-N 2 0 198.335 1.912 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438494 573027008 /nfs/dbraw/zinc/02/70/08/573027008.db2.gz HRVMOHQIZIRLND-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H](c1sccc1C)[C@@H](C)C[NH3+] 259596543 573027019 /nfs/dbraw/zinc/02/70/19/573027019.db2.gz WWDKAZOBGUSUAQ-DTWKUNHWSA-N 2 0 198.335 1.912 10 0 ADAERP C[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 82401783 573027033 /nfs/dbraw/zinc/02/70/33/573027033.db2.gz HSTKGKJDRKGGLK-SNVBAGLBSA-N 2 0 168.284 1.080 10 0 ADAERP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438543 573027668 /nfs/dbraw/zinc/02/76/68/573027668.db2.gz FGDLRTHVXLDYSW-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH+](C)[C@H]1CC[C@H]([NH2+]CC2CC2)C1 308477342 573027743 /nfs/dbraw/zinc/02/77/43/573027743.db2.gz MEYVYLQYTXNZEP-QWRGUYRKSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 85438702 573027898 /nfs/dbraw/zinc/02/78/98/573027898.db2.gz QIGIIJCRAORMGH-GFCCVEGCSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[N@H+](CC1CC1)C[C@@H]1C[C@@H]1C[NH3+] 715119928 573027991 /nfs/dbraw/zinc/02/79/91/573027991.db2.gz NDLFENVPNZLUJG-NEPJUHHUSA-N 2 0 196.338 1.703 10 0 ADAERP CC(C)(C[NH3+])C[C@H]([NH3+])c1ccc[nH]1 259314266 573028078 /nfs/dbraw/zinc/02/80/78/573028078.db2.gz KPGQTGHHSIHYOW-QMMMGPOBSA-N 2 0 181.283 1.390 10 0 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WPWIRSJSRWKOLO-MWLCHTKSSA-N 2 0 184.327 1.750 10 0 ADAERP CCCNc1cc(C)[nH+]c(C)c1C[NH3+] 87974900 573031508 /nfs/dbraw/zinc/03/15/08/573031508.db2.gz QLPSPZSWXPJDAV-UHFFFAOYSA-N 2 0 193.294 1.979 10 0 ADAERP CCN(C)c1cc(C)[nH+]c(C)c1C[NH3+] 87974861 573031202 /nfs/dbraw/zinc/03/12/02/573031202.db2.gz LNYDTGPJDZOEFP-UHFFFAOYSA-N 2 0 193.294 1.613 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 715119919 573031251 /nfs/dbraw/zinc/03/12/51/573031251.db2.gz NCKJNFISVMXJJS-KZZRWZIVSA-N 2 0 194.322 1.217 10 0 ADAERP CCOCC[N@H+](C)[C@@H](CC)CC[NH3+] 87976296 573031759 /nfs/dbraw/zinc/03/17/59/573031759.db2.gz XCPPPVCZXAIAQI-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP C[NH+](C)CCC1([NH3+])CCCC1 82406189 573031740 /nfs/dbraw/zinc/03/17/40/573031740.db2.gz FHQSSIRCRGOMIE-UHFFFAOYSA-N 2 0 156.273 1.210 10 0 ADAERP C[C@H]1CCC[C@@H]1[N@@H+]1CCCNCC1 82424948 573031834 /nfs/dbraw/zinc/03/18/34/573031834.db2.gz UYNGXENKXVGHAM-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP 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1.516 10 0 ADAERP CC[N@@H+](CC1CCC1)C[C@@H]1C[C@@H]1C[NH3+] 715120592 573035800 /nfs/dbraw/zinc/03/58/00/573035800.db2.gz PBHSVSBQFVNVAZ-NEPJUHHUSA-N 2 0 196.338 1.703 10 0 ADAERP C[C@@H]([NH3+])c1cccc([C@H]2CC[NH2+]C2)c1 78835142 573035930 /nfs/dbraw/zinc/03/59/30/573035930.db2.gz CBGSKXLLAXHVCA-SKDRFNHKSA-N 2 0 190.290 1.783 10 0 ADAERP CCc1ccc(C)cc1[C@@H](N)C[NH3+] 104581568 573036100 /nfs/dbraw/zinc/03/61/00/573036100.db2.gz ZRVZKCPIHYZBJA-NSHDSACASA-N 2 0 178.279 1.516 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@]2(C)CC[NH2+]C2)C1 257926946 573036154 /nfs/dbraw/zinc/03/61/54/573036154.db2.gz SEXORUCEMQTEFQ-GHMZBOCLSA-N 2 0 182.311 1.328 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@]2(C)CC[NH2+]C2)C1 257926958 573036166 /nfs/dbraw/zinc/03/61/66/573036166.db2.gz SEXORUCEMQTEFQ-WDEREUQCSA-N 2 0 182.311 1.328 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)CC[NH3+] 259315974 573036456 /nfs/dbraw/zinc/03/64/56/573036456.db2.gz JNKMYYRNMRPORY-JTQLQIEISA-N 2 0 195.310 1.650 10 0 ADAERP C[C@H](C[NH3+])C[C@@H]([NH3+])c1cccs1 259316985 573036746 /nfs/dbraw/zinc/03/67/46/573036746.db2.gz KRCXNNBEROTVTI-JGVFFNPUSA-N 2 0 184.308 1.733 10 0 ADAERP CC[N@@H+](CC1CCC1)C[C@H]1C[C@@H]1C[NH3+] 715120631 573036977 /nfs/dbraw/zinc/03/69/77/573036977.db2.gz PBHSVSBQFVNVAZ-VXGBXAGGSA-N 2 0 196.338 1.703 10 0 ADAERP CCCC[N@H+](C[C@@H]1C[C@H]1C[NH3+])C1CC1 715120303 573037707 /nfs/dbraw/zinc/03/77/07/573037707.db2.gz OQFXVRYDBASICS-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C2([NH3+])CCC2)C1 257927251 573037755 /nfs/dbraw/zinc/03/77/55/573037755.db2.gz GUPQTHACNGEQCE-JTQLQIEISA-N 2 0 182.311 1.598 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@]2(C)CC[NH2+]C2)C1 257926954 573037936 /nfs/dbraw/zinc/03/79/36/573037936.db2.gz SEXORUCEMQTEFQ-QWRGUYRKSA-N 2 0 182.311 1.328 10 0 ADAERP C[C@H](C[NH3+])C[C@H]([NH3+])c1cccs1 259316993 573037964 /nfs/dbraw/zinc/03/79/64/573037964.db2.gz KRCXNNBEROTVTI-YUMQZZPRSA-N 2 0 184.308 1.733 10 0 ADAERP C[C@@H]([NH3+])CC[N@@H+]1CCS[C@H](C)C1 123487250 573038016 /nfs/dbraw/zinc/03/80/16/573038016.db2.gz TWVQYPTWNZCNGJ-RKDXNWHRSA-N 2 0 188.340 1.161 10 0 ADAERP CC[N@@H+](CC1CCC1)C[C@H]1C[C@H]1C[NH3+] 715120618 573038115 /nfs/dbraw/zinc/03/81/15/573038115.db2.gz PBHSVSBQFVNVAZ-NWDGAFQWSA-N 2 0 196.338 1.703 10 0 ADAERP C[C@@H](C[NH3+])C[C@@H]([NH3+])c1cccs1 259316980 573038204 /nfs/dbraw/zinc/03/82/04/573038204.db2.gz KRCXNNBEROTVTI-HTQZYQBOSA-N 2 0 184.308 1.733 10 0 ADAERP CC[N@H+](CCC[NH3+])CCCF 88024207 573038247 /nfs/dbraw/zinc/03/82/47/573038247.db2.gz QKILKFLNIOPSCY-UHFFFAOYSA-N 2 0 162.252 1.017 10 0 ADAERP CCCC[N@H+](C[C@H]1C[C@@H]1C[NH3+])C1CC1 715120297 573038359 /nfs/dbraw/zinc/03/83/59/573038359.db2.gz OQFXVRYDBASICS-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP CCC[C@@H](C[C@H](C)C[NH3+])[NH2+]C 259315941 573038450 /nfs/dbraw/zinc/03/84/50/573038450.db2.gz JMZVWSLWHKUPKA-IUCAKERBSA-N 2 0 158.289 1.359 10 0 ADAERP CC[N@@H+](CC1CCC1)C[C@@H]1C[C@H]1C[NH3+] 715120620 573038781 /nfs/dbraw/zinc/03/87/81/573038781.db2.gz PBHSVSBQFVNVAZ-RYUDHWBXSA-N 2 0 196.338 1.703 10 0 ADAERP CCC[C@H](C[C@@H](C)C[NH3+])[NH2+]C 259315942 573038802 /nfs/dbraw/zinc/03/88/02/573038802.db2.gz JMZVWSLWHKUPKA-RKDXNWHRSA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](C2([NH3+])CCC2)C1 257927252 573038941 /nfs/dbraw/zinc/03/89/41/573038941.db2.gz GUPQTHACNGEQCE-SNVBAGLBSA-N 2 0 182.311 1.598 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@]2(C)CC[NH2+]C2)C1 257926951 573039149 /nfs/dbraw/zinc/03/91/49/573039149.db2.gz SEXORUCEMQTEFQ-MNOVXSKESA-N 2 0 182.311 1.328 10 0 ADAERP CC[P@H+](C)C1=CC[NH2+]CC1 238261922 573050842 /nfs/dbraw/zinc/05/08/42/573050842.db2.gz MQQVBSGQUYKNCH-UHFFFAOYSA-N 2 0 157.197 1.995 10 0 ADAERP CC(C)C[C@H]([NH3+])[C@H]1CCC[NH2+]1 259317346 573039476 /nfs/dbraw/zinc/03/94/76/573039476.db2.gz KTBTZDGHDPLCBS-DTWKUNHWSA-N 2 0 156.273 1.112 10 0 ADAERP C[NH2+][C@H](c1cc[nH]c1)C(C)(C)CC[NH3+] 259315975 573039701 /nfs/dbraw/zinc/03/97/01/573039701.db2.gz JNKMYYRNMRPORY-SNVBAGLBSA-N 2 0 195.310 1.650 10 0 ADAERP CCC[C@H](C[C@H](C)C[NH3+])[NH2+]C 259315939 573039707 /nfs/dbraw/zinc/03/97/07/573039707.db2.gz JMZVWSLWHKUPKA-DTWKUNHWSA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)(C)CC1=[NH+][C@@H]2CC[NH2+]C[C@@H]2N1 257934413 573040412 /nfs/dbraw/zinc/04/04/12/573040412.db2.gz KGHNVOHMNRXVFS-BDAKNGLRSA-N 2 0 195.310 1.155 10 0 ADAERP CO[C@H](C)C[N@H+](C)CCC(C)(C)[NH3+] 308237569 573040485 /nfs/dbraw/zinc/04/04/85/573040485.db2.gz WSKVVPODOHAEMN-SECBINFHSA-N 2 0 188.315 1.081 10 0 ADAERP CC(C)(C)CC1=[NH+][C@H]2CC[NH2+]C[C@H]2N1 257934415 573040584 /nfs/dbraw/zinc/04/05/84/573040584.db2.gz KGHNVOHMNRXVFS-DTWKUNHWSA-N 2 0 195.310 1.155 10 0 ADAERP CC(C)(C)CC1=[NH+][C@@H]2CC[NH2+]C[C@H]2N1 257934419 573040598 /nfs/dbraw/zinc/04/05/98/573040598.db2.gz KGHNVOHMNRXVFS-RKDXNWHRSA-N 2 0 195.310 1.155 10 0 ADAERP C[NH2+]Cc1coc2c(C[NH3+])cccc12 257934178 573041546 /nfs/dbraw/zinc/04/15/46/573041546.db2.gz FJSMZSRACZQSIE-UHFFFAOYSA-N 2 0 190.246 1.611 10 0 ADAERP C[NH2+][C@@H](CC(C)C)[C@@H]1CC[NH2+]C1 259318606 573041723 /nfs/dbraw/zinc/04/17/23/573041723.db2.gz JPHUPQWYJJYHGP-ZJUUUORDSA-N 2 0 170.300 1.230 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]1C1CC1 717082831 573041750 /nfs/dbraw/zinc/04/17/50/573041750.db2.gz XXOLAUICHVIBSM-MIMYLULJSA-N 2 0 182.311 1.359 10 0 ADAERP CC(C)N(CC[NH3+])CCCF 88024239 573040994 /nfs/dbraw/zinc/04/09/94/573040994.db2.gz ZOPFTLOYFZRJRP-UHFFFAOYSA-N 2 0 162.252 1.015 10 0 ADAERP C[NH+](C)CCCCCCCC[NH3+] 113891016 573041023 /nfs/dbraw/zinc/04/10/23/573041023.db2.gz KJHGVXJHOBEHIH-UHFFFAOYSA-N 2 0 172.316 1.847 10 0 ADAERP C[NH+](C)CC1(C2CC[NH2+]CC2)CC1 257933440 573041051 /nfs/dbraw/zinc/04/10/51/573041051.db2.gz TYUXYZHELSJGAK-UHFFFAOYSA-N 2 0 182.311 1.328 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH2+][C@H]1CC1(C)C 128492380 573041103 /nfs/dbraw/zinc/04/11/03/573041103.db2.gz WPWIRSJSRWKOLO-GXSJLCMTSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)(C)CC1=[NH+][C@H]2CC[NH2+]C[C@@H]2N1 257934417 573041308 /nfs/dbraw/zinc/04/13/08/573041308.db2.gz KGHNVOHMNRXVFS-IUCAKERBSA-N 2 0 195.310 1.155 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+][C@@H]1C[C@@H]1[C@H]1C[C@H]1C 717075500 573041402 /nfs/dbraw/zinc/04/14/02/573041402.db2.gz DJBOYUJFMBICCS-ROHXPCBUSA-N 2 0 196.338 1.748 10 0 ADAERP CC1=NCC[NH2+]C(C)(C)C1 104584290 573041567 /nfs/dbraw/zinc/04/15/67/573041567.db2.gz RGJJZLYGQGTTAZ-UHFFFAOYSA-N 2 0 140.230 1.219 10 0 ADAERP C[N@@H+]1CCC[C@H]1C1([NH3+])CCCC1 257934249 573041593 /nfs/dbraw/zinc/04/15/93/573041593.db2.gz HKSPTWILYIATKY-VIFPVBQESA-N 2 0 168.284 1.352 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1cccc(Cl)c1 113971634 573041672 /nfs/dbraw/zinc/04/16/72/573041672.db2.gz KWPBUBUIZCVWJH-SECBINFHSA-N 2 0 184.670 1.689 10 0 ADAERP CCC[C@@H]([NH3+])CC[N@@H+]1CC[C@H](C)C1 128583374 573042464 /nfs/dbraw/zinc/04/24/64/573042464.db2.gz BJSHRUJLCGDYNW-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCF 88026326 573042504 /nfs/dbraw/zinc/04/25/04/573042504.db2.gz NHTGBMFWANENAA-PBINXNQUSA-N 2 0 186.274 1.300 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+][C@H](C)CC 128577000 573042550 /nfs/dbraw/zinc/04/25/50/573042550.db2.gz BQSSPCKXTFJUJV-NXEZZACHSA-N 2 0 172.316 1.892 10 0 ADAERP C[C@@H]1C[N@H+](CCCF)CCC[NH2+]1 88027509 573042695 /nfs/dbraw/zinc/04/26/95/573042695.db2.gz OISKSLALWAIUKM-SECBINFHSA-N 2 0 174.263 1.030 10 0 ADAERP CC(C)C[C@H]([NH3+])CC(C)(C)C[NH3+] 259319626 573042758 /nfs/dbraw/zinc/04/27/58/573042758.db2.gz KTPCIOPEOIFUNB-VIFPVBQESA-N 2 0 172.316 1.735 10 0 ADAERP CCC[NH2+]CC[C@@H]([NH3+])CCC 128574583 573042924 /nfs/dbraw/zinc/04/29/24/573042924.db2.gz FLRHUSTVYLODOK-VIFPVBQESA-N 2 0 158.289 1.504 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+]C(C)(C)C 128575029 573043014 /nfs/dbraw/zinc/04/30/14/573043014.db2.gz IRZYVHYFDPCSOE-VIFPVBQESA-N 2 0 172.316 1.892 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+]C1CC1 128577222 573043049 /nfs/dbraw/zinc/04/30/49/573043049.db2.gz PDFKGMDMBJXKED-QMMMGPOBSA-N 2 0 156.273 1.256 10 0 ADAERP CC(C)C[C@@H]([NH3+])CC(C)(C)C[NH3+] 259319623 573043093 /nfs/dbraw/zinc/04/30/93/573043093.db2.gz KTPCIOPEOIFUNB-SECBINFHSA-N 2 0 172.316 1.735 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]CC1([NH3+])CCC1 233305903 573043107 /nfs/dbraw/zinc/04/31/07/573043107.db2.gz HEFANMPETROBCB-NXEZZACHSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@H]1C[N@H+](CCCF)CCC[NH2+]1 88027510 573044728 /nfs/dbraw/zinc/04/47/28/573044728.db2.gz OISKSLALWAIUKM-VIFPVBQESA-N 2 0 174.263 1.030 10 0 ADAERP C[C@@H]([NH3+])[C@H](C)C[N@@H+]1CCC1(C)C 642826617 573043231 /nfs/dbraw/zinc/04/32/31/573043231.db2.gz LFQSPKZKQMEGGB-RKDXNWHRSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]1C[N@H+](CCCF)[C@@H](C)CC[NH2+]1 88027540 573043240 /nfs/dbraw/zinc/04/32/40/573043240.db2.gz ZQEQIXFDAVUTSE-UWVGGRQHSA-N 2 0 188.290 1.418 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+]C1CC1 128577423 573043248 /nfs/dbraw/zinc/04/32/48/573043248.db2.gz PDFKGMDMBJXKED-MRVPVSSYSA-N 2 0 156.273 1.256 10 0 ADAERP CCC[C@H]([NH3+])CC[N@@H+]1CC[C@H](C)C1 128583152 573043272 /nfs/dbraw/zinc/04/32/72/573043272.db2.gz BJSHRUJLCGDYNW-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+][C@@H](C)CC 128576379 573043379 /nfs/dbraw/zinc/04/33/79/573043379.db2.gz BQSSPCKXTFJUJV-UWVGGRQHSA-N 2 0 172.316 1.892 10 0 ADAERP C[C@@H]1C[N@H+](CCCF)[C@H](C)CC[NH2+]1 88027537 573043383 /nfs/dbraw/zinc/04/33/83/573043383.db2.gz ZQEQIXFDAVUTSE-NXEZZACHSA-N 2 0 188.290 1.418 10 0 ADAERP C[N@@H+]1CCC[C@@H]1C1([NH3+])CCCC1 257934246 573043445 /nfs/dbraw/zinc/04/34/45/573043445.db2.gz HKSPTWILYIATKY-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+]CC(C)C 128577640 573043487 /nfs/dbraw/zinc/04/34/87/573043487.db2.gz ZVBZRJPGURGCFK-JTQLQIEISA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+]CC1CC1 128579530 573043551 /nfs/dbraw/zinc/04/35/51/573043551.db2.gz IMXLGZILQKINDL-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP C[NH2+]C[C@@H](C)CCCC[NH2+]C1CC1 85492966 573043841 /nfs/dbraw/zinc/04/38/41/573043841.db2.gz XUSDKNBXCXTRSM-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@H](C[NH3+])CCC[NH2+]C1CC1 85492909 573044753 /nfs/dbraw/zinc/04/47/53/573044753.db2.gz XOCWHXCCYUYPBP-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CC1(C)CCC[N@H+](C[C@@H]2C[C@H]2C[NH3+])C1 715118619 573044070 /nfs/dbraw/zinc/04/40/70/573044070.db2.gz GGWZTQMRHKALPD-QWRGUYRKSA-N 2 0 196.338 1.703 10 0 ADAERP CCCC[NH2+]CC[C@@H]([NH3+])CCC 128580620 573044126 /nfs/dbraw/zinc/04/41/26/573044126.db2.gz DICZGCQXNBGVQE-JTQLQIEISA-N 2 0 172.316 1.894 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H]1C1CC1 717082824 573044202 /nfs/dbraw/zinc/04/42/02/573044202.db2.gz XXOLAUICHVIBSM-FBIMIBRVSA-N 2 0 182.311 1.359 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+]C(C)C 128575469 573044212 /nfs/dbraw/zinc/04/42/12/573044212.db2.gz QWCOVZRHTDNLCO-VIFPVBQESA-N 2 0 158.289 1.502 10 0 ADAERP CC[C@@H](C[NH3+])CCCC[NH3+] 104590601 573044368 /nfs/dbraw/zinc/04/43/68/573044368.db2.gz BDVFBLBNLVKMSH-MRVPVSSYSA-N 2 0 144.262 1.100 10 0 ADAERP CC[C@H](C[NH3+])CCCC[NH3+] 104590598 573044373 /nfs/dbraw/zinc/04/43/73/573044373.db2.gz BDVFBLBNLVKMSH-QMMMGPOBSA-N 2 0 144.262 1.100 10 0 ADAERP CC1(C)CCC[N@H+](C[C@H]2C[C@H]2C[NH3+])C1 715118620 573044641 /nfs/dbraw/zinc/04/46/41/573044641.db2.gz GGWZTQMRHKALPD-WDEREUQCSA-N 2 0 196.338 1.703 10 0 ADAERP CC1(C)CCC[N@H+](C[C@@H]2C[C@@H]2C[NH3+])C1 715118618 573044690 /nfs/dbraw/zinc/04/46/90/573044690.db2.gz GGWZTQMRHKALPD-MNOVXSKESA-N 2 0 196.338 1.703 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1cccc(Cl)c1 113971637 573044837 /nfs/dbraw/zinc/04/48/37/573044837.db2.gz KWPBUBUIZCVWJH-VIFPVBQESA-N 2 0 184.670 1.689 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H]1C1CC1 717082827 573044851 /nfs/dbraw/zinc/04/48/51/573044851.db2.gz XXOLAUICHVIBSM-IEBDPFPHSA-N 2 0 182.311 1.359 10 0 ADAERP C[NH2+][C@@H](CC(C)C)[C@H]1CC[NH2+]C1 259318602 573044951 /nfs/dbraw/zinc/04/49/51/573044951.db2.gz JPHUPQWYJJYHGP-UWVGGRQHSA-N 2 0 170.300 1.230 10 0 ADAERP CCCC[NH2+]CC[C@H]([NH3+])CCC 128580417 573045000 /nfs/dbraw/zinc/04/50/00/573045000.db2.gz DICZGCQXNBGVQE-SNVBAGLBSA-N 2 0 172.316 1.894 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@H]1CC[NH2+]C1 259318604 573044971 /nfs/dbraw/zinc/04/49/71/573044971.db2.gz JPHUPQWYJJYHGP-VHSXEESVSA-N 2 0 170.300 1.230 10 0 ADAERP C[C@H]1C[N@H+](CCCF)[C@H](C)CC[NH2+]1 88027539 573045001 /nfs/dbraw/zinc/04/50/01/573045001.db2.gz ZQEQIXFDAVUTSE-VHSXEESVSA-N 2 0 188.290 1.418 10 0 ADAERP CC[NH2+]CCCCCC[NH2+]C1CC1 85492843 573045095 /nfs/dbraw/zinc/04/50/95/573045095.db2.gz HRJNWAZARBJKAZ-UHFFFAOYSA-N 2 0 184.327 1.908 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+]CC(C)C 128577909 573045136 /nfs/dbraw/zinc/04/51/36/573045136.db2.gz ZVBZRJPGURGCFK-SNVBAGLBSA-N 2 0 172.316 1.750 10 0 ADAERP C[C@H]1CC[NH2+]CC[N@@H+]1CCCF 88027546 573045241 /nfs/dbraw/zinc/04/52/41/573045241.db2.gz LLIMIXHPOAEGGM-VIFPVBQESA-N 2 0 174.263 1.030 10 0 ADAERP C[NH2+][C@H](C)c1cnc([C@H]2CC[NH2+]C2)o1 257935202 573045441 /nfs/dbraw/zinc/04/54/41/573045441.db2.gz FCVWLPVIUPYGJH-SFYZADRCSA-N 2 0 195.266 1.032 10 0 ADAERP CC[C@@](C)(C[NH3+])CCC[NH3+] 104589566 573045629 /nfs/dbraw/zinc/04/56/29/573045629.db2.gz PCDXTISDWSXSII-MRVPVSSYSA-N 2 0 144.262 1.100 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+]C(C)(C)C 128575247 573045727 /nfs/dbraw/zinc/04/57/27/573045727.db2.gz IRZYVHYFDPCSOE-SECBINFHSA-N 2 0 172.316 1.892 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+]C(C)C 128575688 573045838 /nfs/dbraw/zinc/04/58/38/573045838.db2.gz QWCOVZRHTDNLCO-SECBINFHSA-N 2 0 158.289 1.502 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@@H]1CC[NH2+]C1 259318600 573045993 /nfs/dbraw/zinc/04/59/93/573045993.db2.gz JPHUPQWYJJYHGP-NXEZZACHSA-N 2 0 170.300 1.230 10 0 ADAERP C[C@@H]1CC[NH2+]CC[N@@H+]1CCCF 88027545 573046145 /nfs/dbraw/zinc/04/61/45/573046145.db2.gz LLIMIXHPOAEGGM-SECBINFHSA-N 2 0 174.263 1.030 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+][C@@H](C)CC 128576600 573046337 /nfs/dbraw/zinc/04/63/37/573046337.db2.gz BQSSPCKXTFJUJV-VHSXEESVSA-N 2 0 172.316 1.892 10 0 ADAERP CC(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CC1 686252249 573046365 /nfs/dbraw/zinc/04/63/65/573046365.db2.gz SBKZZHRGLBLHET-CABZTGNLSA-N 2 0 196.338 1.619 10 0 ADAERP [NH3+]CC1=CC[N@H+](Cc2ccccc2)C1 257932601 573046442 /nfs/dbraw/zinc/04/64/42/573046442.db2.gz CXCAWYXGDRECFP-UHFFFAOYSA-N 2 0 188.274 1.387 10 0 ADAERP CC1=[NH+]CCC[C@@]1(C)CC[NH3+] 238258670 573046490 /nfs/dbraw/zinc/04/64/90/573046490.db2.gz QZGRXACSGULASU-VIFPVBQESA-N 2 0 154.257 1.596 10 0 ADAERP CC1(C)C[N@H+](CCCF)CCC[NH2+]1 88027514 573046726 /nfs/dbraw/zinc/04/67/26/573046726.db2.gz SQAZZOQYLFWEMC-UHFFFAOYSA-N 2 0 188.290 1.420 10 0 ADAERP C[C@H](C[NH3+])c1cnc([C@H]2CCC[NH2+]2)o1 257935072 573046762 /nfs/dbraw/zinc/04/67/62/573046762.db2.gz FCHPPDVUGKPLSV-HTQZYQBOSA-N 2 0 195.266 1.161 10 0 ADAERP CC(C)CN1CC2CC(C2)[C@@H]1C[NH3+] 257934679 573046868 /nfs/dbraw/zinc/04/68/68/573046868.db2.gz UDYBFDHDHXERNK-ILDUYXDCSA-N 2 0 182.311 1.312 10 0 ADAERP C[NH2+]C[C@H]1CC[N@@H+](C2CC(C)C2)C1 123514975 573046894 /nfs/dbraw/zinc/04/68/94/573046894.db2.gz WDZLHNXWDMMWCL-HSOILSAZSA-N 2 0 182.311 1.326 10 0 ADAERP CC1(C)CCC[N@H+](C[C@H]2C[C@@H]2C[NH3+])C1 715118617 573047211 /nfs/dbraw/zinc/04/72/11/573047211.db2.gz GGWZTQMRHKALPD-GHMZBOCLSA-N 2 0 196.338 1.703 10 0 ADAERP C[C@H](C[NH3+])c1cnc([C@@H]2CCC[NH2+]2)o1 257935079 573047789 /nfs/dbraw/zinc/04/77/89/573047789.db2.gz FCHPPDVUGKPLSV-SFYZADRCSA-N 2 0 195.266 1.161 10 0 ADAERP C[C@@H](C[NH3+])c1cnc([C@H]2CCC[NH2+]2)o1 257935076 573047645 /nfs/dbraw/zinc/04/76/45/573047645.db2.gz FCHPPDVUGKPLSV-JGVFFNPUSA-N 2 0 195.266 1.161 10 0 ADAERP CC(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C1CC1 686252248 573047677 /nfs/dbraw/zinc/04/76/77/573047677.db2.gz SBKZZHRGLBLHET-BXKDBHETSA-N 2 0 196.338 1.619 10 0 ADAERP CC1=[NH+]CCC[C@]1(C)CC[NH3+] 238258706 573047841 /nfs/dbraw/zinc/04/78/41/573047841.db2.gz QZGRXACSGULASU-SECBINFHSA-N 2 0 154.257 1.596 10 0 ADAERP CC[C@](C)(C[NH3+])CCC[NH3+] 104589560 573047863 /nfs/dbraw/zinc/04/78/63/573047863.db2.gz PCDXTISDWSXSII-QMMMGPOBSA-N 2 0 144.262 1.100 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+][C@H](C)CC 128576812 573047977 /nfs/dbraw/zinc/04/79/77/573047977.db2.gz BQSSPCKXTFJUJV-ZJUUUORDSA-N 2 0 172.316 1.892 10 0 ADAERP CC(C)CN1CC2CC(C2)[C@H]1C[NH3+] 257934682 573048444 /nfs/dbraw/zinc/04/84/44/573048444.db2.gz UDYBFDHDHXERNK-VQXHTEKXSA-N 2 0 182.311 1.312 10 0 ADAERP C[NH2+][C@@H](C)c1cnc([C@@H]2CC[NH2+]C2)o1 257935198 573048489 /nfs/dbraw/zinc/04/84/89/573048489.db2.gz FCVWLPVIUPYGJH-JGVFFNPUSA-N 2 0 195.266 1.032 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]CCCC[NH2+]C 233306062 573048668 /nfs/dbraw/zinc/04/86/68/573048668.db2.gz JXGJEAJWEZPJBV-GHMZBOCLSA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+][C@H](C)c1cnc([C@@H]2CC[NH2+]C2)o1 257935194 573048675 /nfs/dbraw/zinc/04/86/75/573048675.db2.gz FCVWLPVIUPYGJH-HTQZYQBOSA-N 2 0 195.266 1.032 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@@](C)(CC)C[NH3+] 128496973 573048968 /nfs/dbraw/zinc/04/89/68/573048968.db2.gz NWUMMKLQPFRBNT-MNOVXSKESA-N 2 0 186.343 1.997 10 0 ADAERP C[NH2+][C@@H](C)c1cnc([C@H]2CC[NH2+]C2)o1 257935205 573048969 /nfs/dbraw/zinc/04/89/69/573048969.db2.gz FCVWLPVIUPYGJH-YUMQZZPRSA-N 2 0 195.266 1.032 10 0 ADAERP C[NH2+][C@@H](CC[C@@H](C)[NH3+])C(C)C 259599002 573049015 /nfs/dbraw/zinc/04/90/15/573049015.db2.gz YARMKQPAVFJEQY-BDAKNGLRSA-N 2 0 158.289 1.358 10 0 ADAERP C[C@H]1C[C@@H]1[C@H]1C[C@H]1[NH2+]C[C@H](C)CC[NH3+] 717078544 573049023 /nfs/dbraw/zinc/04/90/23/573049023.db2.gz NIHWOPQQHNYVPY-YBXAARCKSA-N 2 0 196.338 1.605 10 0 ADAERP CC(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CC1 686252253 573049310 /nfs/dbraw/zinc/04/93/10/573049310.db2.gz SBKZZHRGLBLHET-JOYOIKCWSA-N 2 0 196.338 1.619 10 0 ADAERP CN[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 717078493 573049754 /nfs/dbraw/zinc/04/97/54/573049754.db2.gz NDCTUMALPAFCLZ-ZIQFBCGOSA-N 2 0 196.338 1.476 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@](C)(CC)C[NH3+] 128497614 573049616 /nfs/dbraw/zinc/04/96/16/573049616.db2.gz NWUMMKLQPFRBNT-WDEREUQCSA-N 2 0 186.343 1.997 10 0 ADAERP CC(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C1CC1 686252254 573049702 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573050739 /nfs/dbraw/zinc/05/07/39/573050739.db2.gz YBUQWEOKMSQHCT-DVVUODLYSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 40717051 573050811 /nfs/dbraw/zinc/05/08/11/573050811.db2.gz BLHVYDMAKAKBMB-HBNTYKKESA-N 2 0 182.311 1.456 10 0 ADAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C[C@@H]1C 49708979 573050819 /nfs/dbraw/zinc/05/08/19/573050819.db2.gz QKLALEQHONKPKL-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+][C@@H](C[C@H]1CCCC[NH2+]1)c1cc[nH]c1 259319952 573051148 /nfs/dbraw/zinc/05/11/48/573051148.db2.gz KVIHHTOMDSYTHB-MNOVXSKESA-N 2 0 193.294 1.547 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+][C@@H]1C[C@@H]1C1CC1 717083408 573051194 /nfs/dbraw/zinc/05/11/94/573051194.db2.gz YBUQWEOKMSQHCT-FBIMIBRVSA-N 2 0 182.311 1.359 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+][C@H]1C[C@H]1C1CC1 717083547 573052042 /nfs/dbraw/zinc/05/20/42/573052042.db2.gz ZDVLZKHYLGBUMR-LSJOCFKGSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1CC1([NH3+])CC1 257937542 573052102 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HOTKCUVYBFAEGA-JTQLQIEISA-N 2 0 182.311 1.741 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CCCC[NH2+]1)c1cc[nH]c1 259319955 573053256 /nfs/dbraw/zinc/05/32/56/573053256.db2.gz KVIHHTOMDSYTHB-QWRGUYRKSA-N 2 0 193.294 1.547 10 0 ADAERP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C2CC2)CC1 82474629 573053738 /nfs/dbraw/zinc/05/37/38/573053738.db2.gz JAFOCRALTGGVSR-NXEZZACHSA-N 2 0 196.338 1.844 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH2+]CCC1CC1 128509035 573053772 /nfs/dbraw/zinc/05/37/72/573053772.db2.gz LNPBTMBXVRPSQM-LLVKDONJSA-N 2 0 184.327 1.751 10 0 ADAERP C[C@H]1C[C@H]1[C@H]1C[C@H]1[NH2+]C[C@H](C)CC[NH3+] 717078536 573053797 /nfs/dbraw/zinc/05/37/97/573053797.db2.gz NIHWOPQQHNYVPY-IYKVGLELSA-N 2 0 196.338 1.605 10 0 ADAERP [NH3+]Cc1csc2c(C[NH3+])cccc12 257936622 573053844 /nfs/dbraw/zinc/05/38/44/573053844.db2.gz FNNWUNLMRRBYPD-UHFFFAOYSA-N 2 0 192.287 1.819 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1CCC1([NH3+])CC1 257937740 573053948 /nfs/dbraw/zinc/05/39/48/573053948.db2.gz HRKGOYAPIXKSNY-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP [NH3+]CCCc1ccc2c(c1)C[NH2+]CC2 257937177 573053966 /nfs/dbraw/zinc/05/39/66/573053966.db2.gz BMAZKZAYZXQIBG-UHFFFAOYSA-N 2 0 190.290 1.224 10 0 ADAERP C[NH+](C)C[C@H]1CC[C@H]([NH3+])CC1 114037873 573053980 /nfs/dbraw/zinc/05/39/80/573053980.db2.gz JDYWFZJIINVRGG-DTORHVGOSA-N 2 0 156.273 1.066 10 0 ADAERP [NH3+][C@H]1CCCC[C@@H]1CC[NH2+]CCF 308249337 573054012 /nfs/dbraw/zinc/05/40/12/573054012.db2.gz DNNHHONRKBPTLQ-ZJUUUORDSA-N 2 0 188.290 1.453 10 0 ADAERP C[C@H]([NH3+])C1CC[NH+](C2CCCC2)CC1 82474658 573054095 /nfs/dbraw/zinc/05/40/95/573054095.db2.gz KZUDIXCXRCKJCF-JTQLQIEISA-N 2 0 196.338 1.988 10 0 ADAERP CC[N@@H+]1CCC[C@H]1CCC1([NH3+])CC1 257937737 573054110 /nfs/dbraw/zinc/05/41/10/573054110.db2.gz HRKGOYAPIXKSNY-JTQLQIEISA-N 2 0 182.311 1.742 10 0 ADAERP C[C@H]1C[NH+](CC2(N)CCC2)C[C@@H]1C 88052300 573054287 /nfs/dbraw/zinc/05/42/87/573054287.db2.gz KMHVBXSBJOQULJ-UWVGGRQHSA-N 2 0 182.311 1.456 10 0 ADAERP CC[N@H+]1CC=C(CCCC[NH3+])CC1 257937751 573054314 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196.338 1.718 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CC1([NH3+])CCC1 88051812 573056179 /nfs/dbraw/zinc/05/61/79/573056179.db2.gz QTKXRDOGWRQCFQ-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP C[C@H]([NH3+])[C@H](C)C[NH2+][C@H]1C[C@H]1C1CC1 717081065 573056353 /nfs/dbraw/zinc/05/63/53/573056353.db2.gz SRPLGPXFPXMDJI-IFFSRLJSSA-N 2 0 182.311 1.358 10 0 ADAERP C[C@@H]([NH3+])C1CC[NH+](C2CCCC2)CC1 82474659 573056763 /nfs/dbraw/zinc/05/67/63/573056763.db2.gz KZUDIXCXRCKJCF-SNVBAGLBSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC[N@H+](CC2([NH3+])CCC2)C1 88051869 573056816 /nfs/dbraw/zinc/05/68/16/573056816.db2.gz BEGJLNNPGUDQGV-SECBINFHSA-N 2 0 168.284 1.210 10 0 ADAERP CC[NH+](CC)CC1([NH3+])CCC1 88051622 573057009 /nfs/dbraw/zinc/05/70/09/573057009.db2.gz SFSMXQZTJPKLLI-UHFFFAOYSA-N 2 0 156.273 1.210 10 0 ADAERP C[N@@H+]1CCC[C@]2(CC[NH2+][C@@H]2CF)C1 257938697 573057015 /nfs/dbraw/zinc/05/70/15/573057015.db2.gz URBRSXHOMNDPNQ-ZJUUUORDSA-N 2 0 186.274 1.030 10 0 ADAERP C[C@H]1CC[N@H+](CC2([NH3+])CCC2)C1 88051870 573057033 /nfs/dbraw/zinc/05/70/33/573057033.db2.gz BEGJLNNPGUDQGV-VIFPVBQESA-N 2 0 168.284 1.210 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[NH3+])C1(C)C 259320749 573057292 /nfs/dbraw/zinc/05/72/92/573057292.db2.gz IKHYQGSYBNJOPY-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H](C1CC1)[NH+]1CCC([C@@H](C)[NH3+])CC1 82474627 573057562 /nfs/dbraw/zinc/05/75/62/573057562.db2.gz JAFOCRALTGGVSR-ZJUUUORDSA-N 2 0 196.338 1.844 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC1([NH3+])CCC1 88052054 573058523 /nfs/dbraw/zinc/05/85/23/573058523.db2.gz QSLPQJRPGQOEHM-MRVPVSSYSA-N 2 0 168.284 1.256 10 0 ADAERP C[N@@H+]1CCC[C@@]2(CC[NH2+][C@@H]2CF)C1 257938693 573058581 /nfs/dbraw/zinc/05/85/81/573058581.db2.gz URBRSXHOMNDPNQ-NXEZZACHSA-N 2 0 186.274 1.030 10 0 ADAERP C[C@H]([NH3+])C/C=C\CCC[NH3+] 104600812 573058655 /nfs/dbraw/zinc/05/86/55/573058655.db2.gz KFYNSFDIKISAAS-LTMVXPGCSA-N 2 0 142.246 1.019 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC1([NH3+])CCC1 88052053 573059180 /nfs/dbraw/zinc/05/91/80/573059180.db2.gz 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308492686 573062424 /nfs/dbraw/zinc/06/24/24/573062424.db2.gz ALBWJQYXSYCVPY-NSHDSACASA-N 2 0 196.338 1.718 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@H](C)C[NH3+] 259320861 573062432 /nfs/dbraw/zinc/06/24/32/573062432.db2.gz IRRHNCHYXWEZDT-RKDXNWHRSA-N 2 0 158.289 1.215 10 0 ADAERP C1C[NH2+][C@H](CC[NH2+][C@H]2C[C@@H]2C2CC2)C1 717091285 573062482 /nfs/dbraw/zinc/06/24/82/573062482.db2.gz KJLKKCILJOOKSY-TUAOUCFPSA-N 2 0 194.322 1.517 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C[C@@H]([NH3+])CC1CC1 308492616 573062809 /nfs/dbraw/zinc/06/28/09/573062809.db2.gz RNSWXYIGRMELNE-PWSUYJOCSA-N 2 0 198.354 1.996 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@@H](C)C[NH3+] 259320855 573063759 /nfs/dbraw/zinc/06/37/59/573063759.db2.gz IRRHNCHYXWEZDT-DTWKUNHWSA-N 2 0 158.289 1.215 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH3+])C1(C)C 259320754 573063995 /nfs/dbraw/zinc/06/39/95/573063995.db2.gz IKHYQGSYBNJOPY-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP C1C[NH2+][C@H](CC[NH2+][C@H]2C[C@H]2C2CC2)C1 717091279 573064288 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DQAZJTYOHXOLIH-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)CC1 82489388 573070429 /nfs/dbraw/zinc/07/04/29/573070429.db2.gz QRMOIOGZXWHOHK-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+]CCC[N@@H+]1C[C@H]2CC[C@@H]1C2 49716588 573070458 /nfs/dbraw/zinc/07/04/58/573070458.db2.gz AZYOVTVOXYWTKK-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CCC[C@H]([NH3+])CC[N@H+](C)C1CC1 128552061 573070518 /nfs/dbraw/zinc/07/05/18/573070518.db2.gz YFQSSWJUIZRKDA-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@@H]([NH3+])CC[N@H+](C)C1CC1 128552298 573070584 /nfs/dbraw/zinc/07/05/84/573070584.db2.gz YFQSSWJUIZRKDA-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP [NH3+][C@H](CC[NH2+][C@H]1C[C@@H]1C1CC1)C1CC1 717094134 573070917 /nfs/dbraw/zinc/07/09/17/573070917.db2.gz RGUOTCDUCXYNNW-UTUOFQBUSA-N 2 0 194.322 1.502 10 0 ADAERP CC[C@H](C[C@@H]1CCCC[NH2+]1)[NH+](C)C 259321567 573071280 /nfs/dbraw/zinc/07/12/80/573071280.db2.gz DQAZJTYOHXOLIH-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC[C@H](C[C@H]1CCCC[NH2+]1)[NH+](C)C 259321558 573071293 /nfs/dbraw/zinc/07/12/93/573071293.db2.gz DQAZJTYOHXOLIH-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP c1cc(NCC[C@H]2CC[NH2+]C2)cc[nH+]1 82487613 573071501 /nfs/dbraw/zinc/07/15/01/573071501.db2.gz FKWNNYDFECHRSA-SNVBAGLBSA-N 2 0 191.278 1.493 10 0 ADAERP C[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H](C)CC1 82488895 573071843 /nfs/dbraw/zinc/07/18/43/573071843.db2.gz XDWCNLOZJNSWKY-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP CCNC1=[NH+]C/C(=C\C[NH+](C)C)S1 238267601 573072460 /nfs/dbraw/zinc/07/24/60/573072460.db2.gz BAHAWVRMGQXXIK-VMPITWQZSA-N 2 0 199.323 1.144 10 0 ADAERP CCC[C@@H]([NH3+])CC[N@@H+]1CCC[C@@H]1C 128571769 573072472 /nfs/dbraw/zinc/07/24/72/573072472.db2.gz KUVCMLYKGGSTTN-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]1CCC[N@@H+](C[C@@H](C)C(N)=[NH2+])CC1 82489516 573072505 /nfs/dbraw/zinc/07/25/05/573072505.db2.gz LJPVYRZCQLRCAY-VHSXEESVSA-N 2 0 197.326 1.680 10 0 ADAERP CC(C)(C)[C@H]([NH3+])C[C@H]1CC[NH2+]C1 259322817 573072954 /nfs/dbraw/zinc/07/29/54/573072954.db2.gz KXBXEWOKIDVTIQ-RKDXNWHRSA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]C1CCC([C@H]([NH3+])C2CCC2)CC1 259322745 573073159 /nfs/dbraw/zinc/07/31/59/573073159.db2.gz KWQMFLPQNXETKM-VQXHTEKXSA-N 2 0 182.311 1.631 10 0 ADAERP C[C@@H]1CCC[N@H+](CCC(N)=[NH2+])CC1 82489518 573073253 /nfs/dbraw/zinc/07/32/53/573073253.db2.gz HEYPLJZGTGFOPS-SECBINFHSA-N 2 0 183.299 1.434 10 0 ADAERP C[C@@H]1CC(C)(C)CC[C@@]1([NH3+])C[NH3+] 88131927 573073318 /nfs/dbraw/zinc/07/33/18/573073318.db2.gz ATJHHVBXFNOXLG-PSASIEDQSA-N 2 0 170.300 1.489 10 0 ADAERP Cc1[nH]c(CCC[NH3+])[nH+]c1CC(C)C 258475263 573073454 /nfs/dbraw/zinc/07/34/54/573073454.db2.gz BAGWATKDSWALPW-UHFFFAOYSA-N 2 0 195.310 1.808 10 0 ADAERP C[C@@H]1CC(C)(C)CC[C@]1([NH3+])C[NH3+] 88131925 573073593 /nfs/dbraw/zinc/07/35/93/573073593.db2.gz ATJHHVBXFNOXLG-SCZZXKLOSA-N 2 0 170.300 1.489 10 0 ADAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCC[C@@H](C)CC1 82489508 573073520 /nfs/dbraw/zinc/07/35/20/573073520.db2.gz XXOMGSBARQAACC-ZJUUUORDSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@H]1CCC[N@@H+]([C@@H](C)CC(N)=[NH2+])CC1 82489509 573073614 /nfs/dbraw/zinc/07/36/14/573073614.db2.gz XXOMGSBARQAACC-UWVGGRQHSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@@H](CC[NH3+])[C@H]([NH3+])c1ccncc1 259322869 573073808 /nfs/dbraw/zinc/07/38/08/573073808.db2.gz KXPGLDQWLUQRCS-WPRPVWTQSA-N 2 0 179.267 1.066 10 0 ADAERP C[C@H]([NH3+])c1cccc([C@@H](C)[NH3+])c1 114334441 573075743 /nfs/dbraw/zinc/07/57/43/573075743.db2.gz KTTVDSBWONHHCD-OCAPTIKFSA-N 2 0 164.252 1.726 10 0 ADAERP C[C@H]1CCC[N@@H+](C[C@@H](C)C[NH3+])CC1 82488897 573074573 /nfs/dbraw/zinc/07/45/73/573074573.db2.gz XDWCNLOZJNSWKY-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])c1ccncc1 259322860 573074602 /nfs/dbraw/zinc/07/46/02/573074602.db2.gz KXPGLDQWLUQRCS-PSASIEDQSA-N 2 0 179.267 1.066 10 0 ADAERP CC(C)(C)[C@H]([NH3+])C[C@@H]1CC[NH2+]C1 259322813 573074687 /nfs/dbraw/zinc/07/46/87/573074687.db2.gz KXBXEWOKIDVTIQ-DTWKUNHWSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H]1CC(C)(C)CC[C@]1([NH3+])C[NH3+] 88131926 573074725 /nfs/dbraw/zinc/07/47/25/573074725.db2.gz ATJHHVBXFNOXLG-WPRPVWTQSA-N 2 0 170.300 1.489 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])C[C@@H]1CC[NH2+]C1 259322815 573074770 /nfs/dbraw/zinc/07/47/70/573074770.db2.gz KXBXEWOKIDVTIQ-IUCAKERBSA-N 2 0 170.300 1.359 10 0 ADAERP c1cc(NCC[C@@H]2CC[NH2+]C2)cc[nH+]1 82487611 573074833 /nfs/dbraw/zinc/07/48/33/573074833.db2.gz FKWNNYDFECHRSA-JTQLQIEISA-N 2 0 191.278 1.493 10 0 ADAERP CCC[C@H]([NH3+])CC[N@H+](C)CC1CC1 128572462 573074838 /nfs/dbraw/zinc/07/48/38/573074838.db2.gz AROUNQABCOKTNQ-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H](CC[NH3+])[C@@H]([NH3+])c1ccncc1 259322866 573074911 /nfs/dbraw/zinc/07/49/11/573074911.db2.gz KXPGLDQWLUQRCS-WCBMZHEXSA-N 2 0 179.267 1.066 10 0 ADAERP C[C@@H]([NH3+])c1cccc([C@@H](C)[NH3+])c1 114334440 573074919 /nfs/dbraw/zinc/07/49/19/573074919.db2.gz KTTVDSBWONHHCD-HTQZYQBOSA-N 2 0 164.252 1.726 10 0 ADAERP [NH3+]C1CCC([C@@H]([NH3+])C2CCC2)CC1 259322741 573074993 /nfs/dbraw/zinc/07/49/93/573074993.db2.gz KWQMFLPQNXETKM-ILDUYXDCSA-N 2 0 182.311 1.631 10 0 ADAERP C[C@H]1CC(C)(C)CC[C@@]1([NH3+])C[NH3+] 88131928 573076145 /nfs/dbraw/zinc/07/61/45/573076145.db2.gz ATJHHVBXFNOXLG-WCBMZHEXSA-N 2 0 170.300 1.489 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@H](C)CC[NH3+] 259321243 573075217 /nfs/dbraw/zinc/07/52/17/573075217.db2.gz JRICPCIVHJEQST-NXEZZACHSA-N 2 0 172.316 1.605 10 0 ADAERP C[NH2+][C@@H](CC(C)C)[C@@H](C)CC[NH3+] 259321247 573075466 /nfs/dbraw/zinc/07/54/66/573075466.db2.gz JRICPCIVHJEQST-UWVGGRQHSA-N 2 0 172.316 1.605 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]Cc1csc(C[NH3+])n1 85546033 573075710 /nfs/dbraw/zinc/07/57/10/573075710.db2.gz HFXXEFJXQPFWBZ-HTRCEHHLSA-N 2 0 197.307 1.100 10 0 ADAERP C[C@H]1CCC[N@H+](CCC(N)=[NH2+])CC1 82489519 573075717 /nfs/dbraw/zinc/07/57/17/573075717.db2.gz HEYPLJZGTGFOPS-VIFPVBQESA-N 2 0 183.299 1.434 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@@H](C)CC[NH3+] 259321249 573076014 /nfs/dbraw/zinc/07/60/14/573076014.db2.gz JRICPCIVHJEQST-VHSXEESVSA-N 2 0 172.316 1.605 10 0 ADAERP [NH3+]Cc1nc(C[NH2+]C2CCC2)cs1 85546018 573076165 /nfs/dbraw/zinc/07/61/65/573076165.db2.gz JNFTUAHVCQXPNZ-UHFFFAOYSA-N 2 0 197.307 1.244 10 0 ADAERP CC[NH2+]Cc1csc([C@@H](C)[NH3+])n1 85550121 573076366 /nfs/dbraw/zinc/07/63/66/573076366.db2.gz AJKZGLXTHGDNIK-ZCFIWIBFSA-N 2 0 185.296 1.272 10 0 ADAERP C[C@@H]([NH3+])CC[N@@H+]1CCC[C@@H](C)CC1 82496680 573076485 /nfs/dbraw/zinc/07/64/85/573076485.db2.gz GEYSFXSBHWMPPY-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CCc1ccccc1 78285482 573076529 /nfs/dbraw/zinc/07/65/29/573076529.db2.gz QIUUMDUFFIHHFL-LLVKDONJSA-N 2 0 192.306 1.556 10 0 ADAERP C[C@H]([NH3+])c1cccc([C@H](C)[NH3+])c1 114334443 573076601 /nfs/dbraw/zinc/07/66/01/573076601.db2.gz KTTVDSBWONHHCD-YUMQZZPRSA-N 2 0 164.252 1.726 10 0 ADAERP C/C=C/CN(C)[C@@H]1CCC[NH2+]C1 82499809 573077049 /nfs/dbraw/zinc/07/70/49/573077049.db2.gz KBKCXHUPNSKVDM-HMDXOVGESA-N 2 0 168.284 1.246 10 0 ADAERP CCC[C@@H]([NH3+])CC[N@H+](C)CC1CC1 128572645 573077489 /nfs/dbraw/zinc/07/74/89/573077489.db2.gz AROUNQABCOKTNQ-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]CCc1ccccc1 78285480 573077638 /nfs/dbraw/zinc/07/76/38/573077638.db2.gz QIUUMDUFFIHHFL-NSHDSACASA-N 2 0 192.306 1.556 10 0 ADAERP C[NH2+][C@@H](CC(C)C)[C@H](C)CC[NH3+] 259321252 573077693 /nfs/dbraw/zinc/07/76/93/573077693.db2.gz JRICPCIVHJEQST-ZJUUUORDSA-N 2 0 172.316 1.605 10 0 ADAERP C[C@H]1CCC[N@@H+]1C(C)(C)CCC[NH3+] 308250872 573077701 /nfs/dbraw/zinc/07/77/01/573077701.db2.gz BOBKFJRYJLWEIT-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H](CC[NH3+])[C@H]([NH3+])c1ccncc1 259322863 573077771 /nfs/dbraw/zinc/07/77/71/573077771.db2.gz KXPGLDQWLUQRCS-SCZZXKLOSA-N 2 0 179.267 1.066 10 0 ADAERP C[C@@H]1CCC[N@@H+]1C(C)(C)CCC[NH3+] 308250873 573077828 /nfs/dbraw/zinc/07/78/28/573077828.db2.gz BOBKFJRYJLWEIT-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC1(C[NH2+]C[C@@H]2C[C@H]2C[NH3+])CCCC1 715123079 573077861 /nfs/dbraw/zinc/07/78/61/573077861.db2.gz ZULXTXPACKOGSG-QWRGUYRKSA-N 2 0 196.338 1.751 10 0 ADAERP CN(c1cc[nH+]cc1)[C@H]1CCC[NH2+]C1 82500015 573078000 /nfs/dbraw/zinc/07/80/00/573078000.db2.gz NHTIISPGTDJACN-NSHDSACASA-N 2 0 191.278 1.270 10 0 ADAERP CC1(C[NH2+]C[C@H]2C[C@H]2C[NH3+])CCCC1 715123085 573078037 /nfs/dbraw/zinc/07/80/37/573078037.db2.gz ZULXTXPACKOGSG-WDEREUQCSA-N 2 0 196.338 1.751 10 0 ADAERP C/C=C/CN(C)[C@H]1CCC[NH2+]C1 82499811 573078105 /nfs/dbraw/zinc/07/81/05/573078105.db2.gz KBKCXHUPNSKVDM-FSIBCCDJSA-N 2 0 168.284 1.246 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+][C@@H]1CC1(C)C 128617794 573079330 /nfs/dbraw/zinc/07/93/30/573079330.db2.gz QFHNFEFSMOOPLL-NXEZZACHSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49773139 573078524 /nfs/dbraw/zinc/07/85/24/573078524.db2.gz XOUZHHODQDCQJW-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CC(C)(C)[C@H]([NH3+])C1(C[NH3+])CC1 259323547 573078628 /nfs/dbraw/zinc/07/86/28/573078628.db2.gz IUTUCEWZAPODHH-ZETCQYMHSA-N 2 0 156.273 1.099 10 0 ADAERP CC(C)=CCN(C)[C@H]1CCC[NH2+]C1 82499616 573078686 /nfs/dbraw/zinc/07/86/86/573078686.db2.gz NRMOQSCGJIQDPT-NSHDSACASA-N 2 0 182.311 1.636 10 0 ADAERP C[C@H]1C[C@@H](C[N@H+]2CC=CCC2)CC[NH2+]1 235698741 573078691 /nfs/dbraw/zinc/07/86/91/573078691.db2.gz CFTYTENJFBSXTF-RYUDHWBXSA-N 2 0 194.322 1.636 10 0 ADAERP CC(C)[NH2+]C1(C)CC[NH2+]CC1 114484346 573078721 /nfs/dbraw/zinc/07/87/21/573078721.db2.gz JKPONTPVDQWUIM-UHFFFAOYSA-N 2 0 156.273 1.127 10 0 ADAERP C1=CC[NH+](CC[C@H]2CCC[NH2+]C2)C1 114457125 573079058 /nfs/dbraw/zinc/07/90/58/573079058.db2.gz WJVXHZFUNYQVTH-LLVKDONJSA-N 2 0 180.295 1.248 10 0 ADAERP CC1(C[NH2+]C[C@@H]2C[C@@H]2C[NH3+])CCCC1 715123076 573079197 /nfs/dbraw/zinc/07/91/97/573079197.db2.gz ZULXTXPACKOGSG-MNOVXSKESA-N 2 0 196.338 1.751 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])C1(C[NH3+])CC1 259323543 573079221 /nfs/dbraw/zinc/07/92/21/573079221.db2.gz IUTUCEWZAPODHH-SSDOTTSWSA-N 2 0 156.273 1.099 10 0 ADAERP CC[C@@H]1C[NH2+]CCCC[N@@H+]1C 238269342 573079235 /nfs/dbraw/zinc/07/92/35/573079235.db2.gz PVKZHWUJFGPEKK-SECBINFHSA-N 2 0 156.273 1.080 10 0 ADAERP [NH3+]CC1([NH+]2CC=CC2)CCCC1 114457159 573079297 /nfs/dbraw/zinc/07/92/97/573079297.db2.gz AKALRYUQOOMLQZ-UHFFFAOYSA-N 2 0 166.268 1.130 10 0 ADAERP [NH3+]C1CCC([NH2+]Cc2cc[nH]c2)CC1 85579757 573079313 /nfs/dbraw/zinc/07/93/13/573079313.db2.gz LLICRLVWPOLMKN-UHFFFAOYSA-N 2 0 193.294 1.374 10 0 ADAERP CC1(C[NH2+]C[C@H]2C[C@@H]2C[NH3+])CCCC1 715123074 573079595 /nfs/dbraw/zinc/07/95/95/573079595.db2.gz ZULXTXPACKOGSG-GHMZBOCLSA-N 2 0 196.338 1.751 10 0 ADAERP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C(C)(C)C)C1 114472511 573079659 /nfs/dbraw/zinc/07/96/59/573079659.db2.gz IAGMHJKHFYFEOW-RKDXNWHRSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[NH2+]CCc1ccccc1C[NH3+] 88138416 573079742 /nfs/dbraw/zinc/07/97/42/573079742.db2.gz JUTKMQSMNCNQTJ-UHFFFAOYSA-N 2 0 192.306 1.687 10 0 ADAERP C[N@H+](C[Si](C)(C)C)C1CC([NH3+])C1 401800512 573079754 /nfs/dbraw/zinc/07/97/54/573079754.db2.gz MZBACCPVFSNOBB-UHFFFAOYSA-N 2 0 186.375 1.285 10 0 ADAERP CC(C)=CCN(C)[C@@H]1CCC[NH2+]C1 82499614 573079817 /nfs/dbraw/zinc/07/98/17/573079817.db2.gz NRMOQSCGJIQDPT-LLVKDONJSA-N 2 0 182.311 1.636 10 0 ADAERP C[C@@H]([C@H]1CCC[NH2+]C1)[NH+]1CC=CC1 114457057 573079893 /nfs/dbraw/zinc/07/98/93/573079893.db2.gz QNSHQTTZFNNOCU-QWRGUYRKSA-N 2 0 180.295 1.246 10 0 ADAERP CC[C@@H](C)[C@@H]([NH3+])C[NH2+]C1CC(C)C1 123579313 573079949 /nfs/dbraw/zinc/07/99/49/573079949.db2.gz DOQFJHDBJKEQOQ-DJRKXVOMSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H](C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400383379 573080126 /nfs/dbraw/zinc/08/01/26/573080126.db2.gz XPAHHUWFOAGTKD-AXFHLTTASA-N 2 0 184.327 1.620 10 0 ADAERP C1=CC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 114457128 573080365 /nfs/dbraw/zinc/08/03/65/573080365.db2.gz WJVXHZFUNYQVTH-NSHDSACASA-N 2 0 180.295 1.248 10 0 ADAERP C/C=C\CC[NH2+][C@@H](C)CC[NH+](C)C 308251388 573080556 /nfs/dbraw/zinc/08/05/56/573080556.db2.gz BGMGOUZRPYIYLI-GZTOBOFZSA-N 2 0 184.327 1.882 10 0 ADAERP CC[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400383380 573080651 /nfs/dbraw/zinc/08/06/51/573080651.db2.gz XPAHHUWFOAGTKD-DCAQKATOSA-N 2 0 184.327 1.620 10 0 ADAERP C[C@H](CCC[NH3+])C[NH+]1CCCCC1 128626254 573080982 /nfs/dbraw/zinc/08/09/82/573080982.db2.gz OVECGFWPWOEICB-LLVKDONJSA-N 2 0 184.327 1.847 10 0 ADAERP [NH3+]Cc1ccccc1C[NH+]1CC=CC1 114457080 573081626 /nfs/dbraw/zinc/08/16/26/573081626.db2.gz WEXLARHQDQALHN-UHFFFAOYSA-N 2 0 188.274 1.517 10 0 ADAERP C[C@H]1CCC[N@@H+](CC[C@@H](C)[NH3+])CC1 82496681 573081766 /nfs/dbraw/zinc/08/17/66/573081766.db2.gz GEYSFXSBHWMPPY-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CN(c1cc[nH+]cc1)[C@@H]1CCC[NH2+]C1 82500013 573082117 /nfs/dbraw/zinc/08/21/17/573082117.db2.gz NHTIISPGTDJACN-LLVKDONJSA-N 2 0 191.278 1.270 10 0 ADAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C(C)(C)C)C1 114472514 573082139 /nfs/dbraw/zinc/08/21/39/573082139.db2.gz IAGMHJKHFYFEOW-DTWKUNHWSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[C@H]([NH3+])CC[NH2+][C@@H]1CC1(C)C 128617546 573082322 /nfs/dbraw/zinc/08/23/22/573082322.db2.gz QFHNFEFSMOOPLL-VHSXEESVSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+][C@H]1CC1(C)C 128618216 573082543 /nfs/dbraw/zinc/08/25/43/573082543.db2.gz QFHNFEFSMOOPLL-ZJUUUORDSA-N 2 0 184.327 1.892 10 0 ADAERP CC[NH2+]/C=C/C=C/[NH2+]CC 104620401 573082549 /nfs/dbraw/zinc/08/25/49/573082549.db2.gz GGIVOVKFICBZJC-KQQUZDAGSA-N 2 0 140.230 1.233 10 0 ADAERP [NH3+][C@H]1CCCCC[C@H]1[NH+]1CC=CC1 114457111 573082663 /nfs/dbraw/zinc/08/26/63/573082663.db2.gz YPLZMGBPIXYDBU-WDEREUQCSA-N 2 0 180.295 1.518 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC1CC1 308497338 573082823 /nfs/dbraw/zinc/08/28/23/573082823.db2.gz UFARRIGMYKQUHS-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP C1=CC[NH+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 114457034 573082928 /nfs/dbraw/zinc/08/29/28/573082928.db2.gz JUPKVSXIDSYZQP-ZACCUICWSA-N 2 0 178.279 1.141 10 0 ADAERP C[C@@H](CCC[NH3+])C[NH+]1CCCCC1 128626017 573082940 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YPLZMGBPIXYDBU-GHMZBOCLSA-N 2 0 180.295 1.518 10 0 ADAERP C[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC1CC1 308497336 573084342 /nfs/dbraw/zinc/08/43/42/573084342.db2.gz UFARRIGMYKQUHS-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[NH2+]CC[C@H]1CCCC[N@@H+]1C 49773141 573084435 /nfs/dbraw/zinc/08/44/35/573084435.db2.gz XOUZHHODQDCQJW-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[C@@H]([C@@H]1CCC[NH2+]C1)[NH+]1CC=CC1 114457054 573084541 /nfs/dbraw/zinc/08/45/41/573084541.db2.gz QNSHQTTZFNNOCU-WDEREUQCSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@H]([C@@H]1CCC[NH2+]C1)[NH+]1CC=CC1 114457055 573084777 /nfs/dbraw/zinc/08/47/77/573084777.db2.gz QNSHQTTZFNNOCU-GHMZBOCLSA-N 2 0 180.295 1.246 10 0 ADAERP CCC[C@@H]([NH3+])CCc1c[nH+]c(C)n1C 308498405 573084986 /nfs/dbraw/zinc/08/49/86/573084986.db2.gz UTBXLMLXYFXZMS-SNVBAGLBSA-N 2 0 195.310 1.789 10 0 ADAERP CCC[C@@H]([NH3+])CC[N@H+](C)CCOC 128588086 573085024 /nfs/dbraw/zinc/08/50/24/573085024.db2.gz VDNRNWCSODUOPZ-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP 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197.307 1.240 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@]1(C)C1CCCCC1 107187107 573091775 /nfs/dbraw/zinc/09/17/75/573091775.db2.gz CZQLBJZXFXCRNA-VXGBXAGGSA-N 2 0 196.338 1.988 10 0 ADAERP CC[NH+]1CCC([C@H]2C[NH2+][C@H](C)C2)CC1 258234240 573091969 /nfs/dbraw/zinc/09/19/69/573091969.db2.gz PPTHKXRAMVOECA-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H]2CC23CC[NH2+]CC3)C1 258231785 573092189 /nfs/dbraw/zinc/09/21/89/573092189.db2.gz ZMTSUSBIQFUURZ-WDEREUQCSA-N 2 0 194.322 1.328 10 0 ADAERP CC[C@H](C[C@@H]1CCC[NH2+]C1)[NH2+]C 259324438 573092790 /nfs/dbraw/zinc/09/27/90/573092790.db2.gz JTYCAVOLSZXEKD-VHSXEESVSA-N 2 0 170.300 1.374 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223182506 573092972 /nfs/dbraw/zinc/09/29/72/573092972.db2.gz JCDMIDHZVPXZGH-GHMZBOCLSA-N 2 0 182.311 1.598 10 0 ADAERP Cc1[nH]c(CCC2([NH3+])CC2)[nH+]c1C 257943386 573093377 /nfs/dbraw/zinc/09/33/77/573093377.db2.gz VIKREXXVCJLYOF-UHFFFAOYSA-N 2 0 179.267 1.450 10 0 ADAERP 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IVZKSMYXIJSBHN-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@H](CCC[NH3+])c1cccc(F)c1 259332919 573111451 /nfs/dbraw/zinc/11/14/51/573111451.db2.gz KACKHBBOIPZROT-LLVKDONJSA-N 2 0 196.269 1.825 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 85665586 573111687 /nfs/dbraw/zinc/11/16/87/573111687.db2.gz AHDJKCMHVZAZKT-DCAQKATOSA-N 2 0 182.311 1.517 10 0 ADAERP CC[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 85665594 573111805 /nfs/dbraw/zinc/11/18/05/573111805.db2.gz ZPXMTZPHOKMKIE-SRVKXCTJSA-N 2 0 196.338 1.907 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCC1 88225490 573111947 /nfs/dbraw/zinc/11/19/47/573111947.db2.gz BYXZLXBMQNMKCL-SNVBAGLBSA-N 2 0 195.310 1.253 10 0 ADAERP C[NH2+][C@@H](C)c1ccccc1C[NH3+] 258479330 573112138 /nfs/dbraw/zinc/11/21/38/573112138.db2.gz JBKNXOAUGYTKTE-QMMMGPOBSA-N 2 0 164.252 1.426 10 0 ADAERP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1C[C@H]1[C@H]1C[C@H]1C 717132279 573112297 /nfs/dbraw/zinc/11/22/97/573112297.db2.gz RWOQNCBDJMWWRR-PZWNZHSQSA-N 2 0 196.338 1.558 10 0 ADAERP C[C@]1([NH3+])CCCN2CCCC[C@@H]21 258528210 573112318 /nfs/dbraw/zinc/11/23/18/573112318.db2.gz MZIXACTVRDFMGU-ZJUUUORDSA-N 2 0 168.284 1.352 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])c1cccc(F)c1 259332923 573113031 /nfs/dbraw/zinc/11/30/31/573113031.db2.gz KACKHBBOIPZROT-NSHDSACASA-N 2 0 196.269 1.825 10 0 ADAERP CCCC[N@@H+]1C[C@H](C[NH3+])CC1(C)C 259332707 573113515 /nfs/dbraw/zinc/11/35/15/573113515.db2.gz IYDFNKZLOVEIFA-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@H]1[C@H]1C[C@H]1C 717132280 573113200 /nfs/dbraw/zinc/11/32/00/573113200.db2.gz RWOQNCBDJMWWRR-WTPMCQDGSA-N 2 0 196.338 1.558 10 0 ADAERP C[NH2+]C[C@H]1CC[N@H+](C2CC2)[C@@H]1C 259329907 573113299 /nfs/dbraw/zinc/11/32/99/573113299.db2.gz RKDBQOVFBCVKRX-RKDXNWHRSA-N 2 0 168.284 1.079 10 0 ADAERP C[N@@H+]1CC[C@]2(CCC[NH2+]C2)[C@H](F)C1 257944753 573113348 /nfs/dbraw/zinc/11/33/48/573113348.db2.gz VNNUUEMQGSDJRQ-ZJUUUORDSA-N 2 0 186.274 1.030 10 0 ADAERP [NH3+]CC1(Nc2cc[nH+]cc2)CCCC1 82592923 573113426 /nfs/dbraw/zinc/11/34/26/573113426.db2.gz QERDPRQEZVSEHG-UHFFFAOYSA-N 2 0 191.278 1.765 10 0 ADAERP Cc1ccc([C@@H](C[NH3+])C[NH+](C)C)s1 258232830 573113453 /nfs/dbraw/zinc/11/34/53/573113453.db2.gz RMEWBFNHIHYHPS-VIFPVBQESA-N 2 0 198.335 1.660 10 0 ADAERP CC[C@H](C)[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594379 573113922 /nfs/dbraw/zinc/11/39/22/573113922.db2.gz VIFRDRVDBWKPGE-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP Cc1[nH]c([C@@H]2CC[N@@H+](C)C2)cc1C[NH3+] 259332629 573113969 /nfs/dbraw/zinc/11/39/69/573113969.db2.gz UUDLLVZWHIBBLM-SECBINFHSA-N 2 0 193.294 1.201 10 0 ADAERP CC[C@H](C[NH2+]CCC[NH3+])CC(F)F 688733796 573114211 /nfs/dbraw/zinc/11/42/11/573114211.db2.gz GXARPITVIXYJSE-QMMMGPOBSA-N 2 0 194.269 1.606 10 0 ADAERP C[C@]1(c2cnccc2N)CCC[NH2+]1 85698552 573114292 /nfs/dbraw/zinc/11/42/92/573114292.db2.gz CAENXVBUQZXHOP-SNVBAGLBSA-N 2 0 177.251 1.262 10 0 ADAERP C/C=C/C[NH2+][C@@H]1CCN(C)[C@@H]1C 642844540 573114347 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C[C@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)[NH3+] 85677914 573115540 /nfs/dbraw/zinc/11/55/40/573115540.db2.gz NHVWTHMQNGTQFO-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP CC1(C)CN[C@](C)([C@@H]2CCC[NH2+]2)OC1 258479772 573115851 /nfs/dbraw/zinc/11/58/51/573115851.db2.gz LGWPCIPCQBMGHI-ONGXEEELSA-N 2 0 198.310 1.101 10 0 ADAERP [NH3+]CCCC1(C[NH3+])CCCC1 143998597 573115732 /nfs/dbraw/zinc/11/57/32/573115732.db2.gz XFODZLPXBNOTTE-UHFFFAOYSA-N 2 0 156.273 1.244 10 0 ADAERP CC(C)[C@H](CCC[NH3+])[NH+](C)C 259330810 573115790 /nfs/dbraw/zinc/11/57/90/573115790.db2.gz DVIWIJDEPZLSMT-VIFPVBQESA-N 2 0 158.289 1.312 10 0 ADAERP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCCCC1 85678232 573115895 /nfs/dbraw/zinc/11/58/95/573115895.db2.gz FBIKFYYTFCXOSI-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](C[NH3+])Nc1cc[nH+]cc1 82591883 573115935 /nfs/dbraw/zinc/11/59/35/573115935.db2.gz FOHACMOHMSWKBA-QMMMGPOBSA-N 2 0 165.240 1.231 10 0 ADAERP CC[C@H](C[NH3+])Nc1cc[nH+]cc1 82591884 573115974 /nfs/dbraw/zinc/11/59/74/573115974.db2.gz FOHACMOHMSWKBA-MRVPVSSYSA-N 2 0 165.240 1.231 10 0 ADAERP C[N@@H+]1CC[C@@]2(CCC[NH2+]C2)[C@@H](F)C1 257944749 573116182 /nfs/dbraw/zinc/11/61/82/573116182.db2.gz VNNUUEMQGSDJRQ-VHSXEESVSA-N 2 0 186.274 1.030 10 0 ADAERP Cc1ccc([C@H](C[NH3+])C[NH+](C)C)s1 258232829 573116269 /nfs/dbraw/zinc/11/62/69/573116269.db2.gz RMEWBFNHIHYHPS-SECBINFHSA-N 2 0 198.335 1.660 10 0 ADAERP CCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 131915886 573116297 /nfs/dbraw/zinc/11/62/97/573116297.db2.gz RZMWAUVUEXUIBV-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H](C[NH2+]CCC[NH3+])CC(F)F 688733794 573116351 /nfs/dbraw/zinc/11/63/51/573116351.db2.gz GXARPITVIXYJSE-MRVPVSSYSA-N 2 0 194.269 1.606 10 0 ADAERP CC[C@H](C)[C@H]([NH3+])C[NH2+]CC(C)(C)C 40494963 573116431 /nfs/dbraw/zinc/11/64/31/573116431.db2.gz AGWBJUPCRYJMDV-VHSXEESVSA-N 2 0 186.343 1.996 10 0 ADAERP [NH3+]C1CC([C@H]([NH3+])c2cccc(F)c2)C1 259331380 573116464 /nfs/dbraw/zinc/11/64/64/573116464.db2.gz LFHVQILXCRVINC-BOBPJJCASA-N 2 0 194.253 1.563 10 0 ADAERP C[NH+](C)[C@@H]1CCCC12CC[NH2+]CC2 238287988 573116480 /nfs/dbraw/zinc/11/64/80/573116480.db2.gz LUNRMJQSUAHARB-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP C[N@@H+]1CC[C@]2(CCC[NH2+]C2)[C@@H](F)C1 257944745 573116973 /nfs/dbraw/zinc/11/69/73/573116973.db2.gz VNNUUEMQGSDJRQ-UWVGGRQHSA-N 2 0 186.274 1.030 10 0 ADAERP C[C@@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)[NH3+] 85677911 573117127 /nfs/dbraw/zinc/11/71/27/573117127.db2.gz NHVWTHMQNGTQFO-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP CC1(C)CN[C@](C)([C@H]2CCC[NH2+]2)OC1 258479761 573117248 /nfs/dbraw/zinc/11/72/48/573117248.db2.gz LGWPCIPCQBMGHI-KOLCDFICSA-N 2 0 198.310 1.101 10 0 ADAERP [NH3+][C@@H](CNc1cc[nH+]cc1)C1CC1 82593959 573117361 /nfs/dbraw/zinc/11/73/61/573117361.db2.gz UJRQEWHBCDASEQ-JTQLQIEISA-N 2 0 177.251 1.231 10 0 ADAERP C[C@]1(C[NH3+])CCN(c2ccccn2)C1 235710239 573117370 /nfs/dbraw/zinc/11/73/70/573117370.db2.gz HZODBQWVEPOMRX-LLVKDONJSA-N 2 0 191.278 1.257 10 0 ADAERP 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/nfs/dbraw/zinc/11/80/38/573118038.db2.gz KZMNKHGIWBPJMB-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+]CC(C)(C)C 40494962 573118088 /nfs/dbraw/zinc/11/80/88/573118088.db2.gz AGWBJUPCRYJMDV-NXEZZACHSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@H]([NH3+])C(C)(C)C[NH+]1CCCCC1 85678231 573118166 /nfs/dbraw/zinc/11/81/66/573118166.db2.gz FBIKFYYTFCXOSI-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+]Cc1cc2cccc(C[NH3+])c2o1 257944992 573118593 /nfs/dbraw/zinc/11/85/93/573118593.db2.gz WFPMWFAUZUZSSN-UHFFFAOYSA-N 2 0 190.246 1.611 10 0 ADAERP CCCCC[C@H]([NH3+])[C@H](C)[NH3+] 104649789 573118680 /nfs/dbraw/zinc/11/86/80/573118680.db2.gz SGMCLQKQDCHEFT-YUMQZZPRSA-N 2 0 144.262 1.241 10 0 ADAERP CC1(C)CN[C@@](C)([C@@H]2CCC[NH2+]2)OC1 258479756 573118688 /nfs/dbraw/zinc/11/86/88/573118688.db2.gz LGWPCIPCQBMGHI-GXSJLCMTSA-N 2 0 198.310 1.101 10 0 ADAERP C[C@]1(Cc2cnccc2N)CCC[NH2+]1 85698405 573118699 /nfs/dbraw/zinc/11/86/99/573118699.db2.gz ARYBRVFUZPBRFR-LLVKDONJSA-N 2 0 191.278 1.348 10 0 ADAERP C[C@@]1(Cc2ccnc(N)c2)CCC[NH2+]1 85697868 573118715 /nfs/dbraw/zinc/11/87/15/573118715.db2.gz HQXZLKHQCWXHAN-NSHDSACASA-N 2 0 191.278 1.348 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+]CC(C)(C)C 40494954 573118757 /nfs/dbraw/zinc/11/87/57/573118757.db2.gz FHVQLKIZXCLMOT-JTQLQIEISA-N 2 0 186.343 1.996 10 0 ADAERP CC[C@@H](C)[C@@H]([NH3+])C[NH2+]CC(C)(C)C 40494964 573118834 /nfs/dbraw/zinc/11/88/34/573118834.db2.gz AGWBJUPCRYJMDV-ZJUUUORDSA-N 2 0 186.343 1.996 10 0 ADAERP CCCCC[C@@H]([NH3+])[C@@H](C)[NH3+] 104649785 573118858 /nfs/dbraw/zinc/11/88/58/573118858.db2.gz SGMCLQKQDCHEFT-HTQZYQBOSA-N 2 0 144.262 1.241 10 0 ADAERP C[C@@]1(c2cnccc2N)CCC[NH2+]1 85698554 573118867 /nfs/dbraw/zinc/11/88/67/573118867.db2.gz CAENXVBUQZXHOP-JTQLQIEISA-N 2 0 177.251 1.262 10 0 ADAERP CC1([NH2+]CCC[NH2+]CC2CC2)CCC1 717135793 573119236 /nfs/dbraw/zinc/11/92/36/573119236.db2.gz ABNQGOLFFLVOIM-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP C[NH2+]C/C=C\CC[NH+]1CCCCC1 257946980 573119410 /nfs/dbraw/zinc/11/94/10/573119410.db2.gz DZWGZPDVYDFQFF-RQOWECAXSA-N 2 0 182.311 1.638 10 0 ADAERP [NH3+]CCC[C@H]1CCCN1CC(F)F 82596839 573119737 /nfs/dbraw/zinc/11/97/37/573119737.db2.gz FYLRNOKGTRAGQJ-QMMMGPOBSA-N 2 0 192.253 1.455 10 0 ADAERP C[C@@H]1CN[C@@](C)(CC[NH+]2CCCC2)O1 258479818 573119869 /nfs/dbraw/zinc/11/98/69/573119869.db2.gz LHKHPKYUZPFBIV-GHMZBOCLSA-N 2 0 198.310 1.197 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CCC[NH2+]CC1CC1 717136946 573119902 /nfs/dbraw/zinc/11/99/02/573119902.db2.gz GZRYFEQHFACNDH-LLVKDONJSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+]C1CC([C@@H]([NH3+])c2cccc(F)c2)C1 259331383 573120159 /nfs/dbraw/zinc/12/01/59/573120159.db2.gz LFHVQILXCRVINC-RFBVYIQQSA-N 2 0 194.253 1.563 10 0 ADAERP CCCCC[C@H]([NH3+])[C@@H](C)[NH3+] 104649780 573120178 /nfs/dbraw/zinc/12/01/78/573120178.db2.gz SGMCLQKQDCHEFT-SFYZADRCSA-N 2 0 144.262 1.241 10 0 ADAERP C[C@H]1CN[C@@](C)(CC[NH+]2CCCC2)O1 258479832 573120387 /nfs/dbraw/zinc/12/03/87/573120387.db2.gz LHKHPKYUZPFBIV-WDEREUQCSA-N 2 0 198.310 1.197 10 0 ADAERP CCCCC[C@@H]([NH3+])[C@H](C)[NH3+] 104649792 573120627 /nfs/dbraw/zinc/12/06/27/573120627.db2.gz SGMCLQKQDCHEFT-JGVFFNPUSA-N 2 0 144.262 1.241 10 0 ADAERP CC[C@@]1([NH3+])CCC[C@@H]([NH+](C)C)C1 642845907 573121115 /nfs/dbraw/zinc/12/11/15/573121115.db2.gz HZJAVJNROUCSJX-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP CC[N@@H+]1CC[C@@H](CC2([NH3+])CCC2)C1 257947944 573121270 /nfs/dbraw/zinc/12/12/70/573121270.db2.gz IMFRZKCIKFPSKC-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP C/C=C\C[NH+]1CCC([NH3+])(CC)CC1 642846880 573122088 /nfs/dbraw/zinc/12/20/88/573122088.db2.gz AVLRJWRVNMLHAW-HYXAFXHYSA-N 2 0 182.311 1.766 10 0 ADAERP C[NH2+]CCC[C@@H]([NH2+]C)C1CCCC1 259335961 573122869 /nfs/dbraw/zinc/12/28/69/573122869.db2.gz KDIVAQLTZLAQBV-LLVKDONJSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@H]([NH2+]C)C1(C[NH2+]C)CCC1 259336002 573122489 /nfs/dbraw/zinc/12/24/89/573122489.db2.gz KDYAHPWVRDGXTC-VIFPVBQESA-N 2 0 170.300 1.374 10 0 ADAERP Cn1cc(C[NH3+])c2cccc(C[NH3+])c21 257948228 573122500 /nfs/dbraw/zinc/12/25/00/573122500.db2.gz WOADWCOPZDBVQS-UHFFFAOYSA-N 2 0 189.262 1.096 10 0 ADAERP CC[N@@H+]1CC[C@H](CC2([NH3+])CCC2)C1 257947945 573122703 /nfs/dbraw/zinc/12/27/03/573122703.db2.gz IMFRZKCIKFPSKC-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@H](C)[C@H](C)[NH3+] 252858759 573122813 /nfs/dbraw/zinc/12/28/13/573122813.db2.gz MCMLQNXTDPBQTI-UWVGGRQHSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[NH2+]CC[NH2+]CC(C)(C)C 40494992 573123316 /nfs/dbraw/zinc/12/33/16/573123316.db2.gz MOFNCNOCFHZZOE-UHFFFAOYSA-N 2 0 172.316 1.620 10 0 ADAERP C[C@H]([NH3+])C[C@H]([NH3+])c1cccc(F)c1 259334791 573123416 /nfs/dbraw/zinc/12/34/16/573123416.db2.gz LILHAQSAXLLPSA-XVKPBYJWSA-N 2 0 182.242 1.563 10 0 ADAERP C[C@H]1CN[C@](C)(CC[NH+]2CCCC2)O1 258479828 573123424 /nfs/dbraw/zinc/12/34/24/573123424.db2.gz LHKHPKYUZPFBIV-QWRGUYRKSA-N 2 0 198.310 1.197 10 0 ADAERP CC(C)(CC[NH3+])[C@H]([NH3+])c1ccc[nH]1 259337178 573123607 /nfs/dbraw/zinc/12/36/07/573123607.db2.gz LLDASAYHPHNMIM-SECBINFHSA-N 2 0 181.283 1.390 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@@H](C)[C@H](C)[NH3+] 252858760 573123697 /nfs/dbraw/zinc/12/36/97/573123697.db2.gz MCMLQNXTDPBQTI-ZJUUUORDSA-N 2 0 184.327 1.702 10 0 ADAERP CCNC(=[NH2+])[C@@H](N)c1ccccc1 238280467 573123848 /nfs/dbraw/zinc/12/38/48/573123848.db2.gz UCRSBXWTYJZQQT-VIFPVBQESA-N 2 0 177.251 1.273 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]([NH3+])c1cccc(F)c1 259334785 573124149 /nfs/dbraw/zinc/12/41/49/573124149.db2.gz LILHAQSAXLLPSA-GMSGAONNSA-N 2 0 182.242 1.563 10 0 ADAERP CCNC(=[NH2+])[C@H](N)c1ccccc1 238280548 573124367 /nfs/dbraw/zinc/12/43/67/573124367.db2.gz UCRSBXWTYJZQQT-SECBINFHSA-N 2 0 177.251 1.273 10 0 ADAERP C[NH+](C)[C@@H]1CCC[C@H](C(C)(C)[NH3+])C1 238288910 573124772 /nfs/dbraw/zinc/12/47/72/573124772.db2.gz VJMSRJVDHKDQHS-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH+](C)[C@@H]1CCC[C@@H](C(C)(C)[NH3+])C1 238288693 573125037 /nfs/dbraw/zinc/12/50/37/573125037.db2.gz VJMSRJVDHKDQHS-NXEZZACHSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]CCC[C@H]([NH2+]C)C1CCCC1 259335963 573125119 /nfs/dbraw/zinc/12/51/19/573125119.db2.gz KDIVAQLTZLAQBV-NSHDSACASA-N 2 0 184.327 1.764 10 0 ADAERP C[C@H]([NH3+])C[C@@H]([NH3+])c1cccc(F)c1 259334787 573125193 /nfs/dbraw/zinc/12/51/93/573125193.db2.gz LILHAQSAXLLPSA-OIBJUYFYSA-N 2 0 182.242 1.563 10 0 ADAERP CC(C)(CC[NH3+])[C@@H]([NH3+])c1ccc[nH]1 259337182 573125466 /nfs/dbraw/zinc/12/54/66/573125466.db2.gz LLDASAYHPHNMIM-VIFPVBQESA-N 2 0 181.283 1.390 10 0 ADAERP [NH3+]C1(C[C@@H]2CC[NH2+]C23CC3)CC1 258530794 573125365 /nfs/dbraw/zinc/12/53/65/573125365.db2.gz NIHYWNIUWMFXCC-QMMMGPOBSA-N 2 0 166.268 1.010 10 0 ADAERP CC[NH2+][C@]1(C)CC[C@@H]([NH3+])C1(C)C 238281040 573125748 /nfs/dbraw/zinc/12/57/48/573125748.db2.gz WRYJQSCPIJXYAW-PSASIEDQSA-N 2 0 170.300 1.502 10 0 ADAERP C[NH+](C)C(C)(C)[C@H]([NH3+])C(C)(C)C 85736585 573125783 /nfs/dbraw/zinc/12/57/83/573125783.db2.gz WGRAOENPHHYSLH-MRVPVSSYSA-N 2 0 172.316 1.700 10 0 ADAERP CC[N@@H+]1CC[C@@H](CC2([NH3+])CC2)C1 257950938 573125726 /nfs/dbraw/zinc/12/57/26/573125726.db2.gz IODZCVLWELMLED-VIFPVBQESA-N 2 0 168.284 1.210 10 0 ADAERP CC[N@@H+]1CC[C@H](CC2([NH3+])CC2)C1 257950937 573126018 /nfs/dbraw/zinc/12/60/18/573126018.db2.gz IODZCVLWELMLED-SECBINFHSA-N 2 0 168.284 1.210 10 0 ADAERP CC(C)[NH2+]CCC1=CCC[NH2+]C1 257949468 573126031 /nfs/dbraw/zinc/12/60/31/573126031.db2.gz MFLJXQREYJNRGQ-UHFFFAOYSA-N 2 0 168.284 1.294 10 0 ADAERP CC[N@@H+]1CC[C@@H](C2([NH3+])CCCC2)C1 257951106 573126211 /nfs/dbraw/zinc/12/62/11/573126211.db2.gz IQRANEZWKVDCTH-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[NH2+]C)[C@H]1C 259334935 573126363 /nfs/dbraw/zinc/12/63/63/573126363.db2.gz RUWVFHGIHOKBJA-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CCC[C@@H]([NH3+])c1ccc(C[NH3+])cc1 259334522 573126397 /nfs/dbraw/zinc/12/63/97/573126397.db2.gz LGVUMLXRSYYZEH-LLVKDONJSA-N 2 0 178.279 1.945 10 0 ADAERP C[C@H]([NH3+])CCC1=CCC[NH2+]C1 257950559 573126455 /nfs/dbraw/zinc/12/64/55/573126455.db2.gz FEFHVEKZPIENDA-QMMMGPOBSA-N 2 0 154.257 1.034 10 0 ADAERP CC(C)[C@@H]([NH3+])C(C)(C)[NH+](C)C 85736949 573126464 /nfs/dbraw/zinc/12/64/64/573126464.db2.gz YVHJQGTWEVJWQU-MRVPVSSYSA-N 2 0 158.289 1.310 10 0 ADAERP Cc1nc[nH]c1C[C@H]1CCCC[NH2+]1 257950414 573126591 /nfs/dbraw/zinc/12/65/91/573126591.db2.gz WBLXATAZPQKGSW-SECBINFHSA-N 2 0 179.267 1.403 10 0 ADAERP CC[C@@H]([NH2+]C)C1(C[NH2+]C)CCC1 259335999 573126880 /nfs/dbraw/zinc/12/68/80/573126880.db2.gz KDYAHPWVRDGXTC-SECBINFHSA-N 2 0 170.300 1.374 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C2C[NH2+]C2)cc1 259334532 573126993 /nfs/dbraw/zinc/12/69/93/573126993.db2.gz LGXLNVQFBWVEBC-LLVKDONJSA-N 2 0 176.263 1.214 10 0 ADAERP C[NH2+][C@@H](C)c1cnc(CC[NH+](C)C)o1 257950095 573128282 /nfs/dbraw/zinc/12/82/82/573128282.db2.gz FUASEYFUHXONSH-QMMMGPOBSA-N 2 0 197.282 1.059 10 0 ADAERP CCC[C@H]([NH3+])c1ccc(C[NH3+])cc1 259334528 573127176 /nfs/dbraw/zinc/12/71/76/573127176.db2.gz LGVUMLXRSYYZEH-NSHDSACASA-N 2 0 178.279 1.945 10 0 ADAERP CC[N@@H+]1CCC=C(CCC[NH3+])C1 257950379 573127396 /nfs/dbraw/zinc/12/73/96/573127396.db2.gz FCVDNDNKILCFRR-UHFFFAOYSA-N 2 0 168.284 1.377 10 0 ADAERP C[NH+](C)C(C)(C)[C@H]([NH3+])C1CCCC1 85736487 573127403 /nfs/dbraw/zinc/12/74/03/573127403.db2.gz BBEOCYNNQKRNTG-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]C1CCC([NH2+]CC(C)C)CC1 259334888 573127470 /nfs/dbraw/zinc/12/74/70/573127470.db2.gz RTPYUZGDCSQZOH-UHFFFAOYSA-N 2 0 184.327 1.763 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C)[C@@H]1C 259334937 573127481 /nfs/dbraw/zinc/12/74/81/573127481.db2.gz RUWVFHGIHOKBJA-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP Cc1nc[nH]c1C[C@@H]1CCCC[NH2+]1 257950418 573127577 /nfs/dbraw/zinc/12/75/77/573127577.db2.gz WBLXATAZPQKGSW-VIFPVBQESA-N 2 0 179.267 1.403 10 0 ADAERP CC[N@@H+]1C[C@@H](C[NH2+]C)CC1(C)C 259335787 573127655 /nfs/dbraw/zinc/12/76/55/573127655.db2.gz JBOMWZOFKGYRRT-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH+](C)C(C)(C)[C@@H]([NH3+])C1CCCC1 85736491 573127918 /nfs/dbraw/zinc/12/79/18/573127918.db2.gz BBEOCYNNQKRNTG-JTQLQIEISA-N 2 0 184.327 1.844 10 0 ADAERP Cc1ccc([C@H]([NH3+])C2C[NH2+]C2)cc1 259334537 573128088 /nfs/dbraw/zinc/12/80/88/573128088.db2.gz LGXLNVQFBWVEBC-NSHDSACASA-N 2 0 176.263 1.214 10 0 ADAERP C[NH+](C)C(C)(C)[C@H]([NH3+])C1CC1 85736868 573128543 /nfs/dbraw/zinc/12/85/43/573128543.db2.gz XMKVKXQUSWHUDX-MRVPVSSYSA-N 2 0 156.273 1.064 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C)[C@H]1C 259334940 573128572 /nfs/dbraw/zinc/12/85/72/573128572.db2.gz RUWVFHGIHOKBJA-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[N@@H+]1C[C@H](C[NH2+]C)CC1(C)C 259335791 573128679 /nfs/dbraw/zinc/12/86/79/573128679.db2.gz JBOMWZOFKGYRRT-VIFPVBQESA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+][C@H](C)c1cnc(CC[NH+](C)C)o1 257950091 573129354 /nfs/dbraw/zinc/12/93/54/573129354.db2.gz FUASEYFUHXONSH-MRVPVSSYSA-N 2 0 197.282 1.059 10 0 ADAERP C[NH+](C)C(C)(C)[C@@H]([NH3+])C(C)(C)C 85736580 573129515 /nfs/dbraw/zinc/12/95/15/573129515.db2.gz WGRAOENPHHYSLH-QMMMGPOBSA-N 2 0 172.316 1.700 10 0 ADAERP CC[N@@H+]1CC[C@H](C2([NH3+])CCCC2)C1 257951104 573129615 /nfs/dbraw/zinc/12/96/15/573129615.db2.gz IQRANEZWKVDCTH-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CCSCCC[NH2+]CCN(C)C 128861356 573129656 /nfs/dbraw/zinc/12/96/56/573129656.db2.gz ZWCHQSUMVUBXQD-UHFFFAOYSA-N 2 0 190.356 1.281 10 0 ADAERP C[C@@H]([NH3+])CCC1=CCC[NH2+]C1 257950553 573130108 /nfs/dbraw/zinc/13/01/08/573130108.db2.gz FEFHVEKZPIENDA-MRVPVSSYSA-N 2 0 154.257 1.034 10 0 ADAERP [NH3+][C@@H](C1CCCC1)[C@@H]1CCC[NH2+]C1 259340124 573130373 /nfs/dbraw/zinc/13/03/73/573130373.db2.gz LNHPZPMWXRWJKQ-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP C[NH2+][C@H](O)c1ccc2[nH]c(C)nc2c1 259339219 573130503 /nfs/dbraw/zinc/13/05/03/573130503.db2.gz KFZLLSUFEAGKCJ-SNVBAGLBSA-N 2 0 191.234 1.082 10 0 ADAERP C[NH+](C)C(C)(C)[C@@H]([NH3+])C1CC1 85736871 573130552 /nfs/dbraw/zinc/13/05/52/573130552.db2.gz XMKVKXQUSWHUDX-QMMMGPOBSA-N 2 0 156.273 1.064 10 0 ADAERP [NH3+][C@@H](C1CCCC1)[C@H]1CCC[NH2+]C1 259340125 573130575 /nfs/dbraw/zinc/13/05/75/573130575.db2.gz LNHPZPMWXRWJKQ-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)[C@H]([NH3+])C(C)(C)[NH+](C)C 85736945 573130668 /nfs/dbraw/zinc/13/06/68/573130668.db2.gz YVHJQGTWEVJWQU-QMMMGPOBSA-N 2 0 158.289 1.310 10 0 ADAERP CC[N@H+](C[C@@H]1C[C@H]1C[NH3+])CC(C)(C)C 715131319 573130890 /nfs/dbraw/zinc/13/08/90/573130890.db2.gz DXHLZNVXJFZGNG-QWRGUYRKSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C 238283095 573130895 /nfs/dbraw/zinc/13/08/95/573130895.db2.gz AVWUKWOGABVEPK-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@H]([NH3+])[C@@H](F)C1CC[NH+](C)CC1 257951915 573131138 /nfs/dbraw/zinc/13/11/38/573131138.db2.gz WJDQKTQATCJFTB-IONNQARKSA-N 2 0 174.263 1.014 10 0 ADAERP [NH3+]Cc1ccc2cc(C[NH3+])sc2c1 257952694 573131518 /nfs/dbraw/zinc/13/15/18/573131518.db2.gz HDALKTFHLDACKW-UHFFFAOYSA-N 2 0 192.287 1.819 10 0 ADAERP CC[N@H+](C[C@@H]1C[C@@H]1C[NH3+])CC(C)(C)C 715131315 573131523 /nfs/dbraw/zinc/13/15/23/573131523.db2.gz DXHLZNVXJFZGNG-MNOVXSKESA-N 2 0 198.354 1.949 10 0 ADAERP C[C@@H]([NH3+])[C@H](F)C1CC[NH+](C)CC1 257951911 573131938 /nfs/dbraw/zinc/13/19/38/573131938.db2.gz WJDQKTQATCJFTB-APPZFPTMSA-N 2 0 174.263 1.014 10 0 ADAERP CC[N@@H+]1CCC(C)(C)[C@@H](C[NH2+]C)C1 259339822 573132236 /nfs/dbraw/zinc/13/22/36/573132236.db2.gz SGEBNCAIARGGJC-JTQLQIEISA-N 2 0 184.327 1.574 10 0 ADAERP CCC[NH2+]CCC[C@H]1CCC[NH2+]C1 49842975 573132008 /nfs/dbraw/zinc/13/20/08/573132008.db2.gz PQKMHMULJBSUDM-NSHDSACASA-N 2 0 184.327 1.766 10 0 ADAERP C[NH2+][C@@H](O)c1ccc2[nH]c(C)nc2c1 259339215 573132085 /nfs/dbraw/zinc/13/20/85/573132085.db2.gz KFZLLSUFEAGKCJ-JTQLQIEISA-N 2 0 191.234 1.082 10 0 ADAERP CC(C)([C@@H]([NH3+])C1CC1)[NH+]1CCCC1 85740497 573132599 /nfs/dbraw/zinc/13/25/99/573132599.db2.gz YCGIDHBWURIZQI-JTQLQIEISA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+][C@H](c1ccc(C)o1)[C@@H](C)CC[NH3+] 259339209 573132626 /nfs/dbraw/zinc/13/26/26/573132626.db2.gz KFUMXAHSEJHADL-KWQFWETISA-N 2 0 196.294 1.833 10 0 ADAERP C[NH2+][C@H](c1ccc(C)o1)[C@H](C)CC[NH3+] 259339205 573132823 /nfs/dbraw/zinc/13/28/23/573132823.db2.gz KFUMXAHSEJHADL-KCJUWKMLSA-N 2 0 196.294 1.833 10 0 ADAERP [NH3+][C@@H](CC1CC[NH2+]CC1)C1CCCC1 259336939 573132949 /nfs/dbraw/zinc/13/29/49/573132949.db2.gz LJHDECGMHVDOMH-LBPRGKRZSA-N 2 0 196.338 1.894 10 0 ADAERP CC1CCC([C@H](C)N)([NH+](C)C)CC1 85753388 573133792 /nfs/dbraw/zinc/13/37/92/573133792.db2.gz MGDZOAXWYQBWJB-YVNMAJEFSA-N 2 0 184.327 1.844 10 0 ADAERP CC1(C[NH+]2CCC([NH3+])CC2)CCCC1 82625572 573133085 /nfs/dbraw/zinc/13/30/85/573133085.db2.gz DCRJZEDTDSRRLM-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@@H]([NH3+])[C@@H](F)C1CC[NH+](C)CC1 257951917 573133106 /nfs/dbraw/zinc/13/31/06/573133106.db2.gz WJDQKTQATCJFTB-VXNVDRBHSA-N 2 0 174.263 1.014 10 0 ADAERP C[NH+](C)[C@H]1CC[NH2+]C[C@H]1CC1CC1 238299007 573133165 /nfs/dbraw/zinc/13/31/65/573133165.db2.gz MPISYCDIZAQTNM-MNOVXSKESA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]([NH3+])[C@H](F)C1CC[NH+](C)CC1 257951913 573133307 /nfs/dbraw/zinc/13/33/07/573133307.db2.gz WJDQKTQATCJFTB-CBAPKCEASA-N 2 0 174.263 1.014 10 0 ADAERP CC[C@](C)([C@@H](C)[NH2+]C)N(C)C 85746163 573133442 /nfs/dbraw/zinc/13/34/42/573133442.db2.gz GWBOCNCUPDSOSC-RKDXNWHRSA-N 2 0 158.289 1.325 10 0 ADAERP CCC(CC)([C@@H](N)C1CC1)[NH+](C)C 85750719 573133552 /nfs/dbraw/zinc/13/35/52/573133552.db2.gz YSHNFVZWVNFBSU-JTQLQIEISA-N 2 0 184.327 1.844 10 0 ADAERP CC[N@H+](C[C@H]1C[C@H]1C[NH3+])CC(C)(C)C 715131322 573133591 /nfs/dbraw/zinc/13/35/91/573133591.db2.gz DXHLZNVXJFZGNG-WDEREUQCSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 131985632 573133882 /nfs/dbraw/zinc/13/38/82/573133882.db2.gz WCVMBQZFTRIKPJ-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H](C)C(C)(C)[NH+]1CCCC1 85740641 573133720 /nfs/dbraw/zinc/13/37/20/573133720.db2.gz FMYGMIFHEZWWKY-SECBINFHSA-N 2 0 170.300 1.469 10 0 ADAERP CC1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CCCC1 82625585 573133815 /nfs/dbraw/zinc/13/38/15/573133815.db2.gz ZKJKSOKNRXJEHN-NSHDSACASA-N 2 0 196.338 1.847 10 0 ADAERP CC[C@H]([NH3+])[C@@H]1CCC[C@@]1([NH3+])CC 238299094 573133855 /nfs/dbraw/zinc/13/38/55/573133855.db2.gz SEHQVDKSFIHQDK-GUBZILKMSA-N 2 0 170.300 1.631 10 0 ADAERP C[NH2+][C@@H](c1ccc(C)o1)[C@@H](C)CC[NH3+] 259339202 573134203 /nfs/dbraw/zinc/13/42/03/573134203.db2.gz KFUMXAHSEJHADL-GZMMTYOYSA-N 2 0 196.294 1.833 10 0 ADAERP CC[C@@H](N)C1([NH+](C)C)CCCCC1 85753058 573134406 /nfs/dbraw/zinc/13/44/06/573134406.db2.gz AGTGTXBWZBEYPH-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC1(C[N@@H+]2CC[C@H](C[NH3+])C2)CCCC1 82625584 573134517 /nfs/dbraw/zinc/13/45/17/573134517.db2.gz ZKJKSOKNRXJEHN-LLVKDONJSA-N 2 0 196.338 1.847 10 0 ADAERP CC[NH2+][C@H](C)[C@](C)(CC)N(C)C 85746743 573134582 /nfs/dbraw/zinc/13/45/82/573134582.db2.gz JCVHVIHFBVOHSI-ZJUUUORDSA-N 2 0 172.316 1.715 10 0 ADAERP CC[C@](C)([C@H](C)[NH2+]C)N(C)C 85746169 573134760 /nfs/dbraw/zinc/13/47/60/573134760.db2.gz GWBOCNCUPDSOSC-DTWKUNHWSA-N 2 0 158.289 1.325 10 0 ADAERP C[NH2+][C@@H](c1ccc(C)o1)[C@H](C)CC[NH3+] 259339211 573134771 /nfs/dbraw/zinc/13/47/71/573134771.db2.gz KFUMXAHSEJHADL-LDYMZIIASA-N 2 0 196.294 1.833 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+](C)C1 308279062 573136048 /nfs/dbraw/zinc/13/60/48/573136048.db2.gz WHMWYIJBHRPJMC-MXWKQRLJSA-N 2 0 182.311 1.184 10 0 ADAERP CC[C@](C)([C@H](C)N)[NH+]1CCCCC1 85749560 573135291 /nfs/dbraw/zinc/13/52/91/573135291.db2.gz FXKVFIYVEPJKEZ-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP [NH3+][C@H](C1CCCC1)[C@@H]1CCC[NH2+]C1 259340122 573135391 /nfs/dbraw/zinc/13/53/91/573135391.db2.gz LNHPZPMWXRWJKQ-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740506 573135405 /nfs/dbraw/zinc/13/54/05/573135405.db2.gz MFMYQKQHOAYSOB-JTQLQIEISA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@@](C)([C@H](C)N)[NH+]1CCCC1 85748900 573136548 /nfs/dbraw/zinc/13/65/48/573136548.db2.gz HZGCKAGQYOBCCG-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP C[NH+](C)C1([C@H](N)C2CC2)CCCC1 85751915 573135437 /nfs/dbraw/zinc/13/54/37/573135437.db2.gz OVFGQWPEPGZLBO-SNVBAGLBSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C)C1 308279061 573135356 /nfs/dbraw/zinc/13/53/56/573135356.db2.gz WHMWYIJBHRPJMC-GMTAPVOTSA-N 2 0 182.311 1.184 10 0 ADAERP C[NH2+][C@@H](C)C(C)(C)[NH+]1CCCC1 85740638 573135662 /nfs/dbraw/zinc/13/56/62/573135662.db2.gz FMYGMIFHEZWWKY-VIFPVBQESA-N 2 0 170.300 1.469 10 0 ADAERP CC[C@](C)([C@@H](C)N)[NH+]1CCCC1 85748898 573135693 /nfs/dbraw/zinc/13/56/93/573135693.db2.gz HZGCKAGQYOBCCG-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H]([NH2+]C)[C@@](C)(CC)N(C)C 85745993 573135792 /nfs/dbraw/zinc/13/57/92/573135792.db2.gz GSMQEXBVQSMEHC-VHSXEESVSA-N 2 0 172.316 1.715 10 0 ADAERP C[C@@H]1CCC[C@]([C@@H](C)N)([NH+](C)C)C1 85753798 573135899 /nfs/dbraw/zinc/13/58/99/573135899.db2.gz DEZVNEVAZDSXNX-MXWKQRLJSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C)C1 308279068 573135961 /nfs/dbraw/zinc/13/59/61/573135961.db2.gz WHMWYIJBHRPJMC-VWYCJHECSA-N 2 0 182.311 1.184 10 0 ADAERP CCC(CC)([C@H](C)N)[NH+](C)C 85750620 573136052 /nfs/dbraw/zinc/13/60/52/573136052.db2.gz BMJRVURZTXNXKG-QMMMGPOBSA-N 2 0 158.289 1.454 10 0 ADAERP Nc1ccncc1[C@@H]1CCCC[NH2+]1 104660132 573136149 /nfs/dbraw/zinc/13/61/49/573136149.db2.gz YFKZEZGIRYNUJD-JTQLQIEISA-N 2 0 177.251 1.478 10 0 ADAERP C[NH+](C)[C@H]1CC[NH2+]C[C@@H]1CC1CC1 238298986 573136160 /nfs/dbraw/zinc/13/61/60/573136160.db2.gz MPISYCDIZAQTNM-QWRGUYRKSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@](C)([C@@H](C)[NH2+]C)N(C)C 85746161 573136270 /nfs/dbraw/zinc/13/62/70/573136270.db2.gz GWBOCNCUPDSOSC-BDAKNGLRSA-N 2 0 158.289 1.325 10 0 ADAERP CC[C@](C)([C@@H](C)N)[NH+]1CCCCC1 85749556 573136281 /nfs/dbraw/zinc/13/62/81/573136281.db2.gz FXKVFIYVEPJKEZ-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP C1C[NH2+]C[C@@H]([C@H]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 258235635 573136295 /nfs/dbraw/zinc/13/62/95/573136295.db2.gz ZVOGECFEMPLKPB-YFKTTZPYSA-N 2 0 194.322 1.232 10 0 ADAERP C1C[NH2+]C[C@H]([C@H]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 258235632 573136304 /nfs/dbraw/zinc/13/63/04/573136304.db2.gz ZVOGECFEMPLKPB-WISYIIOYSA-N 2 0 194.322 1.232 10 0 ADAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCC(N)=[NH2+] 42607964 573136374 /nfs/dbraw/zinc/13/63/74/573136374.db2.gz LXOGYXNHBSBVHS-UWVGGRQHSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@H](N)C1([NH+](C)C)CCCCCC1 85754141 573136379 /nfs/dbraw/zinc/13/63/79/573136379.db2.gz UNIUKBRUSMBZTD-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CC(C)[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740508 573136395 /nfs/dbraw/zinc/13/63/95/573136395.db2.gz MFMYQKQHOAYSOB-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH+](C)C1([C@@H](N)C2CC2)CCCC1 85751917 573136464 /nfs/dbraw/zinc/13/64/64/573136464.db2.gz OVFGQWPEPGZLBO-JTQLQIEISA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(N)=[NH2+] 42607963 573136554 /nfs/dbraw/zinc/13/65/54/573136554.db2.gz LXOGYXNHBSBVHS-ZJUUUORDSA-N 2 0 197.326 1.823 10 0 ADAERP CC[N@@H+]1CCC=C(CC[C@H](C)[NH3+])C1 258235413 573136651 /nfs/dbraw/zinc/13/66/51/573136651.db2.gz WRLSNZWJMOQDLA-JTQLQIEISA-N 2 0 182.311 1.766 10 0 ADAERP C[NH2+][C@H](C1CC1)C(C)(C)[NH+]1CCCC1 85740725 573136770 /nfs/dbraw/zinc/13/67/70/573136770.db2.gz NYMKAUUANLNEKF-LLVKDONJSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H](N)C1([NH+](C)C)CCCCCC1 85754143 573136727 /nfs/dbraw/zinc/13/67/27/573136727.db2.gz UNIUKBRUSMBZTD-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC[NH2+]CCc1ccc2c(c1)C[NH2+]C2 257955497 573136818 /nfs/dbraw/zinc/13/68/18/573136818.db2.gz CPNBPQZMDVXVKQ-UHFFFAOYSA-N 2 0 190.290 1.442 10 0 ADAERP C[NH2+][C@@H](c1ccccc1)C1(N)CC1 259340498 573136832 /nfs/dbraw/zinc/13/68/32/573136832.db2.gz SNQKAHXLDRYDNM-JTQLQIEISA-N 2 0 176.263 1.438 10 0 ADAERP C[C@H](N)C1([NH+](C)C)CCCC1 85751827 573136888 /nfs/dbraw/zinc/13/68/88/573136888.db2.gz CZJDNNMRCADBMH-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH+](C)C1([C@@H](N)C2CC2)CCCCC1 85753129 573136865 /nfs/dbraw/zinc/13/68/65/573136865.db2.gz LUCUOIMYAOKMRR-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+]C/C=C\C[NH+]1C[C@@H]2CC=CC[C@H]2C1 308507610 573137153 /nfs/dbraw/zinc/13/71/53/573137153.db2.gz GTGNZDMDNONTMZ-WGPFEIJOSA-N 2 0 192.306 1.399 10 0 ADAERP CC[C@H](N)C1([NH+](C)C)CCCCC1 85753056 573137243 /nfs/dbraw/zinc/13/72/43/573137243.db2.gz AGTGTXBWZBEYPH-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CCC(CC)([C@@H](C)N)[NH+](C)C 85750617 573137324 /nfs/dbraw/zinc/13/73/24/573137324.db2.gz BMJRVURZTXNXKG-MRVPVSSYSA-N 2 0 158.289 1.454 10 0 ADAERP C[NH+](C)[C@H](CCC[NH3+])C1CCC1 259340236 573137524 /nfs/dbraw/zinc/13/75/24/573137524.db2.gz FDTPVAJLUWBTFL-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@](C)([C@H](C)N)[NH+]1CCCC1 85748902 573137356 /nfs/dbraw/zinc/13/73/56/573137356.db2.gz HZGCKAGQYOBCCG-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@@H](N)C1([NH+](C)C)CCCC1 85751829 573137502 /nfs/dbraw/zinc/13/75/02/573137502.db2.gz CZJDNNMRCADBMH-MRVPVSSYSA-N 2 0 156.273 1.208 10 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/nfs/dbraw/zinc/13/90/11/573139011.db2.gz JKAJCUCLQRUEGT-MWLCHTKSSA-N 2 0 184.327 1.879 10 0 ADAERP C[NH2+][C@H](c1ccccc1)C1(N)CC1 259340501 573139206 /nfs/dbraw/zinc/13/92/06/573139206.db2.gz SNQKAHXLDRYDNM-SNVBAGLBSA-N 2 0 176.263 1.438 10 0 ADAERP CC[C@H](C[NH3+])[C@H]([NH3+])C1CCCCC1 259340930 573139555 /nfs/dbraw/zinc/13/95/55/573139555.db2.gz JKAJCUCLQRUEGT-KOLCDFICSA-N 2 0 184.327 1.879 10 0 ADAERP Nc1ccncc1[C@H]1CCC[NH2+]1 104660128 573139615 /nfs/dbraw/zinc/13/96/15/573139615.db2.gz LOZJLVACWVBBIR-SECBINFHSA-N 2 0 163.224 1.088 10 0 ADAERP CC[C@@H](C[NH3+])[C@H]([NH3+])C1CCCCC1 259340936 573139759 /nfs/dbraw/zinc/13/97/59/573139759.db2.gz JKAJCUCLQRUEGT-ONGXEEELSA-N 2 0 184.327 1.879 10 0 ADAERP CSCC[NH2+]CCCC[NH+](C)C 128934036 573139841 /nfs/dbraw/zinc/13/98/41/573139841.db2.gz BZJCMKSBPLHERM-UHFFFAOYSA-N 2 0 190.356 1.281 10 0 ADAERP CSCC[NH2+][C@@H](C)CC[NH+](C)C 128914872 573140383 /nfs/dbraw/zinc/14/03/83/573140383.db2.gz IJTOUSRIDKZKNW-VIFPVBQESA-N 2 0 190.356 1.279 10 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259601736 573141183 /nfs/dbraw/zinc/14/11/83/573141183.db2.gz YCBGHMQLJFBORR-BDAKNGLRSA-N 2 0 172.316 1.748 10 0 ADAERP C1CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3[C@@H]2C1 257737462 573141732 /nfs/dbraw/zinc/14/17/32/573141732.db2.gz BKXWAWPSRXEFIX-UTUOFQBUSA-N 2 0 194.322 1.613 10 0 ADAERP CC[NH+](CC)CC1(C[NH2+]C)CCC1 258550026 573141283 /nfs/dbraw/zinc/14/12/83/573141283.db2.gz AIAWTJUREIQQTJ-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP CN(C)[C@H]1C[NH2+]CC[C@H]1CC1CC1 238299690 573141578 /nfs/dbraw/zinc/14/15/78/573141578.db2.gz FDSZBJZRKIBXSH-QWRGUYRKSA-N 2 0 182.311 1.326 10 0 ADAERP C1C[NH2+]C[C@H](C2C[C@@H]3C[NH2+]C[C@H]3C2)C1 258235638 573141579 /nfs/dbraw/zinc/14/15/79/573141579.db2.gz ZVOGECFEMPLKPB-YUSALJHKSA-N 2 0 194.322 1.232 10 0 ADAERP C[NH2+][C@H](CC[C@@H](C)[NH3+])C(C)(C)C 259601746 573141628 /nfs/dbraw/zinc/14/16/28/573141628.db2.gz YCBGHMQLJFBORR-RKDXNWHRSA-N 2 0 172.316 1.748 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H]([NH3+])C1CCCCC1 259340925 573141801 /nfs/dbraw/zinc/14/18/01/573141801.db2.gz JKAJCUCLQRUEGT-GXSJLCMTSA-N 2 0 184.327 1.879 10 0 ADAERP C[C@H]1CC[N@H+](CCCC(N)=[NH2+])C1 40718402 573142562 /nfs/dbraw/zinc/14/25/62/573142562.db2.gz VEFGKFIQULRYMM-QMMMGPOBSA-N 2 0 169.272 1.044 10 0 ADAERP C[NH+](C)[C@@H](CCC[NH3+])C1CCC1 259340233 573142579 /nfs/dbraw/zinc/14/25/79/573142579.db2.gz FDTPVAJLUWBTFL-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP C1C[NH2+][C@@H]2[C@@H](C1)CC[N@@H+]1CCC[C@@H]21 257738177 573143290 /nfs/dbraw/zinc/14/32/90/573143290.db2.gz CBNWYCMAPOWEMT-GARJFASQSA-N 2 0 180.295 1.223 10 0 ADAERP CC[NH2+]C[C@@H]([NH2+]C)C1CCCCC1 225320604 573143402 /nfs/dbraw/zinc/14/34/02/573143402.db2.gz HZCLLUUQMUPEJZ-LLVKDONJSA-N 2 0 184.327 1.764 10 0 ADAERP C1C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]3[C@@H]2C1 257737460 573143439 /nfs/dbraw/zinc/14/34/39/573143439.db2.gz BKXWAWPSRXEFIX-IJLUTSLNSA-N 2 0 194.322 1.613 10 0 ADAERP C1CC[N@@H+]2[C@H](C1)C[C@H]1[NH2+]CCC[C@H]12 257738229 573143482 /nfs/dbraw/zinc/14/34/82/573143482.db2.gz CZDLGLLKSCKRCN-GMTAPVOTSA-N 2 0 180.295 1.365 10 0 ADAERP C1C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3[C@H]2C1 257737373 573143593 /nfs/dbraw/zinc/14/35/93/573143593.db2.gz AJUCZQSPZWDULM-AXFHLTTASA-N 2 0 180.295 1.223 10 0 ADAERP [NH3+]C[C@@H](C[NH2+]C1CC1)C1CCCCC1 258481474 573143670 /nfs/dbraw/zinc/14/36/70/573143670.db2.gz YVNGFLITOWCBHK-NSHDSACASA-N 2 0 196.338 1.894 10 0 ADAERP CCC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](C)C1 308508034 573144102 /nfs/dbraw/zinc/14/41/02/573144102.db2.gz JOTYECLZBWHXNT-NSHDSACASA-N 2 0 198.354 1.964 10 0 ADAERP C1C[NH2+][C@H]2C[C@H]3CCCC[N@H+]3[C@H]2C1 257738231 573144515 /nfs/dbraw/zinc/14/45/15/573144515.db2.gz CZDLGLLKSCKRCN-VWYCJHECSA-N 2 0 180.295 1.365 10 0 ADAERP C[C@@H]1CC[N@H+](CCCC(N)=[NH2+])C1 40718401 573144563 /nfs/dbraw/zinc/14/45/63/573144563.db2.gz VEFGKFIQULRYMM-MRVPVSSYSA-N 2 0 169.272 1.044 10 0 ADAERP CC[N@@H+]1CC[C@H](CC[NH3+])C(C)(C)C1 259346515 573144573 /nfs/dbraw/zinc/14/45/73/573144573.db2.gz SUEUPFLIMOXZJP-JTQLQIEISA-N 2 0 184.327 1.703 10 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573145033 /nfs/dbraw/zinc/14/50/33/573145033.db2.gz BKXWAWPSRXEFIX-QJPTWQEYSA-N 2 0 194.322 1.613 10 0 ADAERP C[NH2+]Cc1occc1C[NH+]1CC=CC1 308503211 573145101 /nfs/dbraw/zinc/14/51/01/573145101.db2.gz BMWHAPSEPZPJQS-UHFFFAOYSA-N 2 0 192.262 1.371 10 0 ADAERP C1CC[N@@H+]2[C@H](C1)C[C@@H]1[NH2+]CCC[C@H]12 257738230 573145228 /nfs/dbraw/zinc/14/52/28/573145228.db2.gz CZDLGLLKSCKRCN-OUAUKWLOSA-N 2 0 180.295 1.365 10 0 ADAERP C[NH2+][C@H](C)C1CC[NH+](C(C)C)CC1 82646748 573145231 /nfs/dbraw/zinc/14/52/31/573145231.db2.gz LBYMRWDJEFCWPX-SNVBAGLBSA-N 2 0 184.327 1.715 10 0 ADAERP CC[C@@H]([NH3+])C[C@H]1CCCC[NH2+]1 238290369 573145327 /nfs/dbraw/zinc/14/53/27/573145327.db2.gz MAUJJDMNCSGNBX-RKDXNWHRSA-N 2 0 156.273 1.256 10 0 ADAERP C1C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3[C@@H]2C1 257737376 573145418 /nfs/dbraw/zinc/14/54/18/573145418.db2.gz AJUCZQSPZWDULM-MXWKQRLJSA-N 2 0 180.295 1.223 10 0 ADAERP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C2CCCC2)C1 82645510 573145503 /nfs/dbraw/zinc/14/55/03/573145503.db2.gz MWYQJXYVPDQRNH-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+]C[C@H](C[NH2+]C1CC1)C1CCCCC1 258481471 573146043 /nfs/dbraw/zinc/14/60/43/573146043.db2.gz YVNGFLITOWCBHK-LLVKDONJSA-N 2 0 196.338 1.894 10 0 ADAERP C[NH2+][C@H](c1cc[nH]c1)C1CC[NH2+]CC1 259344136 573146089 /nfs/dbraw/zinc/14/60/89/573146089.db2.gz KMIJZTXUMUWRSB-NSHDSACASA-N 2 0 193.294 1.275 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)C1CC[NH2+]CC1 259344132 573146166 /nfs/dbraw/zinc/14/61/66/573146166.db2.gz KMIJZTXUMUWRSB-LLVKDONJSA-N 2 0 193.294 1.275 10 0 ADAERP CC[C@@H]([NH3+])c1cncc2c1NCCO2 238291179 573146190 /nfs/dbraw/zinc/14/61/90/573146190.db2.gz LFXDCXTXEZHYGD-MRVPVSSYSA-N 2 0 193.250 1.296 10 0 ADAERP C[NH2+][C@H](c1ccc(C)cc1)C1(N)CC1 259342999 573146196 /nfs/dbraw/zinc/14/61/96/573146196.db2.gz SPGZUGOBKUJOFF-LLVKDONJSA-N 2 0 190.290 1.747 10 0 ADAERP CC(C)([NH3+])CC[NH2+]CCC(C)(F)F 393658359 573146487 /nfs/dbraw/zinc/14/64/87/573146487.db2.gz WFXMSLUAFNMCBA-UHFFFAOYSA-N 2 0 194.269 1.749 10 0 ADAERP C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C(C)C)C1 82646506 573147126 /nfs/dbraw/zinc/14/71/26/573147126.db2.gz KYBRDSZBNFVKED-MNOVXSKESA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C(C)C)C1 82646507 573147210 /nfs/dbraw/zinc/14/72/10/573147210.db2.gz KYBRDSZBNFVKED-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@@H](c1ccc(C)cc1)C1(N)CC1 259343002 573147399 /nfs/dbraw/zinc/14/73/99/573147399.db2.gz SPGZUGOBKUJOFF-NSHDSACASA-N 2 0 190.290 1.747 10 0 ADAERP C[NH2+][C@H](CN(C)C)[C@H]1CCC[C@@H](C)C1 85798715 573147512 /nfs/dbraw/zinc/14/75/12/573147512.db2.gz XVNLPHFJXUSRKT-GRYCIOLGSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C2CCCC2)C1 82645508 573147492 /nfs/dbraw/zinc/14/74/92/573147492.db2.gz MWYQJXYVPDQRNH-WDEREUQCSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H](CC[NH+](CC)CC)[NH2+]C 85795481 573148502 /nfs/dbraw/zinc/14/85/02/573148502.db2.gz DIOFICFEOHHURW-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP CC(C)C[C@@H]([NH3+])C1(C[NH3+])CCC1 259343537 573148462 /nfs/dbraw/zinc/14/84/62/573148462.db2.gz JLICZMRBZKTQPU-SECBINFHSA-N 2 0 170.300 1.489 10 0 ADAERP CC(C)C[C@H]([NH3+])C1(C[NH3+])CCC1 259343538 573149122 /nfs/dbraw/zinc/14/91/22/573149122.db2.gz JLICZMRBZKTQPU-VIFPVBQESA-N 2 0 170.300 1.489 10 0 ADAERP CCC[NH2+]CC(C)(C)C[NH+]1CC=CC1 308504041 573149268 /nfs/dbraw/zinc/14/92/68/573149268.db2.gz CKKYVJXNEJFXAY-UHFFFAOYSA-N 2 0 196.338 1.884 10 0 ADAERP CC[N@@H+]1CC[C@@H](CC[NH3+])C(C)(C)C1 259346517 573149475 /nfs/dbraw/zinc/14/94/75/573149475.db2.gz SUEUPFLIMOXZJP-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C[N@@H+]1CC[C@@H](CC[NH2+]CC2(C)CC2)C1 308504132 573149698 /nfs/dbraw/zinc/14/96/98/573149698.db2.gz HXDFQMDWBGWGBJ-LLVKDONJSA-N 2 0 196.338 1.718 10 0 ADAERP CC[N@H+](C1CC1)[C@H]1CCC[NH2+]CC1 82666658 573149891 /nfs/dbraw/zinc/14/98/91/573149891.db2.gz XEJHQGCTJVNELV-JTQLQIEISA-N 2 0 182.311 1.613 10 0 ADAERP C[NH2+]CC1(C[NH+]2CCCCCC2)CC1 258551731 573150165 /nfs/dbraw/zinc/15/01/65/573150165.db2.gz ANUHIGGSFITNSD-UHFFFAOYSA-N 2 0 196.338 1.862 10 0 ADAERP CC[C@H](C)[NH2+]CC1(C[NH2+]C)CC1 258551728 573150186 /nfs/dbraw/zinc/15/01/86/573150186.db2.gz ANRPBHHWVFSOBS-VIFPVBQESA-N 2 0 170.300 1.374 10 0 ADAERP C[NH2+]CC1([C@@H]([NH2+]C)c2cc[nH]c2)CC1 259601829 573150367 /nfs/dbraw/zinc/15/03/67/573150367.db2.gz YCOGXNDUDNJHQZ-JTQLQIEISA-N 2 0 193.294 1.275 10 0 ADAERP C[NH2+]Cc1cc(C[NH3+])ccc1F 258552505 573150434 /nfs/dbraw/zinc/15/04/34/573150434.db2.gz PMBSDZQNYMGBKZ-UHFFFAOYSA-N 2 0 168.215 1.004 10 0 ADAERP C[N@@H+]1CC[C@H](CC[NH2+]CC2(C)CC2)C1 308504133 573150544 /nfs/dbraw/zinc/15/05/44/573150544.db2.gz HXDFQMDWBGWGBJ-NSHDSACASA-N 2 0 196.338 1.718 10 0 ADAERP C[NH2+]CC1(C[NH2+]C2CC2)CCC1 258551714 573150664 /nfs/dbraw/zinc/15/06/64/573150664.db2.gz ANAKNIQDIIFAHU-UHFFFAOYSA-N 2 0 168.284 1.128 10 0 ADAERP CC(C)[N@H+](C)[C@H]1CCC[NH2+]CC1 82666613 573150755 /nfs/dbraw/zinc/15/07/55/573150755.db2.gz HOVRJQFXFWXPOO-JTQLQIEISA-N 2 0 170.300 1.469 10 0 ADAERP [NH3+]CC1([C@@H]([NH3+])c2ccccc2)CCC1 259348147 573151374 /nfs/dbraw/zinc/15/13/74/573151374.db2.gz JQXZELYGBJFURV-NSHDSACASA-N 2 0 190.290 1.815 10 0 ADAERP CC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 82666652 573151377 /nfs/dbraw/zinc/15/13/77/573151377.db2.gz ANWBFXXSXFBPIR-NSHDSACASA-N 2 0 184.327 1.859 10 0 ADAERP C[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 82666590 573151501 /nfs/dbraw/zinc/15/15/01/573151501.db2.gz BCCWTAXNYLULHF-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP C[NH+](C)[C@@H]1CCC[C@@H](C2(C[NH3+])CC2)C1 238291868 573152520 /nfs/dbraw/zinc/15/25/20/573152520.db2.gz YNKRICRGLGSYLS-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 308504070 573151693 /nfs/dbraw/zinc/15/16/93/573151693.db2.gz CNGRGJFDQJGNQB-WOPDTQHZSA-N 2 0 198.354 1.948 10 0 ADAERP CC[N@H+](C1CC1)[C@@H]1CCC[NH2+]CC1 82666657 573152013 /nfs/dbraw/zinc/15/20/13/573152013.db2.gz XEJHQGCTJVNELV-SNVBAGLBSA-N 2 0 182.311 1.613 10 0 ADAERP 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0 180.295 1.223 10 0 ADAERP CC[C@H](C[NH3+])C[C@H]1CCC[N@H+](C)C1 259356736 573178367 /nfs/dbraw/zinc/17/83/67/573178367.db2.gz MFBLJGJBFYNQBJ-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@]1(C)C[NH2+][C@@H]1CC12CC2 715582556 573178392 /nfs/dbraw/zinc/17/83/92/573178392.db2.gz ATVSSABUZUNMJL-MXWKQRLJSA-N 2 0 194.322 1.374 10 0 ADAERP COc1ccc(C)cc1[C@H]([NH3+])CC[NH3+] 259356845 573178393 /nfs/dbraw/zinc/17/83/93/573178393.db2.gz MFQRRURMVMTYJU-SNVBAGLBSA-N 2 0 194.278 1.352 10 0 ADAERP C[C@@H]1C[NH2+]C[C@]1(C)C[NH2+][C@H]1CC12CC2 715582559 573178408 /nfs/dbraw/zinc/17/84/08/573178408.db2.gz ATVSSABUZUNMJL-OUAUKWLOSA-N 2 0 194.322 1.374 10 0 ADAERP C[NH+](C)CC[C@@]1(C)CCCC[NH2+]1 257959992 573178429 /nfs/dbraw/zinc/17/84/29/573178429.db2.gz GUIQIZWTXCDGRR-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP COc1ccc(C)cc1[C@@H]([NH3+])CC[NH3+] 259356840 573178464 /nfs/dbraw/zinc/17/84/64/573178464.db2.gz MFQRRURMVMTYJU-JTQLQIEISA-N 2 0 194.278 1.352 10 0 ADAERP [NH3+][C@H]1CC[C@@](F)(C[NH+]2CCCC2)C1 257963781 573178578 /nfs/dbraw/zinc/17/85/78/573178578.db2.gz XQPVWVHKVFWLTK-UWVGGRQHSA-N 2 0 186.274 1.302 10 0 ADAERP CC(=[NH2+])N1CCN(C2CC2)C[C@H]1C 402492676 573178608 /nfs/dbraw/zinc/17/86/08/573178608.db2.gz CDTIROIQLUEXII-MRVPVSSYSA-N 2 0 181.283 1.152 10 0 ADAERP CC[C@H](C[NH3+])C[C@@H]1CCC[N@H+](C)C1 259356733 573178795 /nfs/dbraw/zinc/17/87/95/573178795.db2.gz MFBLJGJBFYNQBJ-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@@H](C[NH3+])C[C@@H]1CCC[N@H+](C)C1 259356730 573179377 /nfs/dbraw/zinc/17/93/77/573179377.db2.gz MFBLJGJBFYNQBJ-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP CC[C@@H](C[NH3+])C[C@H]1CCC[N@H+](C)C1 259356727 573179443 /nfs/dbraw/zinc/17/94/43/573179443.db2.gz MFBLJGJBFYNQBJ-GHMZBOCLSA-N 2 0 184.327 1.703 10 0 ADAERP CC(=[NH2+])N1CCN(C2CC2)C[C@@H]1C 402492677 573179755 /nfs/dbraw/zinc/17/97/55/573179755.db2.gz CDTIROIQLUEXII-QMMMGPOBSA-N 2 0 181.283 1.152 10 0 ADAERP CNC[C@H](C)[NH2+]CC[C@@H]1C=CCC1 128979173 573179973 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MLCQONACWQIWKI-DSAQSWLYSA-N 2 0 168.284 1.241 10 0 ADAERP C[NH2+][C@H](c1cc[nH]c1)[C@@H](C[NH3+])C(C)C 259357644 573180225 /nfs/dbraw/zinc/18/02/25/573180225.db2.gz UFOYRLMRQGHTFP-WDEREUQCSA-N 2 0 195.310 1.506 10 0 ADAERP CC[C@]1(C)[NH2+]CCCN1C(C)C 238306537 573180806 /nfs/dbraw/zinc/18/08/06/573180806.db2.gz DEZFNHUAZWOJMU-SNVBAGLBSA-N 2 0 170.300 1.816 10 0 ADAERP [NH3+]C1(c2cscc2C2([NH3+])CC2)CC1 104680270 573180376 /nfs/dbraw/zinc/18/03/76/573180376.db2.gz UPQXQVSODILOTB-UHFFFAOYSA-N 2 0 194.303 1.644 10 0 ADAERP C[C@@H]1CC[C@H]2C[NH2+]CC[C@H]2[N@@H+]1C 251587503 573180511 /nfs/dbraw/zinc/18/05/11/573180511.db2.gz CEUNHBLRICLKKZ-KXUCPTDWSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)=CC[C@H]([NH3+])C[NH2+][C@@H]1CC12CC2 715586162 573180567 /nfs/dbraw/zinc/18/05/67/573180567.db2.gz WXMIEXWPVGUODJ-WDEREUQCSA-N 2 0 194.322 1.812 10 0 ADAERP [NH3+][C@H]1CCCC2CCC[C@H]([NH3+])C21 115322267 573180796 /nfs/dbraw/zinc/18/07/96/573180796.db2.gz MLCQONACWQIWKI-ZNHWEVIXSA-N 2 0 168.284 1.241 10 0 ADAERP [NH3+][C@@H]1CC[C@@](F)(C[NH+]2CCCC2)C1 257963788 573180754 /nfs/dbraw/zinc/18/07/54/573180754.db2.gz XQPVWVHKVFWLTK-ZJUUUORDSA-N 2 0 186.274 1.302 10 0 ADAERP C[NH2+][C@H](c1cc[nH]c1)[C@H](C[NH3+])C(C)C 259357628 573180844 /nfs/dbraw/zinc/18/08/44/573180844.db2.gz UFOYRLMRQGHTFP-GHMZBOCLSA-N 2 0 195.310 1.506 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1CCC(C)(C)[NH3+] 82773018 573180850 /nfs/dbraw/zinc/18/08/50/573180850.db2.gz XYHCLAJGWRUORX-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP F[C@]1(C[NH2+]C2CCCC2)CC[NH2+]C1 257962308 573180876 /nfs/dbraw/zinc/18/08/76/573180876.db2.gz XPKWAHWFFNPZQZ-SNVBAGLBSA-N 2 0 186.274 1.220 10 0 ADAERP CCC[NH2+]C[C@H](CC)N1CC=CC1 308294898 573181057 /nfs/dbraw/zinc/18/10/57/573181057.db2.gz SHVDXHCQXVZFOG-NSHDSACASA-N 2 0 182.311 1.636 10 0 ADAERP C[C@H](c1csc(C[NH3+])c1)[NH+](C)C 257962154 573181122 /nfs/dbraw/zinc/18/11/22/573181122.db2.gz XMONIJKAZBWUSM-SSDOTTSWSA-N 2 0 184.308 1.829 10 0 ADAERP C[C@@H]1CC[N@H+](CCC(C)(C)[NH3+])C1 82773092 573181164 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ADAERP CN1CCC[C@H]2CCC(C)(C)[NH2+][C@@H]21 238305649 573181845 /nfs/dbraw/zinc/18/18/45/573181845.db2.gz NOXCQSOJQKDCMJ-VHSXEESVSA-N 2 0 182.311 1.816 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)[C@H](C[NH3+])C(C)C 259357635 573181888 /nfs/dbraw/zinc/18/18/88/573181888.db2.gz UFOYRLMRQGHTFP-MNOVXSKESA-N 2 0 195.310 1.506 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CCC(C)(C)[NH3+] 82773012 573181985 /nfs/dbraw/zinc/18/19/85/573181985.db2.gz CTUHSDPKEGFTEP-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H](C)C[N@H+](CC)C[C@@H]1C[C@@H]1C[NH3+] 715134152 573181994 /nfs/dbraw/zinc/18/19/94/573181994.db2.gz VFQYRRKYTLOMAA-TUAOUCFPSA-N 2 0 198.354 1.949 10 0 ADAERP C[C@H]([NH3+])[C@@](C)(F)[C@@H]1CCC[NH2+]C1 257960729 573182035 /nfs/dbraw/zinc/18/20/35/573182035.db2.gz XHKJHOABKNBHFG-DJLDLDEBSA-N 2 0 174.263 1.061 10 0 ADAERP CC(C)[C@H](C)[C@@H](CN)[NH2+]CC1CC1 308295414 573182843 /nfs/dbraw/zinc/18/28/43/573182843.db2.gz ULLJSUYSSWCCAS-GXSJLCMTSA-N 2 0 184.327 1.605 10 0 ADAERP 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/nfs/dbraw/zinc/21/04/61/573210461.db2.gz BXLGASYEIRSNOH-IUCAKERBSA-N 2 0 193.294 1.813 10 0 ADAERP Cc1cc[nH+]c(N)c1[C@H](C)C[C@@H](C)[NH3+] 82808078 573210499 /nfs/dbraw/zinc/21/04/99/573210499.db2.gz BXLGASYEIRSNOH-RKDXNWHRSA-N 2 0 193.294 1.813 10 0 ADAERP CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])CC1(C)C 259376667 573210566 /nfs/dbraw/zinc/21/05/66/573210566.db2.gz LAUCCYHBLSKGMH-UWVGGRQHSA-N 2 0 184.327 1.844 10 0 ADAERP CCC1(C[NH2+]C[C@@H](C)[NH3+])CCC1 232968823 573210630 /nfs/dbraw/zinc/21/06/30/573210630.db2.gz ARSIVQMWMOHWTK-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP C[NH2+]C1CCC([C@H]([NH3+])C(C)C)CC1 259372892 573210715 /nfs/dbraw/zinc/21/07/15/573210715.db2.gz MVYZNBMTJVMMDT-VQXHTEKXSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])CC1(C)C 259376670 573210941 /nfs/dbraw/zinc/21/09/41/573210941.db2.gz LAUCCYHBLSKGMH-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH+]1CCC([C@]2(C)C[C@@H]2[NH3+])CC1 259376306 573211021 /nfs/dbraw/zinc/21/10/21/573211021.db2.gz QUCZPLWUPZVEQY-UWVGGRQHSA-N 2 0 168.284 1.066 10 0 ADAERP Cc1cc[nH+]c(N)c1[C@@H](C)C[C@@H](C)[NH3+] 82808076 573211246 /nfs/dbraw/zinc/21/12/46/573211246.db2.gz BXLGASYEIRSNOH-DTWKUNHWSA-N 2 0 193.294 1.813 10 0 ADAERP CC(C)([NH3+])c1cccc(C(C)(C)[NH3+])n1 115719573 573211366 /nfs/dbraw/zinc/21/13/66/573211366.db2.gz PXFOCZRTENWLFG-UHFFFAOYSA-N 2 0 193.294 1.469 10 0 ADAERP C[NH2+]CC[C@H]([NH2+]C)c1ccc(F)cc1 259603589 573213772 /nfs/dbraw/zinc/21/37/72/573213772.db2.gz XDFZYKVTDWTGRZ-NSHDSACASA-N 2 0 196.269 1.696 10 0 ADAERP C[NH2+][C@@H](C[C@H](C)[NH3+])c1ccc(C)cc1 259603615 573214002 /nfs/dbraw/zinc/21/40/02/573214002.db2.gz XDKWBVSPMMLDHD-JQWIXIFHSA-N 2 0 192.306 1.993 10 0 ADAERP C[NH2+][C@@H](C[C@@H](C)[NH3+])c1ccc(C)cc1 259603619 573214160 /nfs/dbraw/zinc/21/41/60/573214160.db2.gz XDKWBVSPMMLDHD-PWSUYJOCSA-N 2 0 192.306 1.993 10 0 ADAERP CN[C@H](c1ccc(F)cc1)C(C)(C)[NH3+] 259377830 573214162 /nfs/dbraw/zinc/21/41/62/573214162.db2.gz KWUSGPPWMHLELB-SNVBAGLBSA-N 2 0 196.269 1.824 10 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238307767 573215869 /nfs/dbraw/zinc/21/58/69/573215869.db2.gz ZQCSMQFOUDZHGX-UTINFBMNSA-N 2 0 170.300 1.487 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC2(F)F)C1 717277738 573215881 /nfs/dbraw/zinc/21/58/81/573215881.db2.gz OVACBKWRMULPFQ-XLPZGREQSA-N 2 0 190.237 1.111 10 0 ADAERP [NH3+]C1CC([C@H]([NH3+])C2CCCC2)C1 259379242 573215984 /nfs/dbraw/zinc/21/59/84/573215984.db2.gz NCTGTAHFYAFBDU-UDNWOFFPSA-N 2 0 168.284 1.241 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[C@@H]1CCC[NH2+]C1 259377247 573216011 /nfs/dbraw/zinc/21/60/11/573216011.db2.gz NAPADDUPSPTATC-WDEREUQCSA-N 2 0 184.327 1.750 10 0 ADAERP C[N@@H+]1CCC[C@H](C(C)(C)CC[NH3+])C1 259378485 573216312 /nfs/dbraw/zinc/21/63/12/573216312.db2.gz VQUQODJTOVOSDN-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[C@H]([NH3+])C[C@@H]1CCC[NH2+]C1 259377246 573216538 /nfs/dbraw/zinc/21/65/38/573216538.db2.gz NAPADDUPSPTATC-QWRGUYRKSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)C[C@H]([NH3+])C[C@H]1CCC[NH2+]C1 259377243 573216546 /nfs/dbraw/zinc/21/65/46/573216546.db2.gz NAPADDUPSPTATC-MNOVXSKESA-N 2 0 184.327 1.750 10 0 ADAERP C[NH2+]CC[C@@H]([NH2+]C)c1ccccc1C 259377785 573217686 /nfs/dbraw/zinc/21/76/86/573217686.db2.gz KVYXDEBDECFMGI-GFCCVEGCSA-N 2 0 192.306 1.865 10 0 ADAERP C[NH+](C)[C@H](CCC[NH3+])c1ccncc1 259377970 573217702 /nfs/dbraw/zinc/21/77/02/573217702.db2.gz GMGTYFGZBKSOKK-LLVKDONJSA-N 2 0 193.294 1.423 10 0 ADAERP CC(C)C[C@H](C1CC[NH2+]CC1)[NH+](C)C 259378193 573217904 /nfs/dbraw/zinc/21/79/04/573217904.db2.gz GNMYMMLWSBHGDJ-GFCCVEGCSA-N 2 0 198.354 1.962 10 0 ADAERP CC[N@H+](C)C[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82832510 573218594 /nfs/dbraw/zinc/21/85/94/573218594.db2.gz WDHHAMJANANJQI-QCNOEVLYSA-N 2 0 198.354 1.948 10 0 ADAERP CC[C@H]([NH3+])[C@H]1CCC[C@@]1([NH3+])CC 238307667 573218691 /nfs/dbraw/zinc/21/86/91/573218691.db2.gz SEHQVDKSFIHQDK-UTLUCORTSA-N 2 0 170.300 1.631 10 0 ADAERP C[C@H]1CCC[NH2+][C@@H]1C[NH2+]C(C)(C)C 235549044 573220484 /nfs/dbraw/zinc/22/04/84/573220484.db2.gz 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1.558 10 0 ADAERP C[C@@H](C[NH3+])[C@@H]([NH3+])c1ccc(Cl)cc1 259379341 573220213 /nfs/dbraw/zinc/22/02/13/573220213.db2.gz NDMSGAJACZBZGG-OIBJUYFYSA-N 2 0 198.697 1.935 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H]([NH2+]C)C(C)C 259382352 573220258 /nfs/dbraw/zinc/22/02/58/573220258.db2.gz VWKJCJGRSLCVMM-MNOVXSKESA-N 2 0 186.343 1.722 10 0 ADAERP CC[C@H](C[NH2+]C)C[NH2+]C(C)C 258592772 573220265 /nfs/dbraw/zinc/22/02/65/573220265.db2.gz GNBMOKORMMZYKO-SECBINFHSA-N 2 0 158.289 1.230 10 0 ADAERP CC[NH+]1CCC([C@H]2[NH2+][C@@H](C)CO2)CC1 258487586 573220457 /nfs/dbraw/zinc/22/04/57/573220457.db2.gz LNDCYFABRLYYGA-ONGXEEELSA-N 2 0 198.310 1.053 10 0 ADAERP C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1C[NH+](C)C 82832486 573220465 /nfs/dbraw/zinc/22/04/65/573220465.db2.gz IICMGKAOFSFFED-WISYIIOYSA-N 2 0 198.354 1.818 10 0 ADAERP C[NH2+][C@@H]([C@H]1CCC[NH2+]C1)C(C)(C)C 259382841 573220476 /nfs/dbraw/zinc/22/04/76/573220476.db2.gz LZLCTCDVXXSXKQ-UWVGGRQHSA-N 2 0 184.327 1.620 10 0 ADAERP 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/nfs/dbraw/zinc/27/89/25/573278925.db2.gz FRFZVAYLXRIXAU-SNVBAGLBSA-N 2 0 176.263 1.222 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1/C=C\CC[NH3+] 258276084 573278942 /nfs/dbraw/zinc/27/89/42/573278942.db2.gz SGVVUCGSKDNYPP-UUSYTGMJSA-N 2 0 182.311 1.764 10 0 ADAERP C[NH2+]CC1(C[NH+]2CCCCC2)CCC1 258616899 573279674 /nfs/dbraw/zinc/27/96/74/573279674.db2.gz IZJOUYCOQXYVCD-UHFFFAOYSA-N 2 0 196.338 1.862 10 0 ADAERP [NH3+][C@H]1CCCC[C@@H]1C[NH2+]C1CC1 82922254 573280021 /nfs/dbraw/zinc/28/00/21/573280021.db2.gz ABDHLKOCOYXCQF-SCZZXKLOSA-N 2 0 168.284 1.256 10 0 ADAERP CC[NH2+]C[C@H]1CCCC[C@H]1[NH3+] 82922287 573280141 /nfs/dbraw/zinc/28/01/41/573280141.db2.gz FMYWIFWBESETIW-RKDXNWHRSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1C[NH2+]C1CCCC1 82922275 573280187 /nfs/dbraw/zinc/28/01/87/573280187.db2.gz OGLBWFXIGVUQCC-MWLCHTKSSA-N 2 0 182.311 1.646 10 0 ADAERP C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 82923293 573280219 /nfs/dbraw/zinc/28/02/19/573280219.db2.gz BGGBOYHUVVCZDO-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922460 573280359 /nfs/dbraw/zinc/28/03/59/573280359.db2.gz OFIRKVXKWCLJID-KATARQTJSA-N 2 0 168.284 1.112 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C1 129420128 573280527 /nfs/dbraw/zinc/28/05/27/573280527.db2.gz FFLZPGHFURTASU-NXEZZACHSA-N 2 0 184.327 1.763 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCCC[C@H]1[NH3+] 82922231 573280594 /nfs/dbraw/zinc/28/05/94/573280594.db2.gz QRZPLWJHGABAGD-NXEZZACHSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1C[NH2+]C1CCCC1 82922273 573280619 /nfs/dbraw/zinc/28/06/19/573280619.db2.gz OGLBWFXIGVUQCC-KOLCDFICSA-N 2 0 182.311 1.646 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1C[NH2+]C1CCC1 82922453 573280659 /nfs/dbraw/zinc/28/06/59/573280659.db2.gz JCCAVNYSBHOIPJ-SCZZXKLOSA-N 2 0 168.284 1.256 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](C)C1 129398270 573280684 /nfs/dbraw/zinc/28/06/84/573280684.db2.gz KZTNENRYHDNSBZ-DCAQKATOSA-N 2 0 184.327 1.892 10 0 ADAERP C1CCC([N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923129 573280685 /nfs/dbraw/zinc/28/06/85/573280685.db2.gz ATLFZSNCEIBCDK-GXSJLCMTSA-N 2 0 180.295 1.223 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1C[NH2+]C1CCCC1 82922274 573280706 /nfs/dbraw/zinc/28/07/06/573280706.db2.gz OGLBWFXIGVUQCC-GXSJLCMTSA-N 2 0 182.311 1.646 10 0 ADAERP [NH3+][C@@H]1CCCC[C@@H]1C[NH2+]C1CC1 82922255 573281346 /nfs/dbraw/zinc/28/13/46/573281346.db2.gz ABDHLKOCOYXCQF-PSASIEDQSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCC[C@H]1[NH3+] 82922234 573282354 /nfs/dbraw/zinc/28/23/54/573282354.db2.gz KNMDMVMQBAVXFK-DTWKUNHWSA-N 2 0 156.273 1.112 10 0 ADAERP CCC[NH2+]C[C@H]1CCC[C@H]1[NH3+] 82922219 573282143 /nfs/dbraw/zinc/28/21/43/573282143.db2.gz FDLYHTUXBJCCPL-RKDXNWHRSA-N 2 0 156.273 1.113 10 0 ADAERP CCC[NH2+]C[C@@H]1CCC[C@H]1[NH3+] 82922218 573282199 /nfs/dbraw/zinc/28/21/99/573282199.db2.gz FDLYHTUXBJCCPL-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP CC(C)[C@H](C[NH3+])C[C@@H]1CC[N@H+](C)C1 259402261 573282201 /nfs/dbraw/zinc/28/22/01/573282201.db2.gz OEQCHMVBYIPCDV-QWRGUYRKSA-N 2 0 184.327 1.559 10 0 ADAERP [NH3+]Cc1ccc2oc(C[NH3+])cc2c1 257992493 573282343 /nfs/dbraw/zinc/28/23/43/573282343.db2.gz KIYVPJYCRHEZJA-UHFFFAOYSA-N 2 0 176.219 1.350 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 82922233 573282366 /nfs/dbraw/zinc/28/23/66/573282366.db2.gz KNMDMVMQBAVXFK-BDAKNGLRSA-N 2 0 156.273 1.112 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1C[NH2+]C1CCCC1 82922272 573282395 /nfs/dbraw/zinc/28/23/95/573282395.db2.gz OGLBWFXIGVUQCC-ONGXEEELSA-N 2 0 182.311 1.646 10 0 ADAERP C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 82923294 573282414 /nfs/dbraw/zinc/28/24/14/573282414.db2.gz BGGBOYHUVVCZDO-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+][C@@H]1CCCC[C@H]1C[NH2+]C1CCC1 82922449 573282570 /nfs/dbraw/zinc/28/25/70/573282570.db2.gz AESTTYWVRHKIMG-GXSJLCMTSA-N 2 0 182.311 1.646 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](c2ccccc2)C1 238333021 573282760 /nfs/dbraw/zinc/28/27/60/573282760.db2.gz SAZLRTLSQAZLSR-NEPJUHHUSA-N 2 0 190.290 1.433 10 0 ADAERP [NH3+][C@H]1CCCC[C@H]1C[NH2+]C1CC1 82922252 573282791 /nfs/dbraw/zinc/28/27/91/573282791.db2.gz ABDHLKOCOYXCQF-WPRPVWTQSA-N 2 0 168.284 1.256 10 0 ADAERP C[NH2+]C[C@@H](C)Oc1cc(C)[nH+]c(C)c1 308539606 573283476 /nfs/dbraw/zinc/28/34/76/573283476.db2.gz MIYVYCPRYBSNAQ-SNVBAGLBSA-N 2 0 194.278 1.685 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1[NH3+] 82922230 573282856 /nfs/dbraw/zinc/28/28/56/573282856.db2.gz QRZPLWJHGABAGD-VHSXEESVSA-N 2 0 170.300 1.502 10 0 ADAERP C1CCC([N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 82923142 573282937 /nfs/dbraw/zinc/28/29/37/573282937.db2.gz NUMQHHWDZPWMDC-CMPLNLGQSA-N 2 0 194.322 1.613 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1C[NH2+]C1CCC1 82922452 573282971 /nfs/dbraw/zinc/28/29/71/573282971.db2.gz JCCAVNYSBHOIPJ-WPRPVWTQSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCC[C@H]1[NH3+] 82922235 573283075 /nfs/dbraw/zinc/28/30/75/573283075.db2.gz KNMDMVMQBAVXFK-RKDXNWHRSA-N 2 0 156.273 1.112 10 0 ADAERP [NH3+][C@H]1CCCC[C@@H]1C[NH2+]C1CCC1 82922450 573283094 /nfs/dbraw/zinc/28/30/94/573283094.db2.gz AESTTYWVRHKIMG-KOLCDFICSA-N 2 0 182.311 1.646 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+][C@H]1CC[C@@H](C)C1 129419657 573283099 /nfs/dbraw/zinc/28/30/99/573283099.db2.gz FFLZPGHFURTASU-ZJUUUORDSA-N 2 0 184.327 1.763 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1[NH3+] 82922420 573283164 /nfs/dbraw/zinc/28/31/64/573283164.db2.gz BHOZLIVMTBDRSM-GUBZILKMSA-N 2 0 182.311 1.502 10 0 ADAERP [NH3+][C@@H]1CCCC[C@H]1C[NH2+]C1CC1 82922253 573283207 /nfs/dbraw/zinc/28/32/07/573283207.db2.gz ABDHLKOCOYXCQF-WCBMZHEXSA-N 2 0 168.284 1.256 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1[NH3+] 82922418 573283223 /nfs/dbraw/zinc/28/32/23/573283223.db2.gz CEBYUUSYXQXVFK-VWYCJHECSA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CCC[C@H]1[NH3+] 82922226 573283290 /nfs/dbraw/zinc/28/32/90/573283290.db2.gz FSQZIGSOWAXPDZ-DTWKUNHWSA-N 2 0 170.300 1.502 10 0 ADAERP CC[N@@H+]1CC[C@H](CC(C)(C)C[NH3+])C1 259403226 573283362 /nfs/dbraw/zinc/28/33/62/573283362.db2.gz IKSUTVBSTGVFDN-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1[NH3+] 82922223 573283453 /nfs/dbraw/zinc/28/34/53/573283453.db2.gz QXBUJVRNRMOYRT-NXEZZACHSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1[NH3+] 82922222 573284144 /nfs/dbraw/zinc/28/41/44/573284144.db2.gz QXBUJVRNRMOYRT-VHSXEESVSA-N 2 0 184.327 1.892 10 0 ADAERP [NH3+][C@@H]1CCCC[C@@H]1C[NH2+]C1CCC1 82922451 573284216 /nfs/dbraw/zinc/28/42/16/573284216.db2.gz AESTTYWVRHKIMG-MWLCHTKSSA-N 2 0 182.311 1.646 10 0 ADAERP [NH3+]C[C@@H](C[NH+]1CCC1)c1ccccc1 308538882 573284233 /nfs/dbraw/zinc/28/42/33/573284233.db2.gz NFDJNJJARBRTDV-LBPRGKRZSA-N 2 0 190.290 1.435 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1[NH3+] 82922416 573284245 /nfs/dbraw/zinc/28/42/45/573284245.db2.gz CEBYUUSYXQXVFK-DCAQKATOSA-N 2 0 196.338 1.892 10 0 ADAERP C[NH+](C)[C@@H](C1CCC1)[C@H]1CCC[NH2+]C1 259402722 573284977 /nfs/dbraw/zinc/28/49/77/573284977.db2.gz HKDWSTKNPYCOPN-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP CC(=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1C 86190281 573286015 /nfs/dbraw/zinc/28/60/15/573286015.db2.gz YYPPOXQDHOULLK-VIFPVBQESA-N 2 0 169.272 1.010 10 0 ADAERP C[NH2+]C[C@H](C)Oc1cc(C)[nH+]c(C)c1 308539605 573286033 /nfs/dbraw/zinc/28/60/33/573286033.db2.gz MIYVYCPRYBSNAQ-JTQLQIEISA-N 2 0 194.278 1.685 10 0 ADAERP C[NH2+][C@H](CC(C)(C)[NH3+])C1CCC1 259403446 573285666 /nfs/dbraw/zinc/28/56/66/573285666.db2.gz MTKAXZCOIYUZRX-SECBINFHSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[C@H]1CC[N@H+](C)C1 259402257 573285793 /nfs/dbraw/zinc/28/57/93/573285793.db2.gz OEQCHMVBYIPCDV-GHMZBOCLSA-N 2 0 184.327 1.559 10 0 ADAERP C[NH2+]Cc1cccnc1C[NH+]1CCC1 308540384 573285824 /nfs/dbraw/zinc/28/58/24/573285824.db2.gz NRXIYZAAYQXGCO-UHFFFAOYSA-N 2 0 191.278 1.007 10 0 ADAERP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC2)C1 259068916 573285885 /nfs/dbraw/zinc/28/58/85/573285885.db2.gz GSXQCFAZBFEETF-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC2)C1 259068911 573285927 /nfs/dbraw/zinc/28/59/27/573285927.db2.gz GSXQCFAZBFEETF-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP C[NH+](C)[C@@H](C1CCC1)[C@@H]1CCC[NH2+]C1 259402714 573285933 /nfs/dbraw/zinc/28/59/33/573285933.db2.gz HKDWSTKNPYCOPN-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+][C@@H](CC(C)(C)[NH3+])C1CCC1 259403448 573285965 /nfs/dbraw/zinc/28/59/65/573285965.db2.gz MTKAXZCOIYUZRX-VIFPVBQESA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@H](C)[N@H+]1CC=C(C[NH3+])CC1 259067397 573287241 /nfs/dbraw/zinc/28/72/41/573287241.db2.gz BNFZWTBNLGARFD-VIFPVBQESA-N 2 0 168.284 1.376 10 0 ADAERP C[NH+](C)CCC[C@H]([NH3+])c1ccccn1 74247543 573287270 /nfs/dbraw/zinc/28/72/70/573287270.db2.gz WNNMZGCSABFNIS-JTQLQIEISA-N 2 0 193.294 1.423 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1C/C=C\C[NH3+] 258277943 573286622 /nfs/dbraw/zinc/28/66/22/573286622.db2.gz SISRKTBPUWYLCY-XOULXFPDSA-N 2 0 168.284 1.376 10 0 ADAERP C[NH2+]CC1(C[N@H+](C)CC(C)C)CCC1 259069617 573286789 /nfs/dbraw/zinc/28/67/89/573286789.db2.gz UIWTWKKNCLMXRJ-UHFFFAOYSA-N 2 0 198.354 1.964 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@H]2C[NH2+][C@@H](C)C2)C1 258278079 573286847 /nfs/dbraw/zinc/28/68/47/573286847.db2.gz SJYLNCLBSNBZBU-GARJFASQSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@]1(C2CC[NH2+]CC2)CCCC[NH2+]1 258277825 573287037 /nfs/dbraw/zinc/28/70/37/573287037.db2.gz SHTHEWJLSYDTSY-NSHDSACASA-N 2 0 182.311 1.518 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCC[N@H+](C)C2)C[NH2+]1 258279968 573286934 /nfs/dbraw/zinc/28/69/34/573286934.db2.gz SLOXNHDZVMHIHZ-MXWKQRLJSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+]C[C@]1([C@H]2CC[N@H+](C)C2)C[C@H]1C 259067715 573287065 /nfs/dbraw/zinc/28/70/65/573287065.db2.gz XQWKTYJLTSIWQB-OUAUKWLOSA-N 2 0 182.311 1.184 10 0 ADAERP C[NH2+]C[C@]1([C@@H]2CC[N@H+](C)C2)C[C@@H]1C 259067714 573287119 /nfs/dbraw/zinc/28/71/19/573287119.db2.gz XQWKTYJLTSIWQB-HBNTYKKESA-N 2 0 182.311 1.184 10 0 ADAERP C1C[NH2+]C[C@H]([C@H]2CC23CC[NH2+]CC3)C1 257993920 573287186 /nfs/dbraw/zinc/28/71/86/573287186.db2.gz FRVZKDABFMZJIT-GHMZBOCLSA-N 2 0 194.322 1.376 10 0 ADAERP C[C@@H]1C[C@@H]([C@@H]2CCC[N@H+](C)C2)C[NH2+]1 258279965 573287282 /nfs/dbraw/zinc/28/72/82/573287282.db2.gz SLOXNHDZVMHIHZ-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H](CC1CC[NH2+]CC1)[NH+](C)C 258490410 573287502 /nfs/dbraw/zinc/28/75/02/573287502.db2.gz KCXNYTAMPXMZFS-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@@H]2C[NH2+][C@H](C)C2)C1 258278084 573287541 /nfs/dbraw/zinc/28/75/41/573287541.db2.gz SJYLNCLBSNBZBU-VWYCJHECSA-N 2 0 182.311 1.326 10 0 ADAERP C1C[NH2+]C[C@H]([C@@H]2CC23CC[NH2+]CC3)C1 257993923 573287629 /nfs/dbraw/zinc/28/76/29/573287629.db2.gz FRVZKDABFMZJIT-MNOVXSKESA-N 2 0 194.322 1.376 10 0 ADAERP C[NH2+]CC1([NH2+]C)CCCCCC1 238324529 573287678 /nfs/dbraw/zinc/28/76/78/573287678.db2.gz FTQLTHQDBLMKOX-UHFFFAOYSA-N 2 0 170.300 1.518 10 0 ADAERP C[NH+](C)C[C@H]1CCCCCC[C@H]1[NH3+] 238324738 573291422 /nfs/dbraw/zinc/29/14/22/573291422.db2.gz 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RVZCGZNFWMHGIB-UHFFFAOYSA-N 2 0 156.273 1.082 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1[C@@H](C)C[NH3+] 259410452 573301702 /nfs/dbraw/zinc/30/17/02/573301702.db2.gz IVTHAHANWXREST-VHSXEESVSA-N 2 0 170.300 1.454 10 0 ADAERP CC[NH+](CC)C1C[C@H](C)[NH2+][C@@H](C)C1 74282394 573301826 /nfs/dbraw/zinc/30/18/26/573301826.db2.gz KMUYOVQZMGCIRO-UWVGGRQHSA-N 2 0 184.327 1.857 10 0 ADAERP CC[C@@H](C)[C@@H]1C[N@H+](CC)CCC[NH2+]1 82941141 573301915 /nfs/dbraw/zinc/30/19/15/573301915.db2.gz WZGQIWWSJMSMSR-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP [NH3+]CCCC[NH+]1C[C@H]2CCC[C@@H]2C1 126062453 573303648 /nfs/dbraw/zinc/30/36/48/573303648.db2.gz CYOVMNNBDOOKDM-GHMZBOCLSA-N 2 0 182.311 1.457 10 0 ADAERP [NH3+]CCCCC[N@H+]1C[C@H]2CCC[C@H]2C1 126065751 573304610 /nfs/dbraw/zinc/30/46/10/573304610.db2.gz FDAOBMUOCGNEMH-TXEJJXNPSA-N 2 0 196.338 1.847 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258286189 573304620 /nfs/dbraw/zinc/30/46/20/573304620.db2.gz SYFCEZCQMBSPBM-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C)[C@H]1C[N@H+](CC)CCC[NH2+]1 82941146 573303660 /nfs/dbraw/zinc/30/36/60/573303660.db2.gz WZGQIWWSJMSMSR-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[N@H+](CC1CC([NH3+])C1)C1CCC1 259079008 573303693 /nfs/dbraw/zinc/30/36/93/573303693.db2.gz SKIZBDTZVZSMQR-UHFFFAOYSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H](C[NH3+])[C@@H]([NH3+])C1CCCCC1 259409183 573303711 /nfs/dbraw/zinc/30/37/11/573303711.db2.gz OMFAMRKFMJRJET-WCBMZHEXSA-N 2 0 170.300 1.489 10 0 ADAERP CCC[N@@H+]1CC[C@H](C2CC[NH2+]CC2)C1 259410962 573303907 /nfs/dbraw/zinc/30/39/07/573303907.db2.gz YOBFLIBZWYKEBF-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP C[N@@H+]1CCCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258286188 573303918 /nfs/dbraw/zinc/30/39/18/573303918.db2.gz SYFCEZCQMBSPBM-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C[NH2+]C)[C@@H]([NH2+]C)C1CCC1 259075601 573303965 /nfs/dbraw/zinc/30/39/65/573303965.db2.gz CFXXLYIRCRSEPE-MWLCHTKSSA-N 2 0 184.327 1.620 10 0 ADAERP CN(c1cc[nH+]cc1)[C@H]1CCC[C@@H]1[NH3+] 259075465 573304169 /nfs/dbraw/zinc/30/41/69/573304169.db2.gz QYDJJOPLGPUJFJ-QWRGUYRKSA-N 2 0 191.278 1.398 10 0 ADAERP C[NH+](C)CCC[C@H]([NH3+])c1cc[nH]c1 74301518 573304217 /nfs/dbraw/zinc/30/42/17/573304217.db2.gz HCRMRDQDGPLSCI-JTQLQIEISA-N 2 0 181.283 1.356 10 0 ADAERP C[NH+](C)CCC[C@H]([NH3+])c1ccc[nH]1 74301506 573304338 /nfs/dbraw/zinc/30/43/38/573304338.db2.gz KHBIJCKNLMVANU-VIFPVBQESA-N 2 0 181.283 1.356 10 0 ADAERP CN(c1cc[nH+]cc1)[C@@H]1CCC[C@@H]1[NH3+] 259075467 573304427 /nfs/dbraw/zinc/30/44/27/573304427.db2.gz QYDJJOPLGPUJFJ-WDEREUQCSA-N 2 0 191.278 1.398 10 0 ADAERP C[N@@H+]1CCCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258286186 573304472 /nfs/dbraw/zinc/30/44/72/573304472.db2.gz SYFCEZCQMBSPBM-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP C[N@@H+]1CCCC[C@H](C[NH3+])CCC1 238340719 573304477 /nfs/dbraw/zinc/30/44/77/573304477.db2.gz LLAKMVUJBZNQSR-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H]1[C@H](C)C[NH3+] 259410453 573304489 /nfs/dbraw/zinc/30/44/89/573304489.db2.gz IVTHAHANWXREST-ZJUUUORDSA-N 2 0 170.300 1.454 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258286185 573304651 /nfs/dbraw/zinc/30/46/51/573304651.db2.gz SYFCEZCQMBSPBM-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@@H]([NH2+]C)C1CCC1 259075597 573304959 /nfs/dbraw/zinc/30/49/59/573304959.db2.gz CFXXLYIRCRSEPE-GXSJLCMTSA-N 2 0 184.327 1.620 10 0 ADAERP C[NH+](C)CCC[C@@H]([NH3+])c1ccc[nH]1 74301508 573305010 /nfs/dbraw/zinc/30/50/10/573305010.db2.gz KHBIJCKNLMVANU-SECBINFHSA-N 2 0 181.283 1.356 10 0 ADAERP c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c[nH]1 259078993 573305319 /nfs/dbraw/zinc/30/53/19/573305319.db2.gz SKGBYDYXALMHEA-JTQLQIEISA-N 2 0 193.294 1.104 10 0 ADAERP C#[N+]c1ccc(C[NH3+])cc1 106563065 573305417 /nfs/dbraw/zinc/30/54/17/573305417.db2.gz YRPQEGYDPCXHSA-UHFFFAOYSA-N 2 0 132.166 1.696 10 0 ADAERP CC[C@@H](C)[C@H]1C[N@H+](CC)CCC[NH2+]1 82941145 573305479 /nfs/dbraw/zinc/30/54/79/573305479.db2.gz WZGQIWWSJMSMSR-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H](C)[C@H]1C[N@H+](C)CCC[NH2+]1 82941216 573305560 /nfs/dbraw/zinc/30/55/60/573305560.db2.gz SRDRFNMVHYTGBI-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CCCCC[N@@H+]1CCC[C@H]1CC[NH3+] 259411045 573306432 /nfs/dbraw/zinc/30/64/32/573306432.db2.gz YPBWERGCKQZURO-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP C[N@H+](CCC1CC1)CC1(C[NH3+])CCC1 308545582 573306477 /nfs/dbraw/zinc/30/64/77/573306477.db2.gz VRMYYTLPUQOHLH-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP C[C@@H]([NH3+])CC[C@H]([NH3+])c1cccs1 259409000 573306480 /nfs/dbraw/zinc/30/64/80/573306480.db2.gz OLDYBEMVWXNOPE-SFYZADRCSA-N 2 0 184.308 1.875 10 0 ADAERP C[N@@H+]1CCCC[C@H](C[NH3+])[C@@H]1C1CC1 238340748 573306637 /nfs/dbraw/zinc/30/66/37/573306637.db2.gz KTGYCROXBBUWAG-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP CC[NH2+]Cc1occc1C[NH+]1CCC1 308544460 573306696 /nfs/dbraw/zinc/30/66/96/573306696.db2.gz PESBNLCEYKWYMN-UHFFFAOYSA-N 2 0 194.278 1.595 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@H]([NH2+]C)C1CCC1 259075604 573306740 /nfs/dbraw/zinc/30/67/40/573306740.db2.gz CFXXLYIRCRSEPE-ONGXEEELSA-N 2 0 184.327 1.620 10 0 ADAERP C[NH2+][C@@H](C[C@H](C)C[NH3+])c1cccs1 259410809 573306866 /nfs/dbraw/zinc/30/68/66/573306866.db2.gz NBTNRKRDEURTPK-IUCAKERBSA-N 2 0 198.335 1.994 10 0 ADAERP C[NH2+][C@H](C[C@H](C)C[NH3+])c1cccs1 259410806 573306949 /nfs/dbraw/zinc/30/69/49/573306949.db2.gz NBTNRKRDEURTPK-DTWKUNHWSA-N 2 0 198.335 1.994 10 0 ADAERP C[C@H]1CCNC(C)(C)C[N@@H+]1CC1CC1 82942976 573307031 /nfs/dbraw/zinc/30/70/31/573307031.db2.gz WXWQPXFSBXKOEA-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)C[N@@H+]1C[C@@H](C)NCC[C@H]1C 82942450 573307170 /nfs/dbraw/zinc/30/71/70/573307170.db2.gz FQHZAHBWNSGJFZ-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP CC[C@H](C[NH2+]C)[C@H]([NH2+]C)C1CCC1 259075599 573307193 /nfs/dbraw/zinc/30/71/93/573307193.db2.gz CFXXLYIRCRSEPE-KOLCDFICSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)(C)c1nc(C(C)(C)[NH3+])c[nH]1 74301466 573307238 /nfs/dbraw/zinc/30/72/38/573307238.db2.gz FWJHPFHBEJNIHH-UHFFFAOYSA-N 2 0 181.283 1.901 10 0 ADAERP CC(C)[N@@H+]1CC(C)(C)NCC[C@@H]1C 82942987 573307315 /nfs/dbraw/zinc/30/73/15/573307315.db2.gz CLCOMSXOINRFCB-JTQLQIEISA-N 2 0 184.327 1.857 10 0 ADAERP C[C@@H]1C[C@H](C[C@@H]2CCC[N@@H+]2C)C[NH2+]1 258253088 573307342 /nfs/dbraw/zinc/30/73/42/573307342.db2.gz QSXHBUHXGCYPKB-MXWKQRLJSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]([NH+]1CCC1)C(C)(C)C[NH3+] 259075852 573307355 /nfs/dbraw/zinc/30/73/55/573307355.db2.gz CGJZNCMCSXUIFM-MRVPVSSYSA-N 2 0 156.273 1.066 10 0 ADAERP C1CC(C[NH2+]CCC2CC[NH2+]CC2)C1 259079045 573307417 /nfs/dbraw/zinc/30/74/17/573307417.db2.gz SKZAQOPXQMJPPB-UHFFFAOYSA-N 2 0 196.338 1.766 10 0 ADAERP CCC[C@H]([NH3+])C[C@@H]1CC[NH2+]C1 259411745 573307552 /nfs/dbraw/zinc/30/75/52/573307552.db2.gz ONHJUSRIQWGGFW-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP NC[C@@]1(c2cccc(Cl)c2)CC[NH2+]1 258255460 573307560 /nfs/dbraw/zinc/30/75/60/573307560.db2.gz QHQCANMMKMLTFF-SNVBAGLBSA-N 2 0 196.681 1.487 10 0 ADAERP CC[C@@H]1C[N@H+](CC2CC2)[C@H](C)CCN1 82943343 573307684 /nfs/dbraw/zinc/30/76/84/573307684.db2.gz RHZAFDHNIDFJRJ-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941564 573307811 /nfs/dbraw/zinc/30/78/11/573307811.db2.gz SDJXBRQEKWMDCM-NSHDSACASA-N 2 0 184.327 1.859 10 0 ADAERP CC[N@@H+]1CCC[C@@H](/C=C\C[NH3+])C1 258255400 573307854 /nfs/dbraw/zinc/30/78/54/573307854.db2.gz QXBHUQMQSUGEGR-TZGMSPROSA-N 2 0 168.284 1.233 10 0 ADAERP C[C@H]([NH+]1CCC1)C(C)(C)C[NH3+] 259075855 573307876 /nfs/dbraw/zinc/30/78/76/573307876.db2.gz CGJZNCMCSXUIFM-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP CCC[C@@H]([NH3+])C[C@@H]1CC[NH2+]C1 259411741 573307964 /nfs/dbraw/zinc/30/79/64/573307964.db2.gz ONHJUSRIQWGGFW-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP C[NH2+][C@@H](c1cccc(F)c1)[C@@H](C)C[NH3+] 259411591 573308647 /nfs/dbraw/zinc/30/86/47/573308647.db2.gz MFMYUVLRXUSFFE-GZMMTYOYSA-N 2 0 196.269 1.681 10 0 ADAERP 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PAOOYMXSQHDTRI-MRVPVSSYSA-N 2 0 172.316 1.735 10 0 ADAERP CC(C)(C)[C@H]([NH3+])C(C)(C)CC[NH3+] 259420747 573333300 /nfs/dbraw/zinc/33/33/00/573333300.db2.gz PAOOYMXSQHDTRI-QMMMGPOBSA-N 2 0 172.316 1.735 10 0 ADAERP [NH3+]CC1(N2CCC[C@@H]3CCC[C@@H]32)CC1 236168546 573332588 /nfs/dbraw/zinc/33/25/88/573332588.db2.gz XYZVSGNYZUXXSR-QWRGUYRKSA-N 2 0 194.322 1.742 10 0 ADAERP CC[C@@H](C[NH3+])[C@H]([NH2+]C)c1ccc(C)o1 259419302 573332997 /nfs/dbraw/zinc/33/29/97/573332997.db2.gz YFCFDVBYVYZRFP-ONGXEEELSA-N 2 0 196.294 1.833 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCC1(C)C 308560529 573333039 /nfs/dbraw/zinc/33/30/39/573333039.db2.gz XAIXZIDFHIGMSH-WDEREUQCSA-N 2 0 198.354 1.996 10 0 ADAERP C[C@H]1CC[NH2+]C2(CCCCC2)C[NH2+]1 82961008 573334961 /nfs/dbraw/zinc/33/49/61/573334961.db2.gz DYMQPCYMVAQVFG-JTQLQIEISA-N 2 0 182.311 1.661 10 0 ADAERP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[NH2+]1 82961030 573334977 /nfs/dbraw/zinc/33/49/77/573334977.db2.gz FHKNDPAJKRDDJF-IUCAKERBSA-N 2 0 170.300 1.373 10 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168.284 1.294 10 0 ADAERP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[NH2+]1 82961027 573338663 /nfs/dbraw/zinc/33/86/63/573338663.db2.gz BYSJYXSQSCXCRQ-SCZZXKLOSA-N 2 0 168.284 1.127 10 0 ADAERP C[C@H]1CC[NH2+][C@H](C2CCCCC2)C[NH2+]1 82961038 573339580 /nfs/dbraw/zinc/33/95/80/573339580.db2.gz YGYLONVXEHXPTO-JQWIXIFHSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@H](C)N(CC[NH3+])c1cc[nH+]cc1 308554696 573339308 /nfs/dbraw/zinc/33/93/08/573339308.db2.gz UNQYWXYMJOCVDU-JTQLQIEISA-N 2 0 193.294 1.645 10 0 ADAERP CCC1(CC)C[NH2+][C@H](C)CC[NH2+]1 82961053 573339371 /nfs/dbraw/zinc/33/93/71/573339371.db2.gz LMTOUZOKHWTFSR-SECBINFHSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)CC[N@H+](C)C[C@@H](C)C1C[NH2+]C1 129557804 573339389 /nfs/dbraw/zinc/33/93/89/573339389.db2.gz COHQXKIZKPOZBA-LLVKDONJSA-N 2 0 198.354 1.820 10 0 ADAERP CC[C@@]1(C)C[NH2+][C@H](C)CC[NH2+]1 82961050 573339561 /nfs/dbraw/zinc/33/95/61/573339561.db2.gz MVNOQDUYECDMRH-BDAKNGLRSA-N 2 0 156.273 1.127 10 0 ADAERP 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82961037 573339890 /nfs/dbraw/zinc/33/98/90/573339890.db2.gz YGYLONVXEHXPTO-PWSUYJOCSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]1CC[NH2+]C2(CCCC2)C[NH2+]1 82961024 573339912 /nfs/dbraw/zinc/33/99/12/573339912.db2.gz YNXUBZCESUUJMH-VIFPVBQESA-N 2 0 168.284 1.271 10 0 ADAERP C[NH2+][C@@H](c1ccccc1F)[C@H](C)C[NH3+] 259423524 573340006 /nfs/dbraw/zinc/34/00/06/573340006.db2.gz MVJQWNSYZSNMEQ-LDYMZIIASA-N 2 0 196.269 1.681 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]C1CC(C2CC2)C1 714673462 573340034 /nfs/dbraw/zinc/34/00/34/573340034.db2.gz XCTJENPICDMEAT-GCVQQVDUSA-N 2 0 196.338 1.750 10 0 ADAERP CC[C@@]1(C)C[NH2+][C@@H](C)CC[NH2+]1 82961052 573340054 /nfs/dbraw/zinc/34/00/54/573340054.db2.gz MVNOQDUYECDMRH-IUCAKERBSA-N 2 0 156.273 1.127 10 0 ADAERP CC[C@H](C[NH2+]C)[C@@H](CC(C)C)[NH2+]C 259086988 573341411 /nfs/dbraw/zinc/34/14/11/573341411.db2.gz CZYRVXRHTYXOHG-GHMZBOCLSA-N 2 0 186.343 1.866 10 0 ADAERP CC[C@]1(C)C[NH2+][C@@H](C)CC[NH2+]1 82961051 573340355 /nfs/dbraw/zinc/34/03/55/573340355.db2.gz MVNOQDUYECDMRH-DTWKUNHWSA-N 2 0 156.273 1.127 10 0 ADAERP C/C=C/CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 129589542 573340454 /nfs/dbraw/zinc/34/04/54/573340454.db2.gz AMWXACHVRVCXRK-RUULKOMLSA-N 2 0 196.338 1.882 10 0 ADAERP CC(C)(C)[N@H+]1CC=C(C[NH3+])CC1 259091654 573341421 /nfs/dbraw/zinc/34/14/21/573341421.db2.gz DTLFTHXEQSXVFO-UHFFFAOYSA-N 2 0 168.284 1.376 10 0 ADAERP CC[C@H](C)[C@@H]1C[NH2+][C@H](C)CC[NH2+]1 82961000 573340675 /nfs/dbraw/zinc/34/06/75/573340675.db2.gz FJRDVZLDKKWTBT-AEJSXWLSSA-N 2 0 170.300 1.373 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@@H](CC(C)C)[NH2+]C 259086999 573340688 /nfs/dbraw/zinc/34/06/88/573340688.db2.gz CZYRVXRHTYXOHG-WDEREUQCSA-N 2 0 186.343 1.866 10 0 ADAERP CC(C)C[C@@H]1C[NH2+][C@H](C)CC[NH2+]1 82961013 573340844 /nfs/dbraw/zinc/34/08/44/573340844.db2.gz VYFYAODRXJOWLA-NXEZZACHSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[NH2+]1 82961032 573340868 /nfs/dbraw/zinc/34/08/68/573340868.db2.gz FHKNDPAJKRDDJF-DTWKUNHWSA-N 2 0 170.300 1.373 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@H](CC(C)C)[NH2+]C 259086995 573340878 /nfs/dbraw/zinc/34/08/78/573340878.db2.gz CZYRVXRHTYXOHG-QWRGUYRKSA-N 2 0 186.343 1.866 10 0 ADAERP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[NH2+]1 82961025 573340918 /nfs/dbraw/zinc/34/09/18/573340918.db2.gz BYSJYXSQSCXCRQ-PSASIEDQSA-N 2 0 168.284 1.127 10 0 ADAERP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[NH2+]1 82961026 573340940 /nfs/dbraw/zinc/34/09/40/573340940.db2.gz BYSJYXSQSCXCRQ-WCBMZHEXSA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)C[C@@H]1C[NH2+][C@@H](C)CC[NH2+]1 82961014 573341089 /nfs/dbraw/zinc/34/10/89/573341089.db2.gz VYFYAODRXJOWLA-VHSXEESVSA-N 2 0 170.300 1.373 10 0 ADAERP CCC[C@H](C[NH+](C)C)C1CC[NH2+]CC1 258634180 573341272 /nfs/dbraw/zinc/34/12/72/573341272.db2.gz RLEAARDTXUYLDC-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[C@@H](C[NH+](C)C)C1CC[NH2+]CC1 258634183 573341297 /nfs/dbraw/zinc/34/12/97/573341297.db2.gz RLEAARDTXUYLDC-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP [NH3+][C@H](CC1CC[NH2+]CC1)c1ccc[nH]1 259087187 573341338 /nfs/dbraw/zinc/34/13/38/573341338.db2.gz AHIYYNYYLXRGAA-SNVBAGLBSA-N 2 0 193.294 1.404 10 0 ADAERP C/C=C/CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 129589732 573343042 /nfs/dbraw/zinc/34/30/42/573343042.db2.gz AMWXACHVRVCXRK-XMXMHJJKSA-N 2 0 196.338 1.882 10 0 ADAERP CC(C)[NH2+]CCCNc1cc[nH+]cc1 132822512 573343103 /nfs/dbraw/zinc/34/31/03/573343103.db2.gz VHIFIFJFFDUQRH-UHFFFAOYSA-N 2 0 193.294 1.882 10 0 ADAERP COCC(C)(C)[N@H+](C)CC[C@@H](C)[NH3+] 308350574 573343165 /nfs/dbraw/zinc/34/31/65/573343165.db2.gz YCCFZQNNNWIBKR-SECBINFHSA-N 2 0 188.315 1.081 10 0 ADAERP CC[C@@H](C[NH3+])[C@H]([NH2+]C)c1ccccc1 259092023 573343976 /nfs/dbraw/zinc/34/39/76/573343976.db2.gz DLVNYNQLTRYCAT-JQWIXIFHSA-N 2 0 192.306 1.932 10 0 ADAERP C[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+]2C)C[NH2+]1 258290245 573343959 /nfs/dbraw/zinc/34/39/59/573343959.db2.gz TXEZCYQNAHXOJN-BBBLOLIVSA-N 2 0 168.284 1.079 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C[C@@H]1C 308557852 573344001 /nfs/dbraw/zinc/34/40/01/573344001.db2.gz UGHOSVNCHMXDKG-SRVKXCTJSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]([C@]2(C)CCC[NH2+]2)C1 258306108 573344008 /nfs/dbraw/zinc/34/40/08/573344008.db2.gz VCDSSRSLUNGXSM-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[C@@H]([C@H]2CCC[N@@H+]2C)C[NH2+]1 258290252 573344180 /nfs/dbraw/zinc/34/41/80/573344180.db2.gz TXEZCYQNAHXOJN-OPRDCNLKSA-N 2 0 168.284 1.079 10 0 ADAERP CC[C@]1([C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 258288131 573344291 /nfs/dbraw/zinc/34/42/91/573344291.db2.gz SYPCAGJOHSOFPJ-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP C[NH2+]CC/C=C\[C@@H]1CC[N@H+](C)C1 258288321 573344438 /nfs/dbraw/zinc/34/44/38/573344438.db2.gz TVMXMKPSTXJYIF-TZGMSPROSA-N 2 0 168.284 1.104 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1CCC1 259091884 573344458 /nfs/dbraw/zinc/34/44/58/573344458.db2.gz RUKOVPUWZJPCQE-BDAKNGLRSA-N 2 0 154.257 1.008 10 0 ADAERP [NH3+][C@@H]1CCCC[C@H]1CC[NH2+]C1CC1 308353829 573344467 /nfs/dbraw/zinc/34/44/67/573344467.db2.gz ZWKZSZAAFWFLLK-GXSJLCMTSA-N 2 0 182.311 1.646 10 0 ADAERP C[NH+](C)Cc1cccc2c1C[NH2+]CC2 258309208 573345048 /nfs/dbraw/zinc/34/50/48/573345048.db2.gz WYRAFKVYUTULLM-UHFFFAOYSA-N 2 0 190.290 1.394 10 0 ADAERP Cc1cc([C@H]([NH3+])[C@@H](C)C[NH3+])ccc1F 259092207 573345112 /nfs/dbraw/zinc/34/51/12/573345112.db2.gz ALCSCZNITGAKDO-GZMMTYOYSA-N 2 0 196.269 1.729 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCCC1 86272449 573345247 /nfs/dbraw/zinc/34/52/47/573345247.db2.gz SIVGTFIWFOZXFB-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@]1([C@H]2CCC[N@@H+]2C)CCC[NH2+]1 258288123 573345383 /nfs/dbraw/zinc/34/53/83/573345383.db2.gz SYPCAGJOHSOFPJ-GHMZBOCLSA-N 2 0 182.311 1.613 10 0 ADAERP Cc1cc([C@@H]([NH3+])[C@H](C)C[NH3+])ccc1F 259092211 573345407 /nfs/dbraw/zinc/34/54/07/573345407.db2.gz ALCSCZNITGAKDO-KCJUWKMLSA-N 2 0 196.269 1.729 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCCCC1 86272521 573345438 /nfs/dbraw/zinc/34/54/38/573345438.db2.gz RQSVJKCROAEWLM-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP CC1CC[NH+](C[C@@H]2CC[NH2+][C@@H]2C)CC1 86272442 573345477 /nfs/dbraw/zinc/34/54/77/573345477.db2.gz JXZHGKMTLCNPKF-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CCCC1(C)C 86273128 573345578 /nfs/dbraw/zinc/34/55/78/573345578.db2.gz DVQMTICMMZKFQP-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]C1CCCC1 86272737 573345609 /nfs/dbraw/zinc/34/56/09/573345609.db2.gz LUBYXICTRWLFJM-NXEZZACHSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH+]1CCCCCC1 86272474 573345665 /nfs/dbraw/zinc/34/56/65/573345665.db2.gz NZGDLQOJYPIJQD-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1C/C=C\C[NH3+] 258290473 573345787 /nfs/dbraw/zinc/34/57/87/573345787.db2.gz TYZFSGHBRYPCJP-GQPNGRKGSA-N 2 0 168.284 1.376 10 0 ADAERP CC[C@@]1([C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 258288129 573346837 /nfs/dbraw/zinc/34/68/37/573346837.db2.gz SYPCAGJOHSOFPJ-QWRGUYRKSA-N 2 0 182.311 1.613 10 0 ADAERP CC(C)(C)[C@H]([NH3+])CC[NH2+]C1CC1 129599491 573346840 /nfs/dbraw/zinc/34/68/40/573346840.db2.gz GOVDLUVNXXFBLD-SECBINFHSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272502 573346861 /nfs/dbraw/zinc/34/68/61/573346861.db2.gz VZTXTRATDUVNKQ-VHSXEESVSA-N 2 0 170.300 1.325 10 0 ADAERP CC[C@H](C[NH3+])[C@H]([NH2+]C)c1ccccc1 259092025 573346427 /nfs/dbraw/zinc/34/64/27/573346427.db2.gz DLVNYNQLTRYCAT-PWSUYJOCSA-N 2 0 192.306 1.932 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+](C)C1CCCC1 86272570 573346428 /nfs/dbraw/zinc/34/64/28/573346428.db2.gz XTOYXUCNYRHXHL-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)(C)[C@H]([NH3+])CC[NH2+]CC1CC1 129601661 573346448 /nfs/dbraw/zinc/34/64/48/573346448.db2.gz SIKZDZYFRVXFPE-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@H+](C)C1CC1 86272559 573346618 /nfs/dbraw/zinc/34/66/18/573346618.db2.gz HSFODVDSFZSKAO-BDAKNGLRSA-N 2 0 168.284 1.079 10 0 ADAERP CC(C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272499 573346646 /nfs/dbraw/zinc/34/66/46/573346646.db2.gz VZTXTRATDUVNKQ-ZJUUUORDSA-N 2 0 170.300 1.325 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+](C)C1CCCC1 86272568 573346653 /nfs/dbraw/zinc/34/66/53/573346653.db2.gz XTOYXUCNYRHXHL-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+]C[C@H]1C 308557853 573346689 /nfs/dbraw/zinc/34/66/89/573346689.db2.gz UGHOSVNCHMXDKG-WOPDTQHZSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[NH+]1CCCCC1 86272519 573346763 /nfs/dbraw/zinc/34/67/63/573346763.db2.gz RQSVJKCROAEWLM-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]C1CCCCC1 86272699 573346793 /nfs/dbraw/zinc/34/67/93/573346793.db2.gz CRMNOIVWISJBFZ-MNOVXSKESA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC1(C)C 86273010 573349047 /nfs/dbraw/zinc/34/90/47/573349047.db2.gz YYFSNTUGQBEBBQ-IVZWLZJFSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C1(C)CCCC1 86273274 573349061 /nfs/dbraw/zinc/34/90/61/573349061.db2.gz KPSSBOLOAFEEFE-WDEREUQCSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@H+](C)C1CCCC1 86272567 573349075 /nfs/dbraw/zinc/34/90/75/573349075.db2.gz XTOYXUCNYRHXHL-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]C1(C)CCCC1 86273271 573349368 /nfs/dbraw/zinc/34/93/68/573349368.db2.gz KPSSBOLOAFEEFE-MNOVXSKESA-N 2 0 196.338 1.907 10 0 ADAERP CC(C)C[NH2+]CC[C@@H]([NH3+])C(C)(C)C 129600134 573348716 /nfs/dbraw/zinc/34/87/16/573348716.db2.gz VIGMLFOSKYJGDF-SNVBAGLBSA-N 2 0 186.343 1.996 10 0 ADAERP CCCC[C@@H]([NH3+])c1cncn1C 126099918 573348769 /nfs/dbraw/zinc/34/87/69/573348769.db2.gz SKMNLGGEFYMAMP-MRVPVSSYSA-N 2 0 167.256 1.610 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH+]1CCCCCC1 86272473 573348862 /nfs/dbraw/zinc/34/88/62/573348862.db2.gz NZGDLQOJYPIJQD-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)[NH2+]CC[C@@H]([NH3+])C(C)(C)C 129597969 573348904 /nfs/dbraw/zinc/34/89/04/573348904.db2.gz ZCOXPYIKOUELGK-SECBINFHSA-N 2 0 172.316 1.748 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C(C)(C)C 86272714 573348927 /nfs/dbraw/zinc/34/89/27/573348927.db2.gz KBIDHTRYLBJUQE-DTWKUNHWSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+](C)C1CC1 86272560 573348933 /nfs/dbraw/zinc/34/89/33/573348933.db2.gz HSFODVDSFZSKAO-IUCAKERBSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]C1CCCC1 86272735 573349056 /nfs/dbraw/zinc/34/90/56/573349056.db2.gz LUBYXICTRWLFJM-ZJUUUORDSA-N 2 0 182.311 1.517 10 0 ADAERP CC[C@H](C)C[C@H]([NH3+])c1cncn1C 126100349 573349124 /nfs/dbraw/zinc/34/91/24/573349124.db2.gz TVZUVLAJJCTGND-IUCAKERBSA-N 2 0 181.283 1.856 10 0 ADAERP CC1CC[NH+](C[C@@H]2CC[NH2+][C@H]2C)CC1 86272444 573349130 /nfs/dbraw/zinc/34/91/30/573349130.db2.gz JXZHGKMTLCNPKF-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])CC[NH2+]C1CC1 129599714 573349137 /nfs/dbraw/zinc/34/91/37/573349137.db2.gz GOVDLUVNXXFBLD-VIFPVBQESA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[N@H+](C)C1CC1 86272561 573349181 /nfs/dbraw/zinc/34/91/81/573349181.db2.gz 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573432619 /nfs/dbraw/zinc/43/26/19/573432619.db2.gz AWTHGTDHLAPXHY-WCBMZHEXSA-N 2 0 168.284 1.208 10 0 ADAERP C[NH2+]C/C=C\[C@@H]1CCC[N@@H+](C(C)C)C1 258031373 573432625 /nfs/dbraw/zinc/43/26/25/573432625.db2.gz CAVLUNALWVLLMO-TXNVCOODSA-N 2 0 196.338 1.882 10 0 ADAERP C[C@@H]1C[C@]2(CCC[NH2+]C2)C[N@@H+]1C 107223644 573432644 /nfs/dbraw/zinc/43/26/44/573432644.db2.gz RAKOWECRHSYOEZ-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]([NH3+])c1ccc2c(c1)C[C@@H]([NH3+])CC2 238394233 573432670 /nfs/dbraw/zinc/43/26/70/573432670.db2.gz NHHCLRZSXZHWBW-PELKAZGASA-N 2 0 190.290 1.522 10 0 ADAERP C[C@H]1C[C@H](CC[NH3+])C[N@@H+]1C1CC1 107223932 573432743 /nfs/dbraw/zinc/43/27/43/573432743.db2.gz GIKXXWMNJJTDRG-IUCAKERBSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1[N@H+](C)CC[C@@]12CCC[NH2+]C2 107223666 573432789 /nfs/dbraw/zinc/43/27/89/573432789.db2.gz GCDRPUICOVOBPX-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)(C)[NH2+]CC[C@H]([NH3+])C1CC1 130035653 573432798 /nfs/dbraw/zinc/43/27/98/573432798.db2.gz LYXNNGVLDFENJS-VIFPVBQESA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+]Cc1ccccc1[C@@]1(F)CC[NH2+]C1 257812544 573432896 /nfs/dbraw/zinc/43/28/96/573432896.db2.gz BSYXCWAWRKWGGD-LLVKDONJSA-N 2 0 194.253 1.303 10 0 ADAERP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C1CC1 107223963 573432951 /nfs/dbraw/zinc/43/29/51/573432951.db2.gz ZIJZSKSPZPLBFX-BDAKNGLRSA-N 2 0 168.284 1.208 10 0 ADAERP CC(C)[NH2+]CC[C@@H]([NH3+])C1CC1 130036274 573434074 /nfs/dbraw/zinc/43/40/74/573434074.db2.gz ACFIXVWETHQZTL-SECBINFHSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@@H]1[N@H+](C)CCC[C@]12CC[NH2+]C2 107223916 573433007 /nfs/dbraw/zinc/43/30/07/573433007.db2.gz QSKYBSRIIIGXHA-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@@H]23 238394385 573433012 /nfs/dbraw/zinc/43/30/12/573433012.db2.gz CPDUVZYZIPKSNT-FIQHERPVSA-N 2 0 194.322 1.469 10 0 ADAERP c1[nH]c(C2CCC2)nc1[C@H]1CC[NH2+]C1 257811805 573433077 /nfs/dbraw/zinc/43/30/77/573433077.db2.gz BIPQMVXMDROMRM-VIFPVBQESA-N 2 0 191.278 1.754 10 0 ADAERP C[NH2+][C@@H]1CCC[N@@H+](C2CC2)CC1 107224023 573433121 /nfs/dbraw/zinc/43/31/21/573433121.db2.gz NGWDVSKRQVIQBV-SECBINFHSA-N 2 0 168.284 1.223 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CC[C@H]([NH3+])C1CC1 130032164 573433148 /nfs/dbraw/zinc/43/31/48/573433148.db2.gz GQPBAHROLFIVPN-KOLCDFICSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)([NH3+])CC[C@H]([NH3+])c1cccnc1 259449332 573433151 /nfs/dbraw/zinc/43/31/51/573433151.db2.gz QIKBDTRRYQGAGR-JTQLQIEISA-N 2 0 193.294 1.599 10 0 ADAERP C[N@@H+]1CC[C@@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258031310 573433199 /nfs/dbraw/zinc/43/31/99/573433199.db2.gz BZUNEMUSOIWQBA-ZJUUUORDSA-N 2 0 182.311 1.326 10 0 ADAERP CC(C)[NH2+]CC[C@H]([NH3+])C1CC1 130036055 573433212 /nfs/dbraw/zinc/43/32/12/573433212.db2.gz ACFIXVWETHQZTL-VIFPVBQESA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]1C[C@]2(CCC[NH2+]C2)C[N@@H+]1C 107223648 573433261 /nfs/dbraw/zinc/43/32/61/573433261.db2.gz RAKOWECRHSYOEZ-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1C[C@@]2(CCC[NH2+]C2)C[N@@H+]1C 107223637 573433308 /nfs/dbraw/zinc/43/33/08/573433308.db2.gz RAKOWECRHSYOEZ-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP [NH3+][C@H](CC[NH2+]C1CCCC1)C1CC1 130038863 573433547 /nfs/dbraw/zinc/43/35/47/573433547.db2.gz HOIFSILUDKATLQ-LLVKDONJSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@@H]1CC2(CC[NH2+]CC2)C[N@@H+]1C 107223674 573434106 /nfs/dbraw/zinc/43/41/06/573434106.db2.gz DQPGHVSSYUSBLJ-SECBINFHSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1CC1 107223970 573433637 /nfs/dbraw/zinc/43/36/37/573433637.db2.gz ZIJZSKSPZPLBFX-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP CCC[NH2+]CC1(F)CC[NH2+]CC1 257812426 573433794 /nfs/dbraw/zinc/43/37/94/573433794.db2.gz BQGKQNQEPQGJDN-UHFFFAOYSA-N 2 0 174.263 1.078 10 0 ADAERP C[NH2+]CC1(C[NH2+]C2CCCC2)CCC1 258649192 573433859 /nfs/dbraw/zinc/43/38/59/573433859.db2.gz MMKDZVVMUVKTPX-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP C[C@@H]1C[C@H](CC[NH3+])C[N@@H+]1C1CC1 107223930 573433980 /nfs/dbraw/zinc/43/39/80/573433980.db2.gz GIKXXWMNJJTDRG-BDAKNGLRSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@H]1[C@@H](C[NH3+])CC[N@@H+]1C1CC1 107223952 573434981 /nfs/dbraw/zinc/43/49/81/573434981.db2.gz AWTHGTDHLAPXHY-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]([NH3+])c1ccc2c(c1)C[C@H]([NH3+])CC2 238394216 573435195 /nfs/dbraw/zinc/43/51/95/573435195.db2.gz NHHCLRZSXZHWBW-PRHODGIISA-N 2 0 190.290 1.522 10 0 ADAERP C[NH2+]C/C=C\[C@H]1CCC[N@@H+](C(C)C)C1 258031372 573435287 /nfs/dbraw/zinc/43/52/87/573435287.db2.gz CAVLUNALWVLLMO-RNZFLTOJSA-N 2 0 196.338 1.882 10 0 ADAERP C[NH+]1CCC(CNC2=[NH+]CCC2)CC1 86455185 573436161 /nfs/dbraw/zinc/43/61/61/573436161.db2.gz IYDQSLVVOBWKSU-UHFFFAOYSA-N 2 0 195.310 1.110 10 0 ADAERP C[C@@H](CC(N)[NH3+])c1ccccc1 144294768 573435435 /nfs/dbraw/zinc/43/54/35/573435435.db2.gz HPYIZKRDGJFJCS-QMMMGPOBSA-N 2 0 164.252 1.424 10 0 ADAERP CC(C)N1CCC[C@](F)(C[NH3+])C1 118866249 573435455 /nfs/dbraw/zinc/43/54/55/573435455.db2.gz IBGGWXOGALBXIZ-VIFPVBQESA-N 2 0 174.263 1.158 10 0 ADAERP C1C[NH2+]CC2(C1)CC[NH+](C1CC1)CC2 107235762 573435580 /nfs/dbraw/zinc/43/55/80/573435580.db2.gz FLWBBYRRPCXJRF-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C[N@@H+]1C1CC1 107227990 573435593 /nfs/dbraw/zinc/43/55/93/573435593.db2.gz LWEOTZTTZXXRGE-DVVUODLYSA-N 2 0 180.295 1.221 10 0 ADAERP CC[C@@H]1[C@@H]2[NH2+]CCC[C@H]2C[N@@H+]1C1CC1 107235872 573435621 /nfs/dbraw/zinc/43/56/21/573435621.db2.gz LIEFQBAVPAZIDX-MVWJERBFSA-N 2 0 194.322 1.611 10 0 ADAERP C[C@@H]1C[C@@]2(CCC[NH2+]C2)CC[N@@H+]1C 107229695 573435652 /nfs/dbraw/zinc/43/56/52/573435652.db2.gz QHGQYHLOJZHDTM-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP Nc1[nH]cc(-c2cccc(C[NH3+])c2)[nH+]1 257812614 573435658 /nfs/dbraw/zinc/43/56/58/573435658.db2.gz BWAXEUWQPBOYQC-UHFFFAOYSA-N 2 0 188.234 1.118 10 0 ADAERP CC[C@@H]1[N@H+](C)CC[C@@]12CCC[NH2+]C2 107229677 573435770 /nfs/dbraw/zinc/43/57/70/573435770.db2.gz XKJGUXZXXRHIDW-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H](CC(N)[NH3+])c1ccccc1 144294987 573435862 /nfs/dbraw/zinc/43/58/62/573435862.db2.gz HPYIZKRDGJFJCS-MRVPVSSYSA-N 2 0 164.252 1.424 10 0 ADAERP Cc1cccc([C@@H]([NH3+])C2C[NH2+]C2)c1 259102909 573435865 /nfs/dbraw/zinc/43/58/65/573435865.db2.gz BAIDIYSLZQJBIC-LLVKDONJSA-N 2 0 176.263 1.214 10 0 ADAERP C[C@@H]([NH3+])c1ccc2c(c1)CC[C@@H]([NH3+])C2 238394356 573435897 /nfs/dbraw/zinc/43/58/97/573435897.db2.gz PRYYALNBSDMDDS-PRHODGIISA-N 2 0 190.290 1.522 10 0 ADAERP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CC1 107227966 573435975 /nfs/dbraw/zinc/43/59/75/573435975.db2.gz GCRAWCALORWMCI-DVVUODLYSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1[C@@H]2CC[NH2+]C[C@@H]2C[N@@H+]1C1CC1 107227927 573436026 /nfs/dbraw/zinc/43/60/26/573436026.db2.gz WTYZIUXRIYEIDS-KKZNHRDASA-N 2 0 180.295 1.079 10 0 ADAERP CC[C@H](C[C@@H]1CCC[NH2+]1)[NH+](C)C 259448430 573436044 /nfs/dbraw/zinc/43/60/44/573436044.db2.gz JDMQQXDGHRDDEK-VHSXEESVSA-N 2 0 170.300 1.469 10 0 ADAERP C1C[NH2+]C[C@@]2(C1)CCC[N@@H+](C1CC1)C2 107235749 573436085 /nfs/dbraw/zinc/43/60/85/573436085.db2.gz CTSPRWQHAZEVOT-GFCCVEGCSA-N 2 0 194.322 1.614 10 0 ADAERP C[C@@H]1C[C@@]2(CCC[NH2+]C2)C[N@@H+]1C1CC1 107235726 573436152 /nfs/dbraw/zinc/43/61/52/573436152.db2.gz SJJMTASWYSEJAV-ZYHUDNBSSA-N 2 0 194.322 1.613 10 0 ADAERP CC(C)[C@@]1([C@H]2CCCC[NH2+]2)CCC[NH2+]1 258020956 573436142 /nfs/dbraw/zinc/43/61/42/573436142.db2.gz BMZBVUOTZVLXGP-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP C1CCC(NCC[NH+]2CCCC2)=[NH+]C1 86455458 573436189 /nfs/dbraw/zinc/43/61/89/573436189.db2.gz HLOFIMHLARPTBK-UHFFFAOYSA-N 2 0 195.310 1.254 10 0 ADAERP C1C[C@@H]2C[N@H+](C3CC3)CC[C@@H]2C[NH2+]1 107227949 573436616 /nfs/dbraw/zinc/43/66/16/573436616.db2.gz XLIUKLFMHMIGBU-NXEZZACHSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@@H]1CC2(CC[NH2+]CC2)C[N@@H+]1C1CC1 107235769 573436827 /nfs/dbraw/zinc/43/68/27/573436827.db2.gz ZEPTUFHKXSMVMW-SNVBAGLBSA-N 2 0 194.322 1.613 10 0 ADAERP C[N@@H+]1CC[C@@H]([C@](C)(F)CC[NH3+])C1 257813099 573436631 /nfs/dbraw/zinc/43/66/31/573436631.db2.gz BWMJLVWHWOFKBK-RKDXNWHRSA-N 2 0 174.263 1.015 10 0 ADAERP [NH3+]CC[C@@H]1CCCC[N@@H+]2CCC[C@@H]12 257813145 573436661 /nfs/dbraw/zinc/43/66/61/573436661.db2.gz BYOQLRASHLAPDV-QWRGUYRKSA-N 2 0 182.311 1.600 10 0 ADAERP CC[C@@H](C[C@H]1CCC[NH2+]1)[NH+](C)C 259448431 573436664 /nfs/dbraw/zinc/43/66/64/573436664.db2.gz JDMQQXDGHRDDEK-ZJUUUORDSA-N 2 0 170.300 1.469 10 0 ADAERP C1C[C@@H]2C[N@H+](C3CC3)CC[C@H]2C[NH2+]1 107227953 573436690 /nfs/dbraw/zinc/43/66/90/573436690.db2.gz XLIUKLFMHMIGBU-VHSXEESVSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@@H]1C[C@@H](C[C@@H]2CCCC[NH2+]2)C[NH2+]1 258021017 573436696 /nfs/dbraw/zinc/43/66/96/573436696.db2.gz BNGXNQKSUAIZIN-VWYCJHECSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]([NH3+])[C@H](C)S[C@@H](C)[C@@H](C)[NH3+] 238395496 573436788 /nfs/dbraw/zinc/43/67/88/573436788.db2.gz SIVMWKCRBLJYOW-YWIQKCBGSA-N 2 0 176.329 1.191 10 0 ADAERP C[NH2+][C@H](C)[C@@H](C)CCc1nccn1C 126207004 573437400 /nfs/dbraw/zinc/43/74/00/573437400.db2.gz CFUJXRHWWUOXPA-VHSXEESVSA-N 2 0 195.310 1.597 10 0 ADAERP CCCC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](C)C1 308582085 573437419 /nfs/dbraw/zinc/43/74/19/573437419.db2.gz PUAZMAJTPMDOQH-NWDGAFQWSA-N 2 0 198.354 1.964 10 0 ADAERP C1C[N@@H+](C2CC2)CC2(C1)CC[NH2+]CC2 107235781 573437441 /nfs/dbraw/zinc/43/74/41/573437441.db2.gz FHRWXTDAPVYVKC-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C[C@@H]1C[NH2+]C(C)(C)C[C@@H](C)[NH2+]1 238395258 573437487 /nfs/dbraw/zinc/43/74/87/573437487.db2.gz FMOQQWIPJBEVPI-HTQZYQBOSA-N 2 0 156.273 1.125 10 0 ADAERP [NH3+]CC[C@H]1CCCC[N@@H+]2CCC[C@H]12 257813143 573437594 /nfs/dbraw/zinc/43/75/94/573437594.db2.gz BYOQLRASHLAPDV-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2[C@@H]1C 107229947 573437672 /nfs/dbraw/zinc/43/76/72/573437672.db2.gz HNCLMLWZPMIYCI-DCAQKATOSA-N 2 0 182.311 1.467 10 0 ADAERP C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCC2)C1 86455191 573437805 /nfs/dbraw/zinc/43/78/05/573437805.db2.gz HEWZANLYBWWYFI-JTQLQIEISA-N 2 0 195.310 1.110 10 0 ADAERP Cc1ccoc1CN(C)CC1C[NH2+]C1 308582431 573437855 /nfs/dbraw/zinc/43/78/55/573437855.db2.gz QALFCKRAHBJNGC-UHFFFAOYSA-N 2 0 194.278 1.239 10 0 ADAERP [NH3+]CC[C@H]1CCCC[N@@H+]2CCC[C@@H]12 257813144 573437920 /nfs/dbraw/zinc/43/79/20/573437920.db2.gz BYOQLRASHLAPDV-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CC[N@@H+]1C 107229762 573437928 /nfs/dbraw/zinc/43/79/28/573437928.db2.gz MSVZLCWABJJMPN-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@H]1[N@H+](C)CC[C@]12CCC[NH2+]C2 107229668 573438196 /nfs/dbraw/zinc/43/81/96/573438196.db2.gz XKJGUXZXXRHIDW-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]([NH2+]CC[C@H]1CC[N@H+](C)C1)C1CC1 308582448 573438306 /nfs/dbraw/zinc/43/83/06/573438306.db2.gz QBKGGEROLKTCDY-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP C1C[NH+]=C(N[C@H]2CC[N@@H+]3CCC[C@H]23)C1 86455141 573438351 /nfs/dbraw/zinc/43/83/51/573438351.db2.gz MJTQUOPEJYYSNO-VHSXEESVSA-N 2 0 193.294 1.005 10 0 ADAERP C[C@H]1C[C@@]2(CCC[NH2+]C2)CC[N@@H+]1C 107229699 573438379 /nfs/dbraw/zinc/43/83/79/573438379.db2.gz QHGQYHLOJZHDTM-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP [NH3+]C1CCC(C[NH2+][C@@H]2CCCO2)CC1 257812817 573438475 /nfs/dbraw/zinc/43/84/75/573438475.db2.gz AOAWKTVRDSUGSL-ILDUYXDCSA-N 2 0 198.310 1.230 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CC1 107227959 573438476 /nfs/dbraw/zinc/43/84/76/573438476.db2.gz GCRAWCALORWMCI-FBIMIBRVSA-N 2 0 180.295 1.079 10 0 ADAERP [NH3+]CC[C@@H]1CCCC[N@@H+]2CCC[C@H]12 257813146 573438491 /nfs/dbraw/zinc/43/84/91/573438491.db2.gz BYOQLRASHLAPDV-WDEREUQCSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@H]1C[C@]2(CCC[NH2+]C2)C[N@@H+]1C1CC1 107235742 573438519 /nfs/dbraw/zinc/43/85/19/573438519.db2.gz SJJMTASWYSEJAV-JQWIXIFHSA-N 2 0 194.322 1.613 10 0 ADAERP C[NH2+]CC[C@H]([NH3+])c1ccc(C)c(C)c1 259449440 573438529 /nfs/dbraw/zinc/43/85/29/573438529.db2.gz QJRKJIYCPVEAPU-LBPRGKRZSA-N 2 0 192.306 1.913 10 0 ADAERP [NH3+]Cc1ccccc1CC[NH+]1CCC1 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SUHLAADTTVQJGE-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1CC[N@H+](CC[C@H]([NH3+])C2CC2)C1 130044181 573442849 /nfs/dbraw/zinc/44/28/49/573442849.db2.gz PDZZJWFIKLBCET-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP CCC[N@@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259103149 573442884 /nfs/dbraw/zinc/44/28/84/573442884.db2.gz APPJHLMDXNNJJJ-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[C@H]([NH3+])C1CC([NH3+])C1 259103092 573442918 /nfs/dbraw/zinc/44/29/18/573442918.db2.gz BBXJHCFKFJJEIL-HACHORDNSA-N 2 0 156.273 1.097 10 0 ADAERP CCn1cc[nH+]c1NC(C)(C)CC[NH3+] 126242997 573442942 /nfs/dbraw/zinc/44/29/42/573442942.db2.gz WJOOUTZYSRTNFW-UHFFFAOYSA-N 2 0 196.298 1.442 10 0 ADAERP CC[C@@H](C[NH3+])[C@H](c1ccc[nH]1)[NH+](C)C 259450537 573442991 /nfs/dbraw/zinc/44/29/91/573442991.db2.gz JFNKIHWHYNROOC-GXSJLCMTSA-N 2 0 195.310 1.602 10 0 ADAERP CC(C)n1cc[nH+]c1N[C@H]1CC[NH2+]C1 258037689 573443794 /nfs/dbraw/zinc/44/37/94/573443794.db2.gz JANWEFLRZBZHJK-VIFPVBQESA-N 2 0 194.282 1.238 10 0 ADAERP 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CC[C@H](C[NH3+])[C@H](c1ccc[nH]1)[NH+](C)C 259450541 573444101 /nfs/dbraw/zinc/44/41/01/573444101.db2.gz JFNKIHWHYNROOC-MWLCHTKSSA-N 2 0 195.310 1.602 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2CC[NH2+]C[C@@H]2CC1 107237536 573444116 /nfs/dbraw/zinc/44/41/16/573444116.db2.gz WAKPCAUJTTVMPN-NEPJUHHUSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[N@@H+]1C[C@]2(CCC[NH2+]C2)C[C@@H]1C 107237446 573444156 /nfs/dbraw/zinc/44/41/56/573444156.db2.gz HLXIAVLPEGZJPH-NWDGAFQWSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[N@@H+]1CC2(CC[NH2+]CC2)C[C@H]1C 107237486 573444263 /nfs/dbraw/zinc/44/42/63/573444263.db2.gz CFRLZSKTMGWBTP-LLVKDONJSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H](C[NH3+])[C@H]([NH2+]C)C1CCCC1 259103198 573444278 /nfs/dbraw/zinc/44/42/78/573444278.db2.gz FETQNZGPFOSHET-ONGXEEELSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[C@H]1[N@H+](C)CCC12CC[NH2+]CC2 107237472 573444364 /nfs/dbraw/zinc/44/43/64/573444364.db2.gz WOMDBOZTBDWRCM-LLVKDONJSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H]([NH2+]C)C1CCCC1 259103187 573444440 /nfs/dbraw/zinc/44/44/40/573444440.db2.gz FETQNZGPFOSHET-GXSJLCMTSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1C[C@](CN)([NH2+]CCC2CC2)[C@@H]1C 308586397 573444532 /nfs/dbraw/zinc/44/45/32/573444532.db2.gz SDUGHTNMYAAEJL-CKYFFXLPSA-N 2 0 196.338 1.750 10 0 ADAERP C[C@H]([NH3+])C[C@H]([NH3+])C(C)(C)C 259103246 573444558 /nfs/dbraw/zinc/44/45/58/573444558.db2.gz BDEXHARGJLXGJP-BQBZGAKWSA-N 2 0 144.262 1.097 10 0 ADAERP CC[C@]1([C@H]2CCCC[NH2+]2)CCC[NH2+]1 258355531 573444582 /nfs/dbraw/zinc/44/45/82/573444582.db2.gz YWAVZUFTSIBNDP-GHMZBOCLSA-N 2 0 182.311 1.661 10 0 ADAERP C[C@H]1[C@H](C)C[C@]1(CN)[NH2+]CCC1CC1 308586399 573444621 /nfs/dbraw/zinc/44/46/21/573444621.db2.gz SDUGHTNMYAAEJL-JFGNBEQYSA-N 2 0 196.338 1.750 10 0 ADAERP CC[C@H](C[NH3+])[C@H]([NH2+]C)C1CCCC1 259103192 573444643 /nfs/dbraw/zinc/44/46/43/573444643.db2.gz FETQNZGPFOSHET-KOLCDFICSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@]1([C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258355533 573444736 /nfs/dbraw/zinc/44/47/36/573444736.db2.gz YWAVZUFTSIBNDP-QWRGUYRKSA-N 2 0 182.311 1.661 10 0 ADAERP C[NH2+]CC[C@H](C1CCCC1)[NH+](C)C 259450525 573444694 /nfs/dbraw/zinc/44/46/94/573444694.db2.gz JFKMBRRWPDKJHY-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@@H+]1C(C)C 107237573 573444805 /nfs/dbraw/zinc/44/48/05/573444805.db2.gz XRNGGIDXTGFEEG-TUAOUCFPSA-N 2 0 196.338 1.857 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C)C1 308589312 573449444 /nfs/dbraw/zinc/44/94/44/573449444.db2.gz JPDNCIZOBWFPLZ-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](C(C)(C)C[NH3+])C1 259449678 573447050 /nfs/dbraw/zinc/44/70/50/573447050.db2.gz LWGRWUMKFVXPFU-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[N@@H+]1CC2(CC[NH2+]CC2)C[C@@H]1C 107237489 573447092 /nfs/dbraw/zinc/44/70/92/573447092.db2.gz CFRLZSKTMGWBTP-NSHDSACASA-N 2 0 196.338 1.859 10 0 ADAERP Cc1nc(C2CC2)[nH]c1[C@H]1CC[NH2+]C1 257816384 573447098 /nfs/dbraw/zinc/44/70/98/573447098.db2.gz DKGQAPAQMVYUHV-VIFPVBQESA-N 2 0 191.278 1.672 10 0 ADAERP CN[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] 259449572 573447176 /nfs/dbraw/zinc/44/71/76/573447176.db2.gz NZUMCYMEAUMGNG-XCBNKYQSSA-N 2 0 182.242 1.433 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@@H+]1C(C)C 107237500 573447284 /nfs/dbraw/zinc/44/72/84/573447284.db2.gz SIYHUJBWEZBFPG-IJLUTSLNSA-N 2 0 196.338 1.715 10 0 ADAERP [NH3+]Cc1ccccc1[C@H]1CCC[NH2+]1 257816714 573447367 /nfs/dbraw/zinc/44/73/67/573447367.db2.gz DIXKGMVOYUBIHO-LLVKDONJSA-N 2 0 176.263 1.570 10 0 ADAERP CN[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] 259449570 573447413 /nfs/dbraw/zinc/44/74/13/573447413.db2.gz NZUMCYMEAUMGNG-GMSGAONNSA-N 2 0 182.242 1.433 10 0 ADAERP C[C@@H]1C[C@]2(CC[NH2+]C2)CC[N@@H+]1C 83270850 573447664 /nfs/dbraw/zinc/44/76/64/573447664.db2.gz DSVSZVBENOPDRD-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)[N@@H+]1CCC2(CC[NH2+]CC2)[C@H]1C 107237494 573447681 /nfs/dbraw/zinc/44/76/81/573447681.db2.gz SRYFDHRXPAHFFU-LLVKDONJSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@]1(CC[C@H]2CC[NH2+]C2)CCCC[NH2+]1 258348442 573447728 /nfs/dbraw/zinc/44/77/28/573447728.db2.gz YJCIAJRLZFKGCB-RYUDHWBXSA-N 2 0 196.338 1.908 10 0 ADAERP CC[C@@H]1[C@H]2C[NH2+]CC[C@@H]2C[N@@H+]1C(C)C 107237504 573447744 /nfs/dbraw/zinc/44/77/44/573447744.db2.gz SIYHUJBWEZBFPG-GRYCIOLGSA-N 2 0 196.338 1.715 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]2CCC[NH2+][C@@H]2CC1 107237615 573447773 /nfs/dbraw/zinc/44/77/73/573447773.db2.gz BPJXNFWRGMDFET-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H]1[N@H+](C)CCCC12CC[NH2+]CC2 107237480 573447803 /nfs/dbraw/zinc/44/78/03/573447803.db2.gz HECUYUITAURIQI-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)[N@@H+]1C[C@@]2(CCC[NH2+]C2)C[C@@H]1C 107237451 573447822 /nfs/dbraw/zinc/44/78/22/573447822.db2.gz HLXIAVLPEGZJPH-RYUDHWBXSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C)C1 308589305 573447824 /nfs/dbraw/zinc/44/78/24/573447824.db2.gz JPDNCIZOBWFPLZ-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)N(C)CC[NH2+]C[C@@]1(C)C[C@H]1C 714698251 573447844 /nfs/dbraw/zinc/44/78/44/573447844.db2.gz LIXSTAJXAFIZRW-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]2CCC[NH2+][C@@H]2CC1 107237612 573447883 /nfs/dbraw/zinc/44/78/83/573447883.db2.gz BPJXNFWRGMDFET-NWDGAFQWSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[C@@]1(C[NH+]2CCCC2)CCC[NH2+]1 258352270 573447914 /nfs/dbraw/zinc/44/79/14/573447914.db2.gz YOWMDDRLCGVPRH-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)[N@@H+]1C[C@]2(CCC[NH2+]C2)C[C@H]1C 107237442 573447928 /nfs/dbraw/zinc/44/79/28/573447928.db2.gz HLXIAVLPEGZJPH-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP C/C=C/CN(C)[C@@H](C)C[NH2+]C1CC1 714691977 573447929 /nfs/dbraw/zinc/44/79/29/573447929.db2.gz IIGZJDWFKNMHLT-YEZKRMTDSA-N 2 0 182.311 1.635 10 0 ADAERP CCC[N@@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259103154 573447956 /nfs/dbraw/zinc/44/79/56/573447956.db2.gz APPJHLMDXNNJJJ-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP Cn1c(C[NH2+]C2CCCC2)c[nH+]c1N 258352062 573447958 /nfs/dbraw/zinc/44/79/58/573447958.db2.gz YOPUPWONTPXEJI-UHFFFAOYSA-N 2 0 194.282 1.035 10 0 ADAERP C[N@@H+]1CC[C@H](C/C=C\CC[NH3+])C1 258346564 573450997 /nfs/dbraw/zinc/45/09/97/573450997.db2.gz YFFOKKNLILESOV-ZMWSMAPVSA-N 2 0 168.284 1.233 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258350324 573448050 /nfs/dbraw/zinc/44/80/50/573448050.db2.gz YLVJWUDIKUXSLJ-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H]([NH3+])C(C)C 259449714 573448226 /nfs/dbraw/zinc/44/82/26/573448226.db2.gz OATPWDLPZRIBHZ-ZJUUUORDSA-N 2 0 172.316 1.461 10 0 ADAERP Cc1nc(C2CC2)[nH]c1[C@@H]1CC[NH2+]C1 257816383 573448247 /nfs/dbraw/zinc/44/82/47/573448247.db2.gz DKGQAPAQMVYUHV-SECBINFHSA-N 2 0 191.278 1.672 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[NH2+][C@@H](C)C1 258350327 573448346 /nfs/dbraw/zinc/44/83/46/573448346.db2.gz YLVJWUDIKUXSLJ-SDDRHHMPSA-N 2 0 196.338 1.859 10 0 ADAERP C[N@@H+]1CC[C@@H](C/C=C\CC[NH3+])C1 258346562 573448387 /nfs/dbraw/zinc/44/83/87/573448387.db2.gz YFFOKKNLILESOV-MXQLGCADSA-N 2 0 168.284 1.233 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)C1 308589310 573448434 /nfs/dbraw/zinc/44/84/34/573448434.db2.gz JPDNCIZOBWFPLZ-TUAOUCFPSA-N 2 0 196.338 1.716 10 0 ADAERP C/C=C\CN(C)[C@H](C)C[NH2+]C1CC1 714691974 573448549 /nfs/dbraw/zinc/44/85/49/573448549.db2.gz IIGZJDWFKNMHLT-UMCURTJPSA-N 2 0 182.311 1.635 10 0 ADAERP C[C@]1(CC2CC[NH2+]CC2)CCC[NH2+]1 258352371 573448590 /nfs/dbraw/zinc/44/85/90/573448590.db2.gz YQGHNBVSSDNADM-LLVKDONJSA-N 2 0 182.311 1.518 10 0 ADAERP CC(C)C[C@H]1[C@@H](C[NH3+])C2CC[NH+]1CC2 258037741 573448634 /nfs/dbraw/zinc/44/86/34/573448634.db2.gz JBQRLVCBFUSPOH-RYUDHWBXSA-N 2 0 196.338 1.702 10 0 ADAERP CC(C)N(C)CC[NH2+]C[C@]1(C)C[C@H]1C 714698246 573448657 /nfs/dbraw/zinc/44/86/57/573448657.db2.gz LIXSTAJXAFIZRW-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@H]([NH3+])C(C)C 259449711 573448723 /nfs/dbraw/zinc/44/87/23/573448723.db2.gz OATPWDLPZRIBHZ-VHSXEESVSA-N 2 0 172.316 1.461 10 0 ADAERP CCC[N@@H+]1C[C@H](N)CC1(C)C 258654098 573448731 /nfs/dbraw/zinc/44/87/31/573448731.db2.gz DOYULKNYWPUPGN-MRVPVSSYSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@@H]([NH3+])C(C)C 259449709 573448761 /nfs/dbraw/zinc/44/87/61/573448761.db2.gz OATPWDLPZRIBHZ-UWVGGRQHSA-N 2 0 172.316 1.461 10 0 ADAERP C[C@@H]1CCC2(CC[C@@H](C)[NH2+]C2)C[NH2+]1 238399027 573448825 /nfs/dbraw/zinc/44/88/25/573448825.db2.gz TWAQYCNGJIRYLK-DIOIDXFWSA-N 2 0 182.311 1.517 10 0 ADAERP CN[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] 259449571 573448953 /nfs/dbraw/zinc/44/89/53/573448953.db2.gz NZUMCYMEAUMGNG-OIBJUYFYSA-N 2 0 182.242 1.433 10 0 ADAERP CCC[N@@H+]1C[C@H](C[NH3+])CCC1(C)C 259450195 573449075 /nfs/dbraw/zinc/44/90/75/573449075.db2.gz PDTOWOWCZBAYNL-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H]1CCC[C@@H](N(C)C)[NH2+]1 107259593 573449115 /nfs/dbraw/zinc/44/91/15/573449115.db2.gz GIVFSFPEJUBXDA-HTQZYQBOSA-N 2 0 142.246 1.036 10 0 ADAERP C[NH+](C)[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 107258346 573451659 /nfs/dbraw/zinc/45/16/59/573451659.db2.gz JXDOYCCTVYOFOC-HBNTYKKESA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H](CNC(=[NH2+])C(C)(C)C)C[NH+](C)C 308588878 573449293 /nfs/dbraw/zinc/44/92/93/573449293.db2.gz UGFKSRFCPNJUBB-VIFPVBQESA-N 2 0 199.342 1.797 10 0 ADAERP CC[N@@H+]1CCCC[C@@H]1[C@H]1C[NH2+][C@@H](C)C1 258350326 573449342 /nfs/dbraw/zinc/44/93/42/573449342.db2.gz YLVJWUDIKUXSLJ-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@]1(CC[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 258348443 573449522 /nfs/dbraw/zinc/44/95/22/573449522.db2.gz YJCIAJRLZFKGCB-VXGBXAGGSA-N 2 0 196.338 1.908 10 0 ADAERP Cc1cc(C)c(CC[NH3+])cc1CC[NH3+] 78094090 573449678 /nfs/dbraw/zinc/44/96/78/573449678.db2.gz FBARPTWKDYGCSF-UHFFFAOYSA-N 2 0 192.306 1.306 10 0 ADAERP C/C=C/CN(C)[C@H](C)C[NH2+]C1CC1 714691971 573449689 /nfs/dbraw/zinc/44/96/89/573449689.db2.gz IIGZJDWFKNMHLT-ORAHPGNNSA-N 2 0 182.311 1.635 10 0 ADAERP CCC[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259450198 573449758 /nfs/dbraw/zinc/44/97/58/573449758.db2.gz PDTOWOWCZBAYNL-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1C[C@@]2(CC[NH2+]C2)CC[N@@H+]1C 83270849 573449839 /nfs/dbraw/zinc/44/98/39/573449839.db2.gz DSVSZVBENOPDRD-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@H]1CCC[C@@H](N(C)C)[NH2+]1 107259597 573449908 /nfs/dbraw/zinc/44/99/08/573449908.db2.gz GIVFSFPEJUBXDA-JGVFFNPUSA-N 2 0 142.246 1.036 10 0 ADAERP C[C@H](CNC(=[NH2+])C(C)(C)C)C[NH+](C)C 308588877 573449944 /nfs/dbraw/zinc/44/99/44/573449944.db2.gz UGFKSRFCPNJUBB-SECBINFHSA-N 2 0 199.342 1.797 10 0 ADAERP C[C@H]1C[C@]2(CC[NH2+]C2)CC[N@@H+]1C 83270851 573449971 /nfs/dbraw/zinc/44/99/71/573449971.db2.gz DSVSZVBENOPDRD-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@@]1(C)C[NH2+]CC[C@H]1[NH+](C)C 142551226 573450101 /nfs/dbraw/zinc/45/01/01/573450101.db2.gz ZOHCCEOISYCJEH-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC(C)C[C@H]1[C@H](C[NH3+])C2CC[NH+]1CC2 258037734 573450174 /nfs/dbraw/zinc/45/01/74/573450174.db2.gz 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257814188 573459027 /nfs/dbraw/zinc/45/90/27/573459027.db2.gz CJXCUCRMRLZKGR-SSDOTTSWSA-N 2 0 196.216 1.219 10 0 ADAERP C[C@@H]1CC[N@H+](C)[C@@H]1[C@@H]1CCC[NH2+]C1 107264919 573459081 /nfs/dbraw/zinc/45/90/81/573459081.db2.gz IWRHCAFPZJSIBC-MXWKQRLJSA-N 2 0 182.311 1.326 10 0 ADAERP C1CC[C@H]([NH2+]CC2CC[NH2+]CC2)OC1 257818033 573459266 /nfs/dbraw/zinc/45/92/66/573459266.db2.gz CNXNCNSVYCYXIP-LLVKDONJSA-N 2 0 198.310 1.102 10 0 ADAERP Cc1ccoc1C[NH2+]C[C@@H](C)[C@@H](C)[NH3+] 308592095 573459272 /nfs/dbraw/zinc/45/92/72/573459272.db2.gz WCNZERRQPDPQCS-NXEZZACHSA-N 2 0 196.294 1.661 10 0 ADAERP C[C@H](C[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 257814020 573459291 /nfs/dbraw/zinc/45/92/91/573459291.db2.gz CIKPZTXSNLFNTM-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+]CC/C=C\C[C@H]1CCCC[NH2+]1 258367406 573462316 /nfs/dbraw/zinc/46/23/16/573462316.db2.gz ZWJBESYRFVYHIY-QUCGXOGASA-N 2 0 182.311 1.684 10 0 ADAERP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC1 86496138 573463911 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FCOLGVPWRUGLPG-GRYCIOLGSA-N 2 0 194.322 1.313 10 0 ADAERP [NH3+]C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C2CC2)C1 715152710 573461831 /nfs/dbraw/zinc/46/18/31/573461831.db2.gz FCOLGVPWRUGLPG-WOPDTQHZSA-N 2 0 194.322 1.313 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]CC[C@H]([NH3+])C1CC1 130087101 573461846 /nfs/dbraw/zinc/46/18/46/573461846.db2.gz VRMIPCWIJUFSDF-JEZHCXPESA-N 2 0 168.284 1.112 10 0 ADAERP CC[C@@H](C)C[NH2+]CC[C@H]([NH3+])C1CC1 130089248 573461896 /nfs/dbraw/zinc/46/18/96/573461896.db2.gz RLYSCJATQLJNTJ-KOLCDFICSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]([C@H](F)C[NH3+])C1 257815391 573461903 /nfs/dbraw/zinc/46/19/03/573461903.db2.gz CTGCLASDQNUJSV-RKDXNWHRSA-N 2 0 174.263 1.014 10 0 ADAERP CC1(C)CO[C@](C)(C[C@H]2CC[NH2+]C2)[NH2+]1 258380025 573462120 /nfs/dbraw/zinc/46/21/20/573462120.db2.gz HFFJXGFEFNMDKR-MWLCHTKSSA-N 2 0 198.310 1.101 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1[C@@H]1CCC[NH2+]1 238404060 573462154 /nfs/dbraw/zinc/46/21/54/573462154.db2.gz WADBWRQBRHNRPO-KXUCPTDWSA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 107270383 573462282 /nfs/dbraw/zinc/46/22/82/573462282.db2.gz ZLWFSTCUDMKSBQ-MRVPVSSYSA-N 2 0 192.253 1.311 10 0 ADAERP CC1(C)CO[C@@](C)(C[C@@H]2CC[NH2+]C2)[NH2+]1 258380029 573462480 /nfs/dbraw/zinc/46/24/80/573462480.db2.gz HFFJXGFEFNMDKR-ONGXEEELSA-N 2 0 198.310 1.101 10 0 ADAERP CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 86494691 573462698 /nfs/dbraw/zinc/46/26/98/573462698.db2.gz HYCJMWWGSWDPHY-BDAKNGLRSA-N 2 0 156.273 1.127 10 0 ADAERP [NH3+][C@H](CC[NH2+]C1CCC1)C1CC1 130086892 573462746 /nfs/dbraw/zinc/46/27/46/573462746.db2.gz BDODIVASDANPHB-SNVBAGLBSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([C@H](C)C[NH3+])C1 259459143 573462839 /nfs/dbraw/zinc/46/28/39/573462839.db2.gz MRODFDXNYBYPDO-ZJUUUORDSA-N 2 0 170.300 1.312 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86494096 573463258 /nfs/dbraw/zinc/46/32/58/573463258.db2.gz BNBZOLCUBNNMMJ-AEJSXWLSSA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+]CC[C@@]1(c2ccc(F)cc2)CC[NH2+]1 258376660 573463437 /nfs/dbraw/zinc/46/34/37/573463437.db2.gz XMUFKNSUXOOMEZ-NSHDSACASA-N 2 0 194.253 1.363 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([C@@H](F)C[NH3+])C1 257815388 573463596 /nfs/dbraw/zinc/46/35/96/573463596.db2.gz CTGCLASDQNUJSV-IUCAKERBSA-N 2 0 174.263 1.014 10 0 ADAERP [NH3+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 86498116 573463600 /nfs/dbraw/zinc/46/36/00/573463600.db2.gz PJGJZGCHCQGQOQ-BBBLOLIVSA-N 2 0 168.284 1.256 10 0 ADAERP [NH3+]C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C2CC2)C1 715152700 573463603 /nfs/dbraw/zinc/46/36/03/573463603.db2.gz FCOLGVPWRUGLPG-SRVKXCTJSA-N 2 0 194.322 1.313 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1C[C@@H]1CCCC[NH2+]1 238404023 573463635 /nfs/dbraw/zinc/46/36/35/573463635.db2.gz RHCMACPGKIBGJK-WOPDTQHZSA-N 2 0 196.338 1.907 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@H](CC[NH3+])C1 107269439 573463696 /nfs/dbraw/zinc/46/36/96/573463696.db2.gz AAAFPYWIIMNFSZ-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CC1(C)CO[C@](C)(C[C@@H]2CC[NH2+]C2)[NH2+]1 258380021 573463703 /nfs/dbraw/zinc/46/37/03/573463703.db2.gz HFFJXGFEFNMDKR-GXSJLCMTSA-N 2 0 198.310 1.101 10 0 ADAERP [NH3+][C@@H](CC[NH2+]C1CCC1)C1CC1 130086663 573463757 /nfs/dbraw/zinc/46/37/57/573463757.db2.gz BDODIVASDANPHB-JTQLQIEISA-N 2 0 168.284 1.256 10 0 ADAERP NC(=[NH2+])CC[N@@H+]1C[C@H]2CCCCC[C@H]21 687960279 573463795 /nfs/dbraw/zinc/46/37/95/573463795.db2.gz WHMGBZWTHVPUKI-NXEZZACHSA-N 2 0 195.310 1.577 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC[C@H]([NH3+])C1CC1 130078559 573463947 /nfs/dbraw/zinc/46/39/47/573463947.db2.gz HVXMFZPSOPZTOV-VHSXEESVSA-N 2 0 182.311 1.502 10 0 ADAERP C[NH+](C)CCCC1([NH3+])CCCCC1 258036470 573464035 /nfs/dbraw/zinc/46/40/35/573464035.db2.gz OGCBRHQZOSYWFI-UHFFFAOYSA-N 2 0 184.327 1.990 10 0 ADAERP C[C@@]1([C@H]2CC[NH2+]C2)CCCC[NH2+]1 258037427 573464041 /nfs/dbraw/zinc/46/40/41/573464041.db2.gz CKSGBHFMLCUEIH-UWVGGRQHSA-N 2 0 168.284 1.128 10 0 ADAERP Cc1ccsc1CC[NH2+]CCC[NH3+] 258662162 573464191 /nfs/dbraw/zinc/46/41/91/573464191.db2.gz BVFPTDVIRGMEFH-UHFFFAOYSA-N 2 0 198.335 1.537 10 0 ADAERP C[C@]1([C@@H]2CC[NH2+]C2)CCCC[NH2+]1 258037425 573464283 /nfs/dbraw/zinc/46/42/83/573464283.db2.gz CKSGBHFMLCUEIH-NXEZZACHSA-N 2 0 168.284 1.128 10 0 ADAERP C[C@@]1([C@@H]2CC[NH2+]C2)CCCC[NH2+]1 258037431 573464361 /nfs/dbraw/zinc/46/43/61/573464361.db2.gz CKSGBHFMLCUEIH-ZJUUUORDSA-N 2 0 168.284 1.128 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1[C@@H]1CCCC[NH2+]1 238404043 573464404 /nfs/dbraw/zinc/46/44/04/573464404.db2.gz PFEBZWRSXGVIMZ-OUAUKWLOSA-N 2 0 182.311 1.517 10 0 ADAERP CC[N@@H+]1CCC[C@H](/C=C\CC[NH3+])C1 258037335 573464474 /nfs/dbraw/zinc/46/44/74/573464474.db2.gz CIBLVFIMBBQNJL-UUSYTGMJSA-N 2 0 182.311 1.623 10 0 ADAERP CC(C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 86494149 573464482 /nfs/dbraw/zinc/46/44/82/573464482.db2.gz BCLNZSZSYLZACZ-SDDRHHMPSA-N 2 0 196.338 1.905 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC[C@@H]([NH3+])C1CC1 130079044 573464494 /nfs/dbraw/zinc/46/44/94/573464494.db2.gz HVXMFZPSOPZTOV-NXEZZACHSA-N 2 0 182.311 1.502 10 0 ADAERP NC(=[NH2+])CC[N@@H+]1C[C@@H]2CCCCC[C@H]21 687960300 573464526 /nfs/dbraw/zinc/46/45/26/573464526.db2.gz WHMGBZWTHVPUKI-VHSXEESVSA-N 2 0 195.310 1.577 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])[C@@H]1CCC[NH2+]C1 259461984 573464530 /nfs/dbraw/zinc/46/45/30/573464530.db2.gz RCCZGYYJCCMJJJ-BDAKNGLRSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C)C[NH2+]CC[C@H]([NH3+])C1CC1 130089462 573464570 /nfs/dbraw/zinc/46/45/70/573464570.db2.gz RLYSCJATQLJNTJ-ONGXEEELSA-N 2 0 184.327 1.750 10 0 ADAERP [NH3+][C@@H](c1ccc(Cl)cc1)C1C[NH2+]C1 259463712 573464650 /nfs/dbraw/zinc/46/46/50/573464650.db2.gz REMZTJCPSNOOOM-JTQLQIEISA-N 2 0 196.681 1.559 10 0 ADAERP CC(C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86494145 573464662 /nfs/dbraw/zinc/46/46/62/573464662.db2.gz BCLNZSZSYLZACZ-GRYCIOLGSA-N 2 0 196.338 1.905 10 0 ADAERP NC(=[NH2+])CC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687960293 573464669 /nfs/dbraw/zinc/46/46/69/573464669.db2.gz WHMGBZWTHVPUKI-UWVGGRQHSA-N 2 0 195.310 1.577 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]CC[C@H]([NH3+])C1CC1 130087508 573464720 /nfs/dbraw/zinc/46/47/20/573464720.db2.gz VRMIPCWIJUFSDF-FKTZTGRPSA-N 2 0 168.284 1.112 10 0 ADAERP CC[N@@H+]1CCC[C@@H](/C=C\CC[NH3+])C1 258037337 573464827 /nfs/dbraw/zinc/46/48/27/573464827.db2.gz CIBLVFIMBBQNJL-ZTYXWKCZSA-N 2 0 182.311 1.623 10 0 ADAERP CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 86494696 573464849 /nfs/dbraw/zinc/46/48/49/573464849.db2.gz HYCJMWWGSWDPHY-RKDXNWHRSA-N 2 0 156.273 1.127 10 0 ADAERP CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 86498138 573464883 /nfs/dbraw/zinc/46/48/83/573464883.db2.gz PMWHQRFNZSLILQ-TUAOUCFPSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C1CC1 86498545 573465345 /nfs/dbraw/zinc/46/53/45/573465345.db2.gz BIIGADOVWMUERB-ONGXEEELSA-N 2 0 182.311 1.659 10 0 ADAERP C[NH+](C)[C@@H](C1C[NH2+]C1)C(C)(C)C 259462175 573465378 /nfs/dbraw/zinc/46/53/78/573465378.db2.gz JSNQFNDEQGAVRO-VIFPVBQESA-N 2 0 170.300 1.182 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC[C@H]([NH3+])C1CC1 130078368 573465382 /nfs/dbraw/zinc/46/53/82/573465382.db2.gz HVXMFZPSOPZTOV-UWVGGRQHSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])[C@H]1CCC[NH2+]C1 259461989 573465392 /nfs/dbraw/zinc/46/53/92/573465392.db2.gz RCCZGYYJCCMJJJ-IUCAKERBSA-N 2 0 170.300 1.359 10 0 ADAERP C[NH2+]C[C@@H]1C[N@H+](C2CC2)C(C)(C)C1 259461246 573465405 /nfs/dbraw/zinc/46/54/05/573465405.db2.gz QCOJTXQJZVAQPO-SECBINFHSA-N 2 0 182.311 1.469 10 0 ADAERP C[N@@H+]1CCC[C@H](C[C@@](C)(F)C[NH3+])C1 257820671 573465435 /nfs/dbraw/zinc/46/54/35/573465435.db2.gz FUNGRJFTMGBREC-NXEZZACHSA-N 2 0 188.290 1.405 10 0 ADAERP CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 86498142 573465532 /nfs/dbraw/zinc/46/55/32/573465532.db2.gz PMWHQRFNZSLILQ-UTUOFQBUSA-N 2 0 196.338 1.907 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C(C)(C)C 107273852 573465605 /nfs/dbraw/zinc/46/56/05/573465605.db2.gz GGLDARBXQVZMFD-RKDXNWHRSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)C[NH2+]CC(C)(C)CC[NH3+] 258660177 573465689 /nfs/dbraw/zinc/46/56/89/573465689.db2.gz GMPLDKUFONIXNA-UHFFFAOYSA-N 2 0 172.316 1.607 10 0 ADAERP CC(C)(C)[C@H]([NH3+])[C@H]1CCC[NH2+]C1 259461986 573465763 /nfs/dbraw/zinc/46/57/63/573465763.db2.gz RCCZGYYJCCMJJJ-DTWKUNHWSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@@H]1C[C@@H](C[C@@H]2CC[N@H+](C)C2)C[NH2+]1 258357427 573465773 /nfs/dbraw/zinc/46/57/73/573465773.db2.gz YZKVYRBQUPEAJG-VWYCJHECSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+]C[C@H]1CC[N@H+](C)C(C)(C)C1 259461238 573465841 /nfs/dbraw/zinc/46/58/41/573465841.db2.gz QCLABIQMSDINRU-VIFPVBQESA-N 2 0 170.300 1.326 10 0 ADAERP NC(=[NH2+])CN1C[C@@H]2CCCCC[C@H]21 687954167 573465908 /nfs/dbraw/zinc/46/59/08/573465908.db2.gz CHIWQYSOTVKNAA-DTWKUNHWSA-N 2 0 181.283 1.187 10 0 ADAERP C[C@@H]1C[C@H](C[C@H]2CC[N@H+](C)C2)C[NH2+]1 258357424 573465933 /nfs/dbraw/zinc/46/59/33/573465933.db2.gz YZKVYRBQUPEAJG-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1/C=C\CC[NH3+] 258357450 573466014 /nfs/dbraw/zinc/46/60/14/573466014.db2.gz YZVDRDXQIWJOPD-NWPZZWLHSA-N 2 0 168.284 1.376 10 0 ADAERP NC(=[NH2+])CC[N@@H+]1C[C@H]2CCCCC[C@@H]21 687960308 573466056 /nfs/dbraw/zinc/46/60/56/573466056.db2.gz WHMGBZWTHVPUKI-ZJUUUORDSA-N 2 0 195.310 1.577 10 0 ADAERP CC[NH2+][C@H](C)[C@H](F)[C@@H]1CCC[NH2+]C1 158277791 573466080 /nfs/dbraw/zinc/46/60/80/573466080.db2.gz VISKWNFDCNJRHI-BBBLOLIVSA-N 2 0 188.290 1.322 10 0 ADAERP C[NH2+]CCC[C@@H](C(C)C)[NH+](C)C 259462260 573466117 /nfs/dbraw/zinc/46/61/17/573466117.db2.gz JUKKSXHKSXDTNC-JTQLQIEISA-N 2 0 172.316 1.572 10 0 ADAERP CCC[C@H]([NH3+])CC1CC[NH2+]CC1 259463703 573466122 /nfs/dbraw/zinc/46/61/22/573466122.db2.gz REEYUGTXUMFNJX-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)[C@H](C)C[NH2+]CC[C@H]([NH3+])C1CC1 130114915 573466967 /nfs/dbraw/zinc/46/69/67/573466967.db2.gz GAQFXIJSRUGUTO-PWSUYJOCSA-N 2 0 198.354 1.996 10 0 ADAERP C[C@@H]1C[C@H](C[C@@H]2CC[N@H+](C)C2)C[NH2+]1 258357426 573466216 /nfs/dbraw/zinc/46/62/16/573466216.db2.gz YZKVYRBQUPEAJG-OUAUKWLOSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+]CCC[C@H](C(C)C)[NH+](C)C 259462262 573466457 /nfs/dbraw/zinc/46/64/57/573466457.db2.gz JUKKSXHKSXDTNC-SNVBAGLBSA-N 2 0 172.316 1.572 10 0 ADAERP CC(C)[N@@H+]1CCC[NH2+]CC[C@@H]1C 259461225 573466467 /nfs/dbraw/zinc/46/64/67/573466467.db2.gz QBXOVMHSMBAJNH-JTQLQIEISA-N 2 0 170.300 1.469 10 0 ADAERP Cc1[nH]c(C)c(CCC2([NH3+])CC2)[nH+]1 257815805 573466529 /nfs/dbraw/zinc/46/65/29/573466529.db2.gz CYZIZNMIKIORAP-UHFFFAOYSA-N 2 0 179.267 1.450 10 0 ADAERP C[C@@H](c1cc(C[NH3+])n(C)c1)[NH+](C)C 257815764 573466567 /nfs/dbraw/zinc/46/65/67/573466567.db2.gz CXOQYXOGDPICQW-QMMMGPOBSA-N 2 0 181.283 1.106 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@H+](C)C(C)(C)C1 259461237 573466606 /nfs/dbraw/zinc/46/66/06/573466606.db2.gz QCLABIQMSDINRU-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH+](C)[C@H](C1C[NH2+]C1)C(C)(C)C 259462174 573466619 /nfs/dbraw/zinc/46/66/19/573466619.db2.gz JSNQFNDEQGAVRO-SECBINFHSA-N 2 0 170.300 1.182 10 0 ADAERP CC1(C)CN[C@](C)(C[C@@H]2CCC[NH2+]2)O1 258357621 573466681 /nfs/dbraw/zinc/46/66/81/573466681.db2.gz GBQQQUKKQAHZEG-ONGXEEELSA-N 2 0 198.310 1.243 10 0 ADAERP CCC[C@@H]([NH3+])CC1CC[NH2+]CC1 259463704 573466725 /nfs/dbraw/zinc/46/67/25/573466725.db2.gz REEYUGTXUMFNJX-SNVBAGLBSA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)(C)[C@H]([NH3+])[C@@H]1CCC[NH2+]C1 259461990 573466818 /nfs/dbraw/zinc/46/68/18/573466818.db2.gz RCCZGYYJCCMJJJ-RKDXNWHRSA-N 2 0 170.300 1.359 10 0 ADAERP C[N@@H+]1CCC[C@@H](C[C@@](C)(F)C[NH3+])C1 257820673 573466878 /nfs/dbraw/zinc/46/68/78/573466878.db2.gz FUNGRJFTMGBREC-VHSXEESVSA-N 2 0 188.290 1.405 10 0 ADAERP C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 86500460 573470937 /nfs/dbraw/zinc/47/09/37/573470937.db2.gz WZKDMYROEPGLLT-ZJUUUORDSA-N 2 0 170.300 1.517 10 0 ADAERP C[NH2+]C[C@@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 126285104 573470973 /nfs/dbraw/zinc/47/09/73/573470973.db2.gz HBJLOCCMGRCRRF-UTUOFQBUSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@H](CC[NH3+])C[N@@H+]1CC[C@H]2CCC[C@H]21 393522572 573471303 /nfs/dbraw/zinc/47/13/03/573471303.db2.gz PVVCLUTYCYGKTR-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H](C[NH3+])[C@@H](c1cccs1)[NH+](C)C 259466166 573471323 /nfs/dbraw/zinc/47/13/23/573471323.db2.gz JXQHSCALQGUBPI-WPRPVWTQSA-N 2 0 198.335 1.946 10 0 ADAERP CC[NH+](CC)Cc1ccncc1C[NH3+] 257820721 573471633 /nfs/dbraw/zinc/47/16/33/573471633.db2.gz FWLUYHQPXDNHBU-UHFFFAOYSA-N 2 0 193.294 1.382 10 0 ADAERP C[NH+]1CCC(C(F)(F)CC[NH3+])CC1 107282128 573471731 /nfs/dbraw/zinc/47/17/31/573471731.db2.gz PQVWBULDEIWVOU-UHFFFAOYSA-N 2 0 192.253 1.312 10 0 ADAERP CO[C@@H]([NH3+])c1ccc2[nH]c(C)nc2c1 259466499 573476463 /nfs/dbraw/zinc/47/64/63/573476463.db2.gz OYYJNZBIYTTYPT-SNVBAGLBSA-N 2 0 191.234 1.475 10 0 ADAERP CCC[C@H](C[C@H]1CCC[NH2+]C1)[NH2+]C 259466484 573477663 /nfs/dbraw/zinc/47/76/63/573477663.db2.gz PWJKAZCQWOVGGT-GHMZBOCLSA-N 2 0 184.327 1.764 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1CC[NH+]1CCCC1 86530791 573476536 /nfs/dbraw/zinc/47/65/36/573476536.db2.gz LQHWGYGNOOUVBK-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@@H](CC[NH3+])C[N@H+]1C[C@H]2CCC[C@H]2C1 126293663 573476795 /nfs/dbraw/zinc/47/67/95/573476795.db2.gz XVWSLAMZOWWQKK-SDDRHHMPSA-N 2 0 196.338 1.703 10 0 ADAERP CCC[C@H]([C@H]1CCC[NH2+]C1)[NH+](C)C 259464350 573479961 /nfs/dbraw/zinc/47/99/61/573479961.db2.gz JXNPSGJMOWYYFX-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CC[NH2+]C1)C1CCC1 259100618 573477401 /nfs/dbraw/zinc/47/74/01/573477401.db2.gz AHVZPVPURBEFLN-GXSJLCMTSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H](CC[NH3+])C[N@H+]1C[C@H]2CCC[C@H]2C1 126293857 573476015 /nfs/dbraw/zinc/47/60/15/573476015.db2.gz XVWSLAMZOWWQKK-UTUOFQBUSA-N 2 0 196.338 1.703 10 0 ADAERP C[C@H]1CCC[C@H]1[NH+]1CCC(C[NH3+])CC1 83394187 573476203 /nfs/dbraw/zinc/47/62/03/573476203.db2.gz WIYPROVZKMQZAJ-CMPLNLGQSA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)CC[C@]1(CN)[NH2+]CCC1CC1 308585593 573476235 /nfs/dbraw/zinc/47/62/35/573476235.db2.gz IEQFPRVHMTXMEJ-GFCCVEGCSA-N 2 0 196.338 1.894 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@H]1CCC[NH2+]1 257818412 573476280 /nfs/dbraw/zinc/47/62/80/573476280.db2.gz DYUJTRLVUWEDMQ-GHMZBOCLSA-N 2 0 184.327 1.859 10 0 ADAERP CCCC(C)(C)C[NH2+]C[C@@H](C)[NH3+] 258665954 573476369 /nfs/dbraw/zinc/47/63/69/573476369.db2.gz CCBYCOIZWNSXLH-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@@H]1CCC[NH2+]1 257818414 573476502 /nfs/dbraw/zinc/47/65/02/573476502.db2.gz DYUJTRLVUWEDMQ-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H]1CCC[C@@H]1[NH+]1CCC(C[NH3+])CC1 83394184 573476626 /nfs/dbraw/zinc/47/66/26/573476626.db2.gz WIYPROVZKMQZAJ-PWSUYJOCSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+][C@H](CC[C@@H](C)[NH3+])c1ccc[nH]1 259100631 573476734 /nfs/dbraw/zinc/47/67/34/573476734.db2.gz AHZMYLWAUDVKLN-RKDXNWHRSA-N 2 0 181.283 1.403 10 0 ADAERP C[NH2+][C@H](C[C@H]1CC[NH2+]C1)C1CCC1 259100622 573477342 /nfs/dbraw/zinc/47/73/42/573477342.db2.gz AHVZPVPURBEFLN-MWLCHTKSSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)CC[C@@]1(CN)[NH2+]CCC1CC1 308585594 573476925 /nfs/dbraw/zinc/47/69/25/573476925.db2.gz IEQFPRVHMTXMEJ-LBPRGKRZSA-N 2 0 196.338 1.894 10 0 ADAERP CCCC(C)(C)C[NH2+]C[C@H](C)[NH3+] 258665956 573477029 /nfs/dbraw/zinc/47/70/29/573477029.db2.gz CCBYCOIZWNSXLH-VIFPVBQESA-N 2 0 172.316 1.750 10 0 ADAERP C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](C[NH3+])C1 83394192 573477085 /nfs/dbraw/zinc/47/70/85/573477085.db2.gz GWFKNANEIRWJCR-IJLUTSLNSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)([NH3+])C[C@@H]([NH3+])c1ccncc1 259467400 573477221 /nfs/dbraw/zinc/47/72/21/573477221.db2.gz RKLZLSJTPUUBGQ-SECBINFHSA-N 2 0 179.267 1.209 10 0 ADAERP C[NH2+]CC1(C[NH2+]CC(C)C)CCC1 258667147 573477232 /nfs/dbraw/zinc/47/72/32/573477232.db2.gz OBRDXNPSUHHETB-UHFFFAOYSA-N 2 0 184.327 1.622 10 0 ADAERP C[NH2+][C@H](C1CCCC1)C1(C[NH3+])CC1 259466340 573477255 /nfs/dbraw/zinc/47/72/55/573477255.db2.gz PUVOCQFMRQICBO-SNVBAGLBSA-N 2 0 182.311 1.504 10 0 ADAERP Cc1ccc([C@H]([NH3+])[C@H](C)C[NH3+])cc1 259100677 573477414 /nfs/dbraw/zinc/47/74/14/573477414.db2.gz AXALVGVUWQEFRU-MWLCHTKSSA-N 2 0 178.279 1.590 10 0 ADAERP FC1(C[NH2+]C2CCC2)CC[NH2+]CC1 257818446 573477492 /nfs/dbraw/zinc/47/74/92/573477492.db2.gz DZGDZXISFROWKI-UHFFFAOYSA-N 2 0 186.274 1.220 10 0 ADAERP C[NH2+][C@H](c1cccs1)C1CC([NH3+])C1 259464765 573477529 /nfs/dbraw/zinc/47/75/29/573477529.db2.gz PTEPBELOUOXMJS-KTOWXAHTSA-N 2 0 196.319 1.746 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@@H]1CCC[NH2+]1 257818415 573477658 /nfs/dbraw/zinc/47/76/58/573477658.db2.gz DYUJTRLVUWEDMQ-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@H]1CCC[NH2+]1 257818417 573477614 /nfs/dbraw/zinc/47/76/14/573477614.db2.gz DYUJTRLVUWEDMQ-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)C1 83390564 573477904 /nfs/dbraw/zinc/47/79/04/573477904.db2.gz QLIQGUFOJBVVFG-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[C@@H](C[C@@H]1CCC[NH2+]C1)[NH2+]C 259466489 573478030 /nfs/dbraw/zinc/47/80/30/573478030.db2.gz PWJKAZCQWOVGGT-QWRGUYRKSA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+][C@H](CC[C@H](C)[NH3+])c1ccc[nH]1 259100627 573478090 /nfs/dbraw/zinc/47/80/90/573478090.db2.gz AHZMYLWAUDVKLN-DTWKUNHWSA-N 2 0 181.283 1.403 10 0 ADAERP CC(C)C[C@@H](C[C@H]1CC[NH2+]C1)[NH+](C)C 259468258 573478179 /nfs/dbraw/zinc/47/81/79/573478179.db2.gz KAXBBCAWSQEEDO-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@H](C)C[NH2+]CC(C)(C)CC[NH3+] 388690000 573478199 /nfs/dbraw/zinc/47/81/99/573478199.db2.gz KOHLIECDNKIOSH-JTQLQIEISA-N 2 0 186.343 1.997 10 0 ADAERP C[NH2+][C@@H](CC[C@H](C)[NH3+])c1ccc[nH]1 259100629 573478345 /nfs/dbraw/zinc/47/83/45/573478345.db2.gz AHZMYLWAUDVKLN-IUCAKERBSA-N 2 0 181.283 1.403 10 0 ADAERP CC(C)C[C@@H](C[C@@H]1CC[NH2+]C1)[NH+](C)C 259468263 573478752 /nfs/dbraw/zinc/47/87/52/573478752.db2.gz KAXBBCAWSQEEDO-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)C1(C[NH3+])CC1 259466337 573478802 /nfs/dbraw/zinc/47/88/02/573478802.db2.gz PUVOCQFMRQICBO-JTQLQIEISA-N 2 0 182.311 1.504 10 0 ADAERP C[C@H](CC[NH3+])C[NH+]1C[C@H]2CCC[C@@H]2C1 126294388 573478841 /nfs/dbraw/zinc/47/88/41/573478841.db2.gz XVWSLAMZOWWQKK-IJLUTSLNSA-N 2 0 196.338 1.703 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1CC[NH+]1CCCC1 86530788 573478843 /nfs/dbraw/zinc/47/88/43/573478843.db2.gz LQHWGYGNOOUVBK-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)C[C@H](C[C@@H]1CC[NH2+]C1)[NH+](C)C 259468260 573478925 /nfs/dbraw/zinc/47/89/25/573478925.db2.gz KAXBBCAWSQEEDO-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@H](C[NH3+])CNc1cc[nH+]cc1 259106212 573478941 /nfs/dbraw/zinc/47/89/41/573478941.db2.gz XHNZNWHQVKOFAL-SNVBAGLBSA-N 2 0 193.294 1.724 10 0 ADAERP Cc1ccc([C@@H]([NH3+])[C@H](C)C[NH3+])cc1 259100675 573478987 /nfs/dbraw/zinc/47/89/87/573478987.db2.gz AXALVGVUWQEFRU-KOLCDFICSA-N 2 0 178.279 1.590 10 0 ADAERP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)C1 83390562 573478995 /nfs/dbraw/zinc/47/89/95/573478995.db2.gz QLIQGUFOJBVVFG-WOPDTQHZSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@](F)(CC[NH3+])[C@@H]1CCC[NH2+]C1 257819561 573480523 /nfs/dbraw/zinc/48/05/23/573480523.db2.gz FIMQTYIMTSOUHM-RKDXNWHRSA-N 2 0 174.263 1.063 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1CC[NH+]1CCCCC1 86530978 573480162 /nfs/dbraw/zinc/48/01/62/573480162.db2.gz CWUAXVVDOLSIPT-RYUDHWBXSA-N 2 0 196.338 1.990 10 0 ADAERP CCC[C@@H]([C@H]1CCC[NH2+]C1)[NH+](C)C 259464348 573480295 /nfs/dbraw/zinc/48/02/95/573480295.db2.gz JXNPSGJMOWYYFX-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]CC[C@@](C)(F)C1CC[NH2+]CC1 257819447 573480514 /nfs/dbraw/zinc/48/05/14/573480514.db2.gz FKRQFSUVTJNIBM-SNVBAGLBSA-N 2 0 188.290 1.324 10 0 ADAERP C[C@@H]1CCC[C@@H]2C[C@@H]([NH3+])CC[N@H+]12 238413334 573480364 /nfs/dbraw/zinc/48/03/64/573480364.db2.gz FBRHOTRQUZONNZ-KXUCPTDWSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]1CCC[C@@H]([C@@H]2CCC[NH2+]2)[NH2+]1 238415715 573481787 /nfs/dbraw/zinc/48/17/87/573481787.db2.gz APMWCIMCWMQYLM-UTLUCORTSA-N 2 0 168.284 1.269 10 0 ADAERP CC1(C)C[C@H]([C@@H]2CC[NH2+]C2)CC[NH2+]1 258497419 573481791 /nfs/dbraw/zinc/48/17/91/573481791.db2.gz JRAJDIITFFKJAG-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP C[NH2+][C@@H](C[C@@H]1CC[NH2+]C1)C1CCC1 259100624 573481958 /nfs/dbraw/zinc/48/19/58/573481958.db2.gz AHVZPVPURBEFLN-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)[C@@H](C[NH3+])CNc1cc[nH+]cc1 259106210 573482021 /nfs/dbraw/zinc/48/20/21/573482021.db2.gz XHNZNWHQVKOFAL-JTQLQIEISA-N 2 0 193.294 1.724 10 0 ADAERP C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1CN 257819010 573482291 /nfs/dbraw/zinc/48/22/91/573482291.db2.gz FHXLQIIKDYEVHA-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86531057 573482387 /nfs/dbraw/zinc/48/23/87/573482387.db2.gz VPVAZLQDBNPSJN-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1CN 257819005 573482573 /nfs/dbraw/zinc/48/25/73/573482573.db2.gz FHXLQIIKDYEVHA-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@](F)(CC[NH3+])[C@H]1CCC[NH2+]C1 257819558 573482684 /nfs/dbraw/zinc/48/26/84/573482684.db2.gz FIMQTYIMTSOUHM-IUCAKERBSA-N 2 0 174.263 1.063 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]([NH3+])c1ccccc1F 259470888 573482768 /nfs/dbraw/zinc/48/27/68/573482768.db2.gz RTOKQPRJGNLZKJ-GMSGAONNSA-N 2 0 182.242 1.563 10 0 ADAERP CC[C@H]([NH2+][C@H](C)CN(C)C)C1CC1 130150229 573482955 /nfs/dbraw/zinc/48/29/55/573482955.db2.gz WMIMVYYIRKWZPC-KOLCDFICSA-N 2 0 184.327 1.715 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1CC[NH+]1CCCCC1 86530985 573483002 /nfs/dbraw/zinc/48/30/02/573483002.db2.gz CWUAXVVDOLSIPT-VXGBXAGGSA-N 2 0 196.338 1.990 10 0 ADAERP Cc1ccsc1[C@H]([NH3+])C1CC([NH3+])C1 259470676 573483075 /nfs/dbraw/zinc/48/30/75/573483075.db2.gz RROPVUFKHZWYAC-AMDVSUOASA-N 2 0 196.319 1.794 10 0 ADAERP CC[C@@H](C[NH3+])CC[NH2+]CC(F)F 147851683 573483109 /nfs/dbraw/zinc/48/31/09/573483109.db2.gz MJGHXBXJZRZOHJ-SSDOTTSWSA-N 2 0 180.242 1.216 10 0 ADAERP C[NH2+]CC[C@](C)(F)C1CC[NH2+]CC1 257819444 573483168 /nfs/dbraw/zinc/48/31/68/573483168.db2.gz FKRQFSUVTJNIBM-JTQLQIEISA-N 2 0 188.290 1.324 10 0 ADAERP CC(C)C[C@H](C[C@H]1CC[NH2+]C1)[NH+](C)C 259468268 573483195 /nfs/dbraw/zinc/48/31/95/573483195.db2.gz KAXBBCAWSQEEDO-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@](F)(CC[NH3+])[C@H]1CCC[NH2+]C1 257819556 573483351 /nfs/dbraw/zinc/48/33/51/573483351.db2.gz FIMQTYIMTSOUHM-DTWKUNHWSA-N 2 0 174.263 1.063 10 0 ADAERP C[C@@H](c1coc(C[NH3+])c1)[NH+]1CCCC1 257819627 573483402 /nfs/dbraw/zinc/48/34/02/573483402.db2.gz FNFPYOKBAHPBRP-VIFPVBQESA-N 2 0 194.278 1.895 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1[C@@H](C)C[NH3+] 259469574 573484969 /nfs/dbraw/zinc/48/49/69/573484969.db2.gz NSJVEJLFSKZVPT-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H](C[NH3+])CC[N@H+]1C[C@H]2CCC[C@H]2C1 126315596 573484429 /nfs/dbraw/zinc/48/44/29/573484429.db2.gz UFZPVFKYBGCXFZ-SDDRHHMPSA-N 2 0 196.338 1.703 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@]2(C)C[C@H]2[NH3+])C1 259471617 573484440 /nfs/dbraw/zinc/48/44/40/573484440.db2.gz WSOVWLMQEWULHI-IVZWLZJFSA-N 2 0 168.284 1.066 10 0 ADAERP CC[N@@H+]1CCC[C@H]1[C@H](C)C[NH3+] 259469570 573484828 /nfs/dbraw/zinc/48/48/28/573484828.db2.gz NSJVEJLFSKZVPT-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP Cc1ccsc1[C@@H]([NH3+])C1CC([NH3+])C1 259470679 573484894 /nfs/dbraw/zinc/48/48/94/573484894.db2.gz RROPVUFKHZWYAC-HACHORDNSA-N 2 0 196.319 1.794 10 0 ADAERP CC[C@@H]([NH2+][C@H](C)CN(C)C)C1CC1 130150439 573484905 /nfs/dbraw/zinc/48/49/05/573484905.db2.gz WMIMVYYIRKWZPC-MWLCHTKSSA-N 2 0 184.327 1.715 10 0 ADAERP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCC2)CC1 83418032 573487684 /nfs/dbraw/zinc/48/76/84/573487684.db2.gz JBLJVLMADGOQAD-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+]C1CCC([C@H]([NH3+])c2cc[nH]c2)CC1 259470878 573487771 /nfs/dbraw/zinc/48/77/71/573487771.db2.gz RTLBDPVXLBYNIN-RFBVYIQQSA-N 2 0 193.294 1.532 10 0 ADAERP c1[nH]c(C2CC2)nc1C1CC[NH2+]CC1 257820065 573486692 /nfs/dbraw/zinc/48/66/92/573486692.db2.gz FOZVYVDMKLILAF-UHFFFAOYSA-N 2 0 191.278 1.754 10 0 ADAERP CC[N@@H+]1CCC[C@H]1[C@@H](C)C[NH3+] 259469576 573486725 /nfs/dbraw/zinc/48/67/25/573486725.db2.gz 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JBLJVLMADGOQAD-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP Nc1cc[nH+]cc1/C=C/CC[NH3+] 86570937 573488364 /nfs/dbraw/zinc/48/83/64/573488364.db2.gz VPODZGLOCJDTJD-HNQUOIGGSA-N 2 0 163.224 1.026 10 0 ADAERP CC[NH+](CC)[C@@H](C)C[C@H]1CC[NH2+]C1 257820167 573488367 /nfs/dbraw/zinc/48/83/67/573488367.db2.gz FMWXGPUOPVMCPG-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]1CO[C@](C)(CC2CC[NH2+]CC2)[NH2+]1 258402773 573488497 /nfs/dbraw/zinc/48/84/97/573488497.db2.gz IMDPQXNQVUMVFO-MWLCHTKSSA-N 2 0 198.310 1.101 10 0 ADAERP C[C@H]1CO[C@@](C)(CC2CC[NH2+]CC2)[NH2+]1 258402784 573488531 /nfs/dbraw/zinc/48/85/31/573488531.db2.gz IMDPQXNQVUMVFO-ONGXEEELSA-N 2 0 198.310 1.101 10 0 ADAERP C[NH+](C)[C@@H]1CCCC[C@H]([NH3+])C1 107301825 573488535 /nfs/dbraw/zinc/48/85/35/573488535.db2.gz JFGSHKHROOYEIX-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]CC[C@@H]([NH3+])C1CC1 308593490 573488590 /nfs/dbraw/zinc/48/85/90/573488590.db2.gz LGXYMURVVVYTGL-GHMZBOCLSA-N 2 0 196.338 1.892 10 0 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CC1(C)CCC[C@]([NH3+])(C[NH3+])CC1 83436010 573503750 /nfs/dbraw/zinc/50/37/50/573503750.db2.gz BLKBJFWSTGAJTI-SNVBAGLBSA-N 2 0 170.300 1.633 10 0 ADAERP CC(C)(C)[C@H]([NH3+])[C@@H]1CCCC[NH2+]1 259480990 573503774 /nfs/dbraw/zinc/50/37/74/573503774.db2.gz SIMGUDSYHZLRMO-DTWKUNHWSA-N 2 0 170.300 1.502 10 0 ADAERP CC1(C)C[C@@H]([NH2+]CC2CCCC2)C[NH2+]1 258714300 573503909 /nfs/dbraw/zinc/50/39/09/573503909.db2.gz GCIVLIRGYGQGDT-LLVKDONJSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]([C@@H](C[NH2+]C)C(C)C)[NH+](C)C 259479635 573503930 /nfs/dbraw/zinc/50/39/30/573503930.db2.gz KODBOADLQBLUOP-QWRGUYRKSA-N 2 0 186.343 1.818 10 0 ADAERP C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 86599086 573503979 /nfs/dbraw/zinc/50/39/79/573503979.db2.gz BFJJYUFSXJRZAK-DTWKUNHWSA-N 2 0 156.273 1.079 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@H]1CCC[NH2+]C1 259108886 573504008 /nfs/dbraw/zinc/50/40/08/573504008.db2.gz ASTLOUNJCSUSGS-WDEREUQCSA-N 2 0 184.327 1.620 10 0 ADAERP COc1cccc([C@H]([NH3+])CCC[NH3+])c1 259479422 573504024 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573507063 /nfs/dbraw/zinc/50/70/63/573507063.db2.gz KQJIOSHCSPTXQU-JTQLQIEISA-N 2 0 195.310 1.602 10 0 ADAERP CC[C@H]([C@H](C[NH2+]C)C(C)C)[NH+](C)C 259479628 573507093 /nfs/dbraw/zinc/50/70/93/573507093.db2.gz KODBOADLQBLUOP-GHMZBOCLSA-N 2 0 186.343 1.818 10 0 ADAERP CC[C@@H]1CCC[C@]([NH3+])(C[NH3+])CC1 83436006 573507760 /nfs/dbraw/zinc/50/77/60/573507760.db2.gz QXQPCIKRZDZXAV-NXEZZACHSA-N 2 0 170.300 1.633 10 0 ADAERP CC(C)CC[NH2+]CC[C@@H]1CC[NH2+]C1 258716151 573507547 /nfs/dbraw/zinc/50/75/47/573507547.db2.gz LLRCVFSZGDXZGG-LLVKDONJSA-N 2 0 184.327 1.622 10 0 ADAERP CC(C)[C@@H]1CCC[C@@]([NH3+])(C[NH3+])CC1 83437696 573507693 /nfs/dbraw/zinc/50/76/93/573507693.db2.gz FDTYQPSHKGECDJ-MNOVXSKESA-N 2 0 184.327 1.879 10 0 ADAERP C[NH2+][C@@H]1CCC[C@H]([NH+]2CCCC2)C1 86598834 573507810 /nfs/dbraw/zinc/50/78/10/573507810.db2.gz LCIFUSZDPXHTQO-MNOVXSKESA-N 2 0 182.311 1.613 10 0 ADAERP CCCCC[NH2+]CC(C)(C)[NH2+]C 258707262 573507823 /nfs/dbraw/zinc/50/78/23/573507823.db2.gz RYVZGJYIBDDURO-UHFFFAOYSA-N 2 0 172.316 1.764 10 0 ADAERP CCCC[NH2+]C1CCC([NH2+]C)CC1 259110776 573511039 /nfs/dbraw/zinc/51/10/39/573511039.db2.gz BIJFNKMVBLVMQI-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H]2C[C@@]23CCC[NH2+]C3)C1 258046522 573509439 /nfs/dbraw/zinc/50/94/39/573509439.db2.gz JRFAZFOTRCVHRD-QJPTWQEYSA-N 2 0 194.322 1.328 10 0 ADAERP C[N@H+](C[C@@H](C[NH3+])C1CC1)C(C)(C)C 397410020 573509555 /nfs/dbraw/zinc/50/95/55/573509555.db2.gz NZTZROPOWAFHKM-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CC(C)(C)C1CCC1 258721096 573511802 /nfs/dbraw/zinc/51/18/02/573511802.db2.gz IVOAXPGXHPTKTA-VIFPVBQESA-N 2 0 184.327 1.750 10 0 ADAERP Cc1noc([C@@H]2CCC[N@H+]2C)c1C[NH3+] 257821964 573509694 /nfs/dbraw/zinc/50/96/94/573509694.db2.gz GFITYTBQDSEYKT-VIFPVBQESA-N 2 0 195.266 1.208 10 0 ADAERP C[C@H](C[NH3+])Cc1[nH+]cc2ccccn12 259482007 573509728 /nfs/dbraw/zinc/50/97/28/573509728.db2.gz MPFFDLTWZWCUIX-VIFPVBQESA-N 2 0 189.262 1.472 10 0 ADAERP C[C@H]([NH3+])c1coc([C@H]2CC[N@H+](C)C2)n1 258051218 573509797 /nfs/dbraw/zinc/50/97/97/573509797.db2.gz KXOUQFRJHXERSZ-YUMQZZPRSA-N 2 0 195.266 1.113 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CC(C)(C)C1CCC1 258721092 573509818 /nfs/dbraw/zinc/50/98/18/573509818.db2.gz IVOAXPGXHPTKTA-SECBINFHSA-N 2 0 184.327 1.750 10 0 ADAERP C[NH2+]C[C@H](C[NH+]1CCCCC1)C(C)C 258725654 573509932 /nfs/dbraw/zinc/50/99/32/573509932.db2.gz UOOZPCSOHQGBEF-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@@H]1[NH2+]C(C)(C)C[C@@H](C)[C@H]1[NH3+] 238420357 573510053 /nfs/dbraw/zinc/51/00/53/573510053.db2.gz VWHNOUAHLHNASH-GJMOJQLCSA-N 2 0 156.273 1.110 10 0 ADAERP CC(C)N1CC[C@@H]2CC[NH2+][C@@H]2[C@@H]1C 107229993 573511670 /nfs/dbraw/zinc/51/16/70/573511670.db2.gz JDGUCHYQBUECFY-GARJFASQSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1CCC[N@H+](CCCC[NH3+])[C@@H]1C 50563676 573510347 /nfs/dbraw/zinc/51/03/47/573510347.db2.gz KVKBBANDGFSSKS-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC[NH2+]CC(C)(C)CC[NH3+] 258725617 573510363 /nfs/dbraw/zinc/51/03/63/573510363.db2.gz MCWVDQUMCXBKQS-UHFFFAOYSA-N 2 0 186.343 1.997 10 0 ADAERP C[NH2+][C@@H](CC1CC[NH2+]CC1)C1CCC1 259481953 573510498 /nfs/dbraw/zinc/51/04/98/573510498.db2.gz QSTBHVYNWZSCJK-LBPRGKRZSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+][C@H](CC1CC[NH2+]CC1)C1CCC1 259481949 573510635 /nfs/dbraw/zinc/51/06/35/573510635.db2.gz QSTBHVYNWZSCJK-GFCCVEGCSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)Cc1cc[nH]c1 258726679 573510708 /nfs/dbraw/zinc/51/07/08/573510708.db2.gz JLYMYIBSTGSWCT-SECBINFHSA-N 2 0 181.283 1.184 10 0 ADAERP C[N@@H+]1CC[C@H]([C@@H]2C[C@@]23CCC[NH2+]C3)C1 258046530 573510782 /nfs/dbraw/zinc/51/07/82/573510782.db2.gz JRFAZFOTRCVHRD-SDDRHHMPSA-N 2 0 194.322 1.328 10 0 ADAERP C[NH2+]C[C@@H](C[NH2+]C1CC1)C(C)C 258719611 573510902 /nfs/dbraw/zinc/51/09/02/573510902.db2.gz UAXOZTYIUYWUGF-VIFPVBQESA-N 2 0 170.300 1.230 10 0 ADAERP C[C@@H]([NH3+])c1coc([C@@H]2CC[N@H+](C)C2)n1 258051208 573510914 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167.256 1.014 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CCC1CCCC1 258724814 573512965 /nfs/dbraw/zinc/51/29/65/573512965.db2.gz JFHMZFMKGFKNMA-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]Cc1ccccn1 258721567 573512997 /nfs/dbraw/zinc/51/29/97/573512997.db2.gz UEZXDWLEJZVULW-SNVBAGLBSA-N 2 0 193.294 1.156 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])c1ccc[nH]1 259111010 573513396 /nfs/dbraw/zinc/51/33/96/573513396.db2.gz AVNNRCOGEQYJIW-QMMMGPOBSA-N 2 0 167.256 1.014 10 0 ADAERP C[N@H+](C1CCC1)C(C)(C)CC[NH3+] 258721468 573513480 /nfs/dbraw/zinc/51/34/80/573513480.db2.gz DKCCELXTIKJYDS-UHFFFAOYSA-N 2 0 170.300 1.598 10 0 ADAERP C[NH+]1CCC(C2([NH3+])CC(C)(C)C2)CC1 258050611 573513489 /nfs/dbraw/zinc/51/34/89/573513489.db2.gz KAEAPFLFCFVBNZ-UHFFFAOYSA-N 2 0 196.338 1.846 10 0 ADAERP C[N@@H+]1CC[C@H]([C@@H]2C[C@]23CCC[NH2+]C3)C1 258046535 573513628 /nfs/dbraw/zinc/51/36/28/573513628.db2.gz JRFAZFOTRCVHRD-SRVKXCTJSA-N 2 0 194.322 1.328 10 0 ADAERP C[C@@H]1CCC[C@H]2C[C@@H]([NH3+])CC[N@@H+]21 238422707 573513679 /nfs/dbraw/zinc/51/36/79/573513679.db2.gz FBRHOTRQUZONNZ-UTLUCORTSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CCc1ccccc1F 258722453 573515456 /nfs/dbraw/zinc/51/54/56/573515456.db2.gz JBKHCCDAJNLTJY-SECBINFHSA-N 2 0 196.269 1.305 10 0 ADAERP C[NH2+][C@@H](C[C@H]1CC[NH2+]C1)c1cc[nH]c1 259485057 573516888 /nfs/dbraw/zinc/51/68/88/573516888.db2.gz QXHPVFNARTUEBN-KOLCDFICSA-N 2 0 193.294 1.275 10 0 ADAERP C[C@@H]1CCC[C@H]2CCNC[N@@H+]21 238422521 573514972 /nfs/dbraw/zinc/51/49/72/573514972.db2.gz TWRREPHLPIKLKU-BDAKNGLRSA-N 2 0 154.257 1.180 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CC(C)(C)c1ccc[nH]1 258718740 573515020 /nfs/dbraw/zinc/51/50/20/573515020.db2.gz IUHZRFXUONKUMQ-SECBINFHSA-N 2 0 195.310 1.229 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]Cc1ccccn1 258721564 573515034 /nfs/dbraw/zinc/51/50/34/573515034.db2.gz UEZXDWLEJZVULW-JTQLQIEISA-N 2 0 193.294 1.156 10 0 ADAERP CCCCC[NH2+]CCC[C@H](C)[NH3+] 258722432 573515177 /nfs/dbraw/zinc/51/51/77/573515177.db2.gz LVCKETQVBKGPDJ-JTQLQIEISA-N 2 0 172.316 1.894 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CC[NH2+]C1)c1cc[nH]c1 259485053 573516908 /nfs/dbraw/zinc/51/69/08/573516908.db2.gz QXHPVFNARTUEBN-GXSJLCMTSA-N 2 0 193.294 1.275 10 0 ADAERP C[NH2+]CC(C)(C)[NH2+]CCC1CCC1 258737609 573518197 /nfs/dbraw/zinc/51/81/97/573518197.db2.gz FMNSVKPSSRKCNU-UHFFFAOYSA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+]C1CCC(C[NH+]2CCCC2)CC1 258728877 573515413 /nfs/dbraw/zinc/51/54/13/573515413.db2.gz MFJZCZZJVYWRTG-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([C@@H](F)CC[NH3+])C1 257822555 573515476 /nfs/dbraw/zinc/51/54/76/573515476.db2.gz GIKSBWOIDQSXLZ-UWVGGRQHSA-N 2 0 188.290 1.404 10 0 ADAERP C[NH2+]CC1([C@@H]([NH3+])C2CCC2)CC1 259486054 573515601 /nfs/dbraw/zinc/51/56/01/573515601.db2.gz PXRQNYYTTGKYOU-VIFPVBQESA-N 2 0 168.284 1.113 10 0 ADAERP C[C@@H]1C([NH3+])[C@@H](C)[C@@H](C)C([NH3+])[C@@H]1C 33606854 573515651 /nfs/dbraw/zinc/51/56/51/573515651.db2.gz 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188.290 1.404 10 0 ADAERP C[C@@H]1CO[C@](C)(C[C@H]2CCC[NH2+]C2)[NH2+]1 258735501 573515995 /nfs/dbraw/zinc/51/59/95/573515995.db2.gz VWSGBTDEVWSOJF-GMTAPVOTSA-N 2 0 198.310 1.101 10 0 ADAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 308604697 573516250 /nfs/dbraw/zinc/51/62/50/573516250.db2.gz PHNNSRIAKDHKFH-NWDGAFQWSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@H]1CC[C@@H]([N@H+](C)C(C)C)C1 86618430 573516405 /nfs/dbraw/zinc/51/64/05/573516405.db2.gz HPYULLMQPLICMG-VHSXEESVSA-N 2 0 170.300 1.467 10 0 ADAERP F[C@@]1(C[NH2+]C2CC2)CCC[NH2+]CC1 257822736 573516430 /nfs/dbraw/zinc/51/64/30/573516430.db2.gz GHKRLQXRTLMCJN-JTQLQIEISA-N 2 0 186.274 1.220 10 0 ADAERP CC[NH2+][C@@H]1CC[C@H]([NH+]2CCCC2)C1 86618301 573516487 /nfs/dbraw/zinc/51/64/87/573516487.db2.gz FZTDZVLFIPLOSJ-MNOVXSKESA-N 2 0 182.311 1.613 10 0 ADAERP [NH3+][C@H]1CCCC[C@@H]1CC[NH2+]CC1CC1 308602944 573516555 /nfs/dbraw/zinc/51/65/55/573516555.db2.gz FQMNWZHCQSWQFF-NEPJUHHUSA-N 2 0 196.338 1.894 10 0 ADAERP 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AWAFVPRYEKIUBL-GXSJLCMTSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H](C[NH3+])c1[nH+]cc2ccccn12 259486711 573523419 /nfs/dbraw/zinc/52/34/19/573523419.db2.gz MVTKDROHSPPRJC-VIFPVBQESA-N 2 0 189.262 1.787 10 0 ADAERP C[NH2+]CCC[C@H]([NH3+])c1ccc(F)cc1 259486977 573523077 /nfs/dbraw/zinc/52/30/77/573523077.db2.gz SQTFSBQNKFQOBJ-NSHDSACASA-N 2 0 196.269 1.825 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@H]1CCC[NH2+]1 259488129 573523215 /nfs/dbraw/zinc/52/32/15/573523215.db2.gz RDEAUJCVWGKYJZ-GHMZBOCLSA-N 2 0 182.311 1.517 10 0 ADAERP CC[NH2+][C@H]1CC[C@@H]([NH+]2CCCC2)C1 86618304 573523230 /nfs/dbraw/zinc/52/32/30/573523230.db2.gz FZTDZVLFIPLOSJ-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 238425498 573523231 /nfs/dbraw/zinc/52/32/31/573523231.db2.gz GJVBZKQSWZTYGT-TUAOUCFPSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+]CCC[C@H](c1ccc[nH]1)[NH+](C)C 259487550 573523288 /nfs/dbraw/zinc/52/32/88/573523288.db2.gz KZJIMCUDHPHGIO-LLVKDONJSA-N 2 0 195.310 1.617 10 0 ADAERP CC1(C)C[C@@H](CC[NH3+])C[N@@H+]1C1CC1 259486985 573526012 /nfs/dbraw/zinc/52/60/12/573526012.db2.gz RSXWWUGZPSTPFE-SECBINFHSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+][C@@H]([C@@H]1CCCC[NH2+]1)C(C)(C)C 259486620 573524410 /nfs/dbraw/zinc/52/44/10/573524410.db2.gz QZYUAAMWYFKPKB-UWVGGRQHSA-N 2 0 184.327 1.763 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@H](C)CC[NH3+] 259111161 573524433 /nfs/dbraw/zinc/52/44/33/573524433.db2.gz AWAFVPRYEKIUBL-KOLCDFICSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CCC[N@@H+]1CCC1CC1 308613211 573524467 /nfs/dbraw/zinc/52/44/67/573524467.db2.gz ZACDPIHODMEDRJ-JQWIXIFHSA-N 2 0 196.338 1.988 10 0 ADAERP CC1(C)C[C@H](CC[NH3+])C[N@@H+]1C1CC1 259486989 573524578 /nfs/dbraw/zinc/52/45/78/573524578.db2.gz RSXWWUGZPSTPFE-VIFPVBQESA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+][C@H](C[NH2+]C(C)C)C(C)C 259488090 573524637 /nfs/dbraw/zinc/52/46/37/573524637.db2.gz RCCUXGXVYRNHII-SECBINFHSA-N 2 0 158.289 1.228 10 0 ADAERP C[NH2+]CCC[C@@H]([NH3+])c1ccc(F)cc1 259486974 573524682 /nfs/dbraw/zinc/52/46/82/573524682.db2.gz SQTFSBQNKFQOBJ-LLVKDONJSA-N 2 0 196.269 1.825 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](C[C@H](C)C[NH3+])C1 259486739 573524749 /nfs/dbraw/zinc/52/47/49/573524749.db2.gz PAMLUOLJLPUJEV-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@H]([C@@H]1CCCC[NH2+]1)C(C)(C)C 259486622 573524765 /nfs/dbraw/zinc/52/47/65/573524765.db2.gz QZYUAAMWYFKPKB-VHSXEESVSA-N 2 0 184.327 1.763 10 0 ADAERP [NH3+]C[C@H]1C[C@H]1C[NH2+]C1C2(CC2)C12CC2 715157132 573524780 /nfs/dbraw/zinc/52/47/80/573524780.db2.gz JBAZYSRHRUTHKH-BDAKNGLRSA-N 2 0 192.306 1.113 10 0 ADAERP C[NH2+]C[C@](C)(F)C[C@H]1CCC[NH2+]C1 257827201 573527594 /nfs/dbraw/zinc/52/75/94/573527594.db2.gz HWVJCCRZHZPRFN-NXEZZACHSA-N 2 0 188.290 1.324 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[NH2+]C1C2(CC2)C12CC2 715157133 573524844 /nfs/dbraw/zinc/52/48/44/573524844.db2.gz JBAZYSRHRUTHKH-DTWKUNHWSA-N 2 0 192.306 1.113 10 0 ADAERP C[NH2+]CC1(C[NH2+]C(C)(C)C)CC1 258751226 573524909 /nfs/dbraw/zinc/52/49/09/573524909.db2.gz XBPIJEQZRBMZAI-UHFFFAOYSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CCC[N@@H+]1CCC1CC1 308613210 573524963 /nfs/dbraw/zinc/52/49/63/573524963.db2.gz ZACDPIHODMEDRJ-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@@H](C)CC[NH3+] 259111172 573525070 /nfs/dbraw/zinc/52/50/70/573525070.db2.gz AWAFVPRYEKIUBL-ONGXEEELSA-N 2 0 184.327 1.750 10 0 ADAERP Cc1ccc(CC[NH2+]C[C@H](C)[NH3+])cc1 258745376 573525105 /nfs/dbraw/zinc/52/51/05/573525105.db2.gz LLDALJSVWNWNKM-NSHDSACASA-N 2 0 192.306 1.474 10 0 ADAERP C[C@@H](CC[NH+]1CCCC1)[NH2+]CC1CC1 308605922 573525224 /nfs/dbraw/zinc/52/52/24/573525224.db2.gz BTRVHDNIRRIVFO-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP [NH3+]C[C@H]1C[C@@H]1C[NH2+]C1C2(CC2)C12CC2 715157135 573525238 /nfs/dbraw/zinc/52/52/38/573525238.db2.gz JBAZYSRHRUTHKH-RKDXNWHRSA-N 2 0 192.306 1.113 10 0 ADAERP Cc1ccc([C@H]([NH3+])C[C@@H]2CC[NH2+]C2)o1 259486947 573525452 /nfs/dbraw/zinc/52/54/52/573525452.db2.gz SQLBNRJMLRAKOJ-VHSXEESVSA-N 2 0 194.278 1.587 10 0 ADAERP CC(C)(C[NH3+])C[NH2+]CC1CCCC1 258747064 573525457 /nfs/dbraw/zinc/52/54/57/573525457.db2.gz LRYUNUVGHSAIGI-UHFFFAOYSA-N 2 0 184.327 1.751 10 0 ADAERP C[NH2+][C@@H](C[NH2+]C(C)C)C(C)C 259488092 573525509 /nfs/dbraw/zinc/52/55/09/573525509.db2.gz RCCUXGXVYRNHII-VIFPVBQESA-N 2 0 158.289 1.228 10 0 ADAERP CC[C@H](C[NH3+])c1[nH+]cc2ccccn12 259486708 573525813 /nfs/dbraw/zinc/52/58/13/573525813.db2.gz MVTKDROHSPPRJC-SECBINFHSA-N 2 0 189.262 1.787 10 0 ADAERP CCC[C@H]([NH+](C)C)C(C)(C)C[NH3+] 259489473 573525916 /nfs/dbraw/zinc/52/59/16/573525916.db2.gz LCEOZWZGVKBOCG-VIFPVBQESA-N 2 0 172.316 1.702 10 0 ADAERP CC(C)(C[NH3+])[C@H]([NH3+])C1CCC1 259485338 573526104 /nfs/dbraw/zinc/52/61/04/573526104.db2.gz SPLDWMVTELWAHW-MRVPVSSYSA-N 2 0 156.273 1.099 10 0 ADAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc[nH]1 258744808 573526243 /nfs/dbraw/zinc/52/62/43/573526243.db2.gz FZWUMBUDKAKMDF-UHFFFAOYSA-N 2 0 181.283 1.232 10 0 ADAERP CC[C@H](C)[NH2+]CC(C)(C)CC[NH3+] 258744031 573526410 /nfs/dbraw/zinc/52/64/10/573526410.db2.gz NRZVBOKOTCUQGR-VIFPVBQESA-N 2 0 172.316 1.750 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)C1(C[NH3+])CCC1 259489632 573526417 /nfs/dbraw/zinc/52/64/17/573526417.db2.gz RFWQQRJZIDPBBO-NSHDSACASA-N 2 0 196.338 1.894 10 0 ADAERP C[NH2+][C@H](C1CCCCC1)C(C)(C)[NH3+] 259491794 573530820 /nfs/dbraw/zinc/53/08/20/573530820.db2.gz QIJXPQIKZWSBEV-SNVBAGLBSA-N 2 0 184.327 1.892 10 0 ADAERP Cc1ccc(CC[NH2+]C[C@@H](C)[NH3+])cc1 258745374 573527379 /nfs/dbraw/zinc/52/73/79/573527379.db2.gz LLDALJSVWNWNKM-LLVKDONJSA-N 2 0 192.306 1.474 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@H](C)[NH3+] 259490477 573527431 /nfs/dbraw/zinc/52/74/31/573527431.db2.gz QEUKALPBUUAOHA-CBAPKCEASA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]([NH3+])c1ncc([C@@H]2CCC[N@@H+]2C)[nH]1 258058503 573527620 /nfs/dbraw/zinc/52/76/20/573527620.db2.gz KNPAHWMWJCVDIX-CBAPKCEASA-N 2 0 194.282 1.196 10 0 ADAERP C[NH2+][C@H](CC(C)C)C(C)(C)[NH3+] 259493081 573527651 /nfs/dbraw/zinc/52/76/51/573527651.db2.gz QKIKGCLVTFVVGB-MRVPVSSYSA-N 2 0 158.289 1.358 10 0 ADAERP C[C@@H]([NH3+])c1ncc([C@H]2CCC[N@@H+]2C)[nH]1 258058512 573527802 /nfs/dbraw/zinc/52/78/02/573527802.db2.gz KNPAHWMWJCVDIX-VXNVDRBHSA-N 2 0 194.282 1.196 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CCC[NH2+]1)C1CCCC1 259493071 573527814 /nfs/dbraw/zinc/52/78/14/573527814.db2.gz TVQCLRDQVXFVOU-QWRGUYRKSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@H]([NH3+])c1ncc([C@H]2CCC[N@@H+]2C)[nH]1 258058507 573530389 /nfs/dbraw/zinc/53/03/89/573530389.db2.gz KNPAHWMWJCVDIX-IONNQARKSA-N 2 0 194.282 1.196 10 0 ADAERP Cc1ccccc1[C@@H]([NH3+])[C@H](C)C[NH3+] 259488512 573528058 /nfs/dbraw/zinc/52/80/58/573528058.db2.gz SSVTUEYQAXAUMR-KOLCDFICSA-N 2 0 178.279 1.590 10 0 ADAERP [NH3+]CC1([C@H]([NH3+])c2cccc(F)c2)CC1 259493007 573528082 /nfs/dbraw/zinc/52/80/82/573528082.db2.gz QJNHGYDACGAZHB-SNVBAGLBSA-N 2 0 194.253 1.564 10 0 ADAERP CCC[N@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 258758356 573528131 /nfs/dbraw/zinc/52/81/31/573528131.db2.gz JBACVILQSZQSPD-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@H]1CCCN(C2CC2)C1(C)C 259490233 573528159 /nfs/dbraw/zinc/52/81/59/573528159.db2.gz RZVUKPTXQBSEHC-JTQLQIEISA-N 2 0 182.311 1.611 10 0 ADAERP C[NH2+][C@@H](C1CCCCC1)C(C)(C)[NH3+] 259491790 573528178 /nfs/dbraw/zinc/52/81/78/573528178.db2.gz QIJXPQIKZWSBEV-JTQLQIEISA-N 2 0 184.327 1.892 10 0 ADAERP C[C@H]([NH3+])[C@@](C)(F)C1CC[NH2+]CC1 257827476 573528349 /nfs/dbraw/zinc/52/83/49/573528349.db2.gz HWYGBGNRTRZMEA-IONNQARKSA-N 2 0 174.263 1.061 10 0 ADAERP C[N@@H+]1CCC[C@@H]2CC[NH2+]CC[C@@H]21 107331411 573528384 /nfs/dbraw/zinc/52/83/84/573528384.db2.gz YRBJNSRKHCTNQL-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@@H]1CCC[NH2+]1 259488133 573528434 /nfs/dbraw/zinc/52/84/34/573528434.db2.gz RDEAUJCVWGKYJZ-QWRGUYRKSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]([NH3+])[C@](C)(F)C1CC[NH2+]CC1 257827475 573528447 /nfs/dbraw/zinc/52/84/47/573528447.db2.gz HWYGBGNRTRZMEA-CBAPKCEASA-N 2 0 174.263 1.061 10 0 ADAERP CC[C@@H]([NH3+])C1(C[NH2+]C)CCC1 259491651 573528450 /nfs/dbraw/zinc/52/84/50/573528450.db2.gz QHEYHXVJMNQXTL-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP C[NH2+]C[C@](C)(F)C[C@@H]1CCC[NH2+]C1 257827204 573528492 /nfs/dbraw/zinc/52/84/92/573528492.db2.gz HWVJCCRZHZPRFN-VHSXEESVSA-N 2 0 188.290 1.324 10 0 ADAERP [NH3+]CC1([C@@H]([NH3+])c2cccc(F)c2)CC1 259493004 573528546 /nfs/dbraw/zinc/52/85/46/573528546.db2.gz QJNHGYDACGAZHB-JTQLQIEISA-N 2 0 194.253 1.564 10 0 ADAERP C[NH2+][C@@H](CC(C)C)C(C)(C)[NH3+] 259493083 573528557 /nfs/dbraw/zinc/52/85/57/573528557.db2.gz QKIKGCLVTFVVGB-QMMMGPOBSA-N 2 0 158.289 1.358 10 0 ADAERP C[NH2+][C@@H](c1ccccc1)[C@@H]1CC[NH2+]C1 257827153 573528597 /nfs/dbraw/zinc/52/85/97/573528597.db2.gz HVNWQAVIPHYNFT-NEPJUHHUSA-N 2 0 190.290 1.557 10 0 ADAERP CC(C)(C[NH3+])C1(F)CC[NH2+]CC1 257827928 573528621 /nfs/dbraw/zinc/52/86/21/573528621.db2.gz IACLFWYTCRCLEN-UHFFFAOYSA-N 2 0 174.263 1.063 10 0 ADAERP C[N@@H+]1CC[C@H]([NH3+])CC12CCCC2 107331398 573528673 /nfs/dbraw/zinc/52/86/73/573528673.db2.gz AEEBCEPEYSDIFD-VIFPVBQESA-N 2 0 168.284 1.352 10 0 ADAERP [NH3+][C@H](C[C@@H]1CCC[NH2+]1)C1CCCC1 259493074 573529078 /nfs/dbraw/zinc/52/90/78/573529078.db2.gz TVQCLRDQVXFVOU-WDEREUQCSA-N 2 0 182.311 1.646 10 0 ADAERP C[NH2+]C[C@@](C)(F)C[C@@H]1CCC[NH2+]C1 257827203 573529105 /nfs/dbraw/zinc/52/91/05/573529105.db2.gz HWVJCCRZHZPRFN-UWVGGRQHSA-N 2 0 188.290 1.324 10 0 ADAERP C[NH2+]C[C@@](C)(F)C[C@H]1CCC[NH2+]C1 257827206 573529235 /nfs/dbraw/zinc/52/92/35/573529235.db2.gz HWVJCCRZHZPRFN-ZJUUUORDSA-N 2 0 188.290 1.324 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@H](C)[NH3+] 259490479 573529450 /nfs/dbraw/zinc/52/94/50/573529450.db2.gz QEUKALPBUUAOHA-IONNQARKSA-N 2 0 156.273 1.112 10 0 ADAERP C[NH2+][C@H](C1CCC1)C(C)(C)[NH3+] 259493020 573529397 /nfs/dbraw/zinc/52/93/97/573529397.db2.gz QJXLVYWUSXTLFL-MRVPVSSYSA-N 2 0 156.273 1.112 10 0 ADAERP C[NH2+][C@@H]1CCCN(C2CC2)C1(C)C 259490236 573529428 /nfs/dbraw/zinc/52/94/28/573529428.db2.gz RZVUKPTXQBSEHC-SNVBAGLBSA-N 2 0 182.311 1.611 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1C1([NH3+])CCC1 107331423 573529485 /nfs/dbraw/zinc/52/94/85/573529485.db2.gz JGTDDGVJRHSORI-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP C[NH2+][C@@H](CC[NH3+])c1cccc(OC)c1 259489219 573529501 /nfs/dbraw/zinc/52/95/01/573529501.db2.gz QCONWNDIVCFAIA-NSHDSACASA-N 2 0 194.278 1.305 10 0 ADAERP [NH3+]CC1([C@H]([NH3+])c2ccccc2)CC1 259491835 573529560 /nfs/dbraw/zinc/52/95/60/573529560.db2.gz QIUWODWHPOKSNG-SNVBAGLBSA-N 2 0 176.263 1.425 10 0 ADAERP C[NH2+][C@H](CC[NH3+])c1cccc(OC)c1 259489218 573529580 /nfs/dbraw/zinc/52/95/80/573529580.db2.gz QCONWNDIVCFAIA-LLVKDONJSA-N 2 0 194.278 1.305 10 0 ADAERP CC(C)(C[NH3+])C[C@@H]([NH3+])C1CCC1 259491519 573529856 /nfs/dbraw/zinc/52/98/56/573529856.db2.gz TUWDHAKTPYCXLC-SECBINFHSA-N 2 0 170.300 1.489 10 0 ADAERP Cc1ccccc1[C@@H]([NH3+])[C@@H](C)C[NH3+] 259488515 573529902 /nfs/dbraw/zinc/52/99/02/573529902.db2.gz SSVTUEYQAXAUMR-ONGXEEELSA-N 2 0 178.279 1.590 10 0 ADAERP [NH3+][C@H](C[C@H]1CCC[NH2+]1)C1CCCC1 259493065 573530006 /nfs/dbraw/zinc/53/00/06/573530006.db2.gz TVQCLRDQVXFVOU-GHMZBOCLSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@@H]([NH3+])[C@](C)(F)C1CC[NH2+]CC1 257827474 573530018 /nfs/dbraw/zinc/53/00/18/573530018.db2.gz HWYGBGNRTRZMEA-APPZFPTMSA-N 2 0 174.263 1.061 10 0 ADAERP C[N@@H+]1CCCC[C@H]1C1([NH3+])CCC1 107331425 573530038 /nfs/dbraw/zinc/53/00/38/573530038.db2.gz JGTDDGVJRHSORI-VIFPVBQESA-N 2 0 168.284 1.352 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1c1cc(C[NH3+])[nH]n1 258406403 573530114 /nfs/dbraw/zinc/53/01/14/573530114.db2.gz CSPLCZRVXZCZDY-SNVBAGLBSA-N 2 0 194.282 1.025 10 0 ADAERP CC(C)[C@H]([NH3+])c1cccc(C[NH3+])c1 259488661 573530206 /nfs/dbraw/zinc/53/02/06/573530206.db2.gz SVARFCGQBMNEND-NSHDSACASA-N 2 0 178.279 1.801 10 0 ADAERP CC[N@@H+]1CCC[C@H]1c1cc(C[NH3+])[nH]n1 258406402 573530295 /nfs/dbraw/zinc/53/02/95/573530295.db2.gz CSPLCZRVXZCZDY-JTQLQIEISA-N 2 0 194.282 1.025 10 0 ADAERP C[NH2+][C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 257827157 573530237 /nfs/dbraw/zinc/53/02/37/573530237.db2.gz HVNWQAVIPHYNFT-RYUDHWBXSA-N 2 0 190.290 1.557 10 0 ADAERP C[NH2+]CC1(C[NH2+]C(C)C)CCC1 258753427 573530762 /nfs/dbraw/zinc/53/07/62/573530762.db2.gz XDTMOUKFQNOHFR-UHFFFAOYSA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)[C@@H]([NH3+])c1cccc(C[NH3+])c1 259488659 573530781 /nfs/dbraw/zinc/53/07/81/573530781.db2.gz SVARFCGQBMNEND-LLVKDONJSA-N 2 0 178.279 1.801 10 0 ADAERP C[NH2+][C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 257827159 573530813 /nfs/dbraw/zinc/53/08/13/573530813.db2.gz HVNWQAVIPHYNFT-VXGBXAGGSA-N 2 0 190.290 1.557 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@H]1CCC[NH2+]1 259488131 573531144 /nfs/dbraw/zinc/53/11/44/573531144.db2.gz RDEAUJCVWGKYJZ-MNOVXSKESA-N 2 0 182.311 1.517 10 0 ADAERP Cc1ccccc1[C@H]([NH3+])[C@@H](C)C[NH3+] 259488510 573531293 /nfs/dbraw/zinc/53/12/93/573531293.db2.gz SSVTUEYQAXAUMR-GXSJLCMTSA-N 2 0 178.279 1.590 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CC1 107331419 573531865 /nfs/dbraw/zinc/53/18/65/573531865.db2.gz KHFDHEQCHZJFMV-SECBINFHSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)CCC1CCC1 258756894 573534425 /nfs/dbraw/zinc/53/44/25/573534425.db2.gz MPZNBZDXGLKAOC-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C[N@@H+]1CC[C@H](C[C@]2(C)CCCC[NH2+]2)C1 258053939 573535206 /nfs/dbraw/zinc/53/52/06/573535206.db2.gz DGLWJVKWYZVPSK-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@@H](C1CCC1)C(C)(C)[NH3+] 259493023 573532821 /nfs/dbraw/zinc/53/28/21/573532821.db2.gz QJXLVYWUSXTLFL-QMMMGPOBSA-N 2 0 156.273 1.112 10 0 ADAERP CCC[N@H+](C)[C@H]1CC[NH2+]C(C)(C)C1 258758349 573532853 /nfs/dbraw/zinc/53/28/53/573532853.db2.gz JBACVILQSZQSPD-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP C1=C(CC[NH2+]C2CCCC2)C[NH2+]CC1 258055198 573535256 /nfs/dbraw/zinc/53/52/56/573535256.db2.gz UUMYUKJUHXONNW-UHFFFAOYSA-N 2 0 194.322 1.828 10 0 ADAERP C[NH2+]C[C@](C)(F)CC1CC[NH2+]CC1 257828987 573533174 /nfs/dbraw/zinc/53/31/74/573533174.db2.gz IPGKDYURRRKSFO-SNVBAGLBSA-N 2 0 188.290 1.324 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@@H]([NH2+]C)C(C)(C)C 259104959 573533176 /nfs/dbraw/zinc/53/31/76/573533176.db2.gz FGUDAQAALTXRMN-VHSXEESVSA-N 2 0 186.343 1.866 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]Cc1ccccn1 258753965 573533197 /nfs/dbraw/zinc/53/31/97/573533197.db2.gz OLHZEABXRXHLIJ-SNVBAGLBSA-N 2 0 193.294 1.299 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]Cc1ccccn1 258753962 573533674 /nfs/dbraw/zinc/53/36/74/573533674.db2.gz OLHZEABXRXHLIJ-JTQLQIEISA-N 2 0 193.294 1.299 10 0 ADAERP C[N@@H+]1CC[C@H](C[C@@]2(C)CCCC[NH2+]2)C1 258053948 573533812 /nfs/dbraw/zinc/53/38/12/573533812.db2.gz DGLWJVKWYZVPSK-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+]C[C@H]1C[N@H+](C(C)C)C(C)(C)C1 259493285 573533895 /nfs/dbraw/zinc/53/38/95/573533895.db2.gz SHDZAUKIALDASB-JTQLQIEISA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H](C[NH3+])C[N@H+](C)CCC1CCC1 258756891 573534245 /nfs/dbraw/zinc/53/42/45/573534245.db2.gz MPZNBZDXGLKAOC-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CCC[C@@H]([C@@H](C[NH3+])C(C)C)[NH+](C)C 259495860 573534279 /nfs/dbraw/zinc/53/42/79/573534279.db2.gz LLXYKJYBJMYDDH-QWRGUYRKSA-N 2 0 186.343 1.948 10 0 ADAERP C[NH+](C)[C@@H](CC(C)(C)[NH3+])C1CCC1 259492639 573534534 /nfs/dbraw/zinc/53/45/34/573534534.db2.gz LFLPFNITUYVKBE-JTQLQIEISA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@H]([NH2+]C)C(C)(C)C 259104954 573534678 /nfs/dbraw/zinc/53/46/78/573534678.db2.gz FGUDAQAALTXRMN-UWVGGRQHSA-N 2 0 186.343 1.866 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])c1ccccc1F 259493509 573534742 /nfs/dbraw/zinc/53/47/42/573534742.db2.gz RNEYUIREPHJIKA-NSHDSACASA-N 2 0 196.269 1.825 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])o1 259494556 573534889 /nfs/dbraw/zinc/53/48/89/573534889.db2.gz TZKDPCYCLVULEG-QMMMGPOBSA-N 2 0 168.240 1.327 10 0 ADAERP C[NH2+]C[C@@H]1C[N@H+](C(C)C)C(C)(C)C1 259493286 573535175 /nfs/dbraw/zinc/53/51/75/573535175.db2.gz SHDZAUKIALDASB-SNVBAGLBSA-N 2 0 184.327 1.715 10 0 ADAERP CCC[C@H]([C@H](C[NH3+])C(C)C)[NH+](C)C 259495855 573535846 /nfs/dbraw/zinc/53/58/46/573535846.db2.gz LLXYKJYBJMYDDH-GHMZBOCLSA-N 2 0 186.343 1.948 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@]2(C)CCCC[NH2+]2)C1 258053945 573535939 /nfs/dbraw/zinc/53/59/39/573535939.db2.gz DGLWJVKWYZVPSK-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+]CC[C@H](C)[NH2+]CC1CCCC1 323176131 573536037 /nfs/dbraw/zinc/53/60/37/573536037.db2.gz YERKFCHBYAAMMF-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]([C@@H]2CCC[NH2+]2)C1 238434073 573536061 /nfs/dbraw/zinc/53/60/61/573536061.db2.gz CMSQNYZMYMDSNQ-UTLUCORTSA-N 2 0 168.284 1.127 10 0 ADAERP C[NH2+]CCc1cnc2ccc(F)cn12 107356529 573538847 /nfs/dbraw/zinc/53/88/47/573538847.db2.gz WBGSPOHWSJTHOE-UHFFFAOYSA-N 2 0 193.225 1.235 10 0 ADAERP C[NH2+]CCC[C@H]([NH3+])C1CCCCC1 259105543 573539932 /nfs/dbraw/zinc/53/99/32/573539932.db2.gz BDSLDNXWWRVDNQ-NSHDSACASA-N 2 0 184.327 1.894 10 0 ADAERP CCC[C@H]([C@@H](C[NH3+])C(C)C)[NH+](C)C 259495862 573538332 /nfs/dbraw/zinc/53/83/32/573538332.db2.gz LLXYKJYBJMYDDH-WDEREUQCSA-N 2 0 186.343 1.948 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CCC[NH2+]1)C1CCC1 259493523 573538479 /nfs/dbraw/zinc/53/84/79/573538479.db2.gz RNLMVGMUDMQDSC-WDEREUQCSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]CCc1cccs1 258761001 573538705 /nfs/dbraw/zinc/53/87/05/573538705.db2.gz NFOIOEKACFCTEN-VIFPVBQESA-N 2 0 198.335 1.618 10 0 ADAERP C[NH2+][C@@H](CC[NH3+])c1cccc(F)c1 259494407 573538718 /nfs/dbraw/zinc/53/87/18/573538718.db2.gz QMIQFKZCCJLMEU-JTQLQIEISA-N 2 0 182.242 1.435 10 0 ADAERP COc1ccc(C[NH3+])cc1[C@H](C)[NH3+] 257829477 573538746 /nfs/dbraw/zinc/53/87/46/573538746.db2.gz IXNYTBHQZVJNTR-ZETCQYMHSA-N 2 0 180.251 1.174 10 0 ADAERP Cc1nc(CC[NH3+])n2cccc(F)c12 107356540 573538776 /nfs/dbraw/zinc/53/87/76/573538776.db2.gz QRGPPHXKHGGSIW-UHFFFAOYSA-N 2 0 193.225 1.283 10 0 ADAERP C[NH2+][C@@H](c1ccc[nH]1)C1CC([NH3+])C1 259493541 573538873 /nfs/dbraw/zinc/53/88/73/573538873.db2.gz RNVQFLWOBTZUDG-SFVIPPHHSA-N 2 0 179.267 1.013 10 0 ADAERP C[C@@H]1CC[NH2+][C@H](C[C@@H]2CCCC[NH2+]2)C1 238434061 573538876 /nfs/dbraw/zinc/53/88/76/573538876.db2.gz SSKMWVBCROYACS-WOPDTQHZSA-N 2 0 196.338 1.907 10 0 ADAERP CC[N@@H+]1CC[C@@H]([C@@H](F)CC[NH3+])C1 257829087 573538907 /nfs/dbraw/zinc/53/89/07/573538907.db2.gz ITGAJGIMTCCTBS-BDAKNGLRSA-N 2 0 174.263 1.015 10 0 ADAERP CCC[C@@H]([C@H](C[NH3+])C(C)C)[NH+](C)C 259495858 573538962 /nfs/dbraw/zinc/53/89/62/573538962.db2.gz LLXYKJYBJMYDDH-MNOVXSKESA-N 2 0 186.343 1.948 10 0 ADAERP C[C@H](C[NH3+])c1cnc2ccc(F)cn12 107356538 573538969 /nfs/dbraw/zinc/53/89/69/573538969.db2.gz RDVIPRZLVPWCJC-SSDOTTSWSA-N 2 0 193.225 1.536 10 0 ADAERP Cc1[nH+]c(CCC2([NH3+])CC2)c(C)n1C 257824326 573539084 /nfs/dbraw/zinc/53/90/84/573539084.db2.gz GSUPDXVKXAUVHL-UHFFFAOYSA-N 2 0 193.294 1.461 10 0 ADAERP C[NH2+]CCC[C@@H]([NH3+])C1CCCCC1 259105540 573539137 /nfs/dbraw/zinc/53/91/37/573539137.db2.gz BDSLDNXWWRVDNQ-LLVKDONJSA-N 2 0 184.327 1.894 10 0 ADAERP C[NH2+][C@H](C)CCC(C)(C)[NH3+] 259492352 573539195 /nfs/dbraw/zinc/53/91/95/573539195.db2.gz RKAGMCKHLSAQRY-SSDOTTSWSA-N 2 0 144.262 1.112 10 0 ADAERP C[NH2+][C@@H](C[C@@H]1CCC[NH2+]1)C1CCC1 259493522 573539295 /nfs/dbraw/zinc/53/92/95/573539295.db2.gz RNLMVGMUDMQDSC-QWRGUYRKSA-N 2 0 182.311 1.517 10 0 ADAERP C[NH2+]C[C@@](C)(F)C[C@H]1CC[N@H+](C)C1 257829275 573539307 /nfs/dbraw/zinc/53/93/07/573539307.db2.gz IRVIAWOKFADINM-ZJUUUORDSA-N 2 0 188.290 1.276 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@@H](F)CC[NH3+])C1 257829089 573539386 /nfs/dbraw/zinc/53/93/86/573539386.db2.gz ITGAJGIMTCCTBS-IUCAKERBSA-N 2 0 174.263 1.015 10 0 ADAERP [NH3+]C1CC([C@@H]([NH3+])C2CCCCC2)C1 259105666 573539452 /nfs/dbraw/zinc/53/94/52/573539452.db2.gz BFGGKAAXKRNJKU-ILDUYXDCSA-N 2 0 182.311 1.631 10 0 ADAERP C[C@@H]([NH3+])Cc1cnc2ccc(F)cn12 107356534 573539525 /nfs/dbraw/zinc/53/95/25/573539525.db2.gz LJEXFAUXDHFHQP-SSDOTTSWSA-N 2 0 193.225 1.363 10 0 ADAERP c1ncn2c1[C@H]([C@@H]1CC[NH2+]C1)CCC2 107353590 573539564 /nfs/dbraw/zinc/53/95/64/573539564.db2.gz DHGJMABMSZOLME-ZJUUUORDSA-N 2 0 191.278 1.370 10 0 ADAERP C[C@@H](C[NH3+])c1cnc2ccc(F)cn12 107356536 573539628 /nfs/dbraw/zinc/53/96/28/573539628.db2.gz RDVIPRZLVPWCJC-ZETCQYMHSA-N 2 0 193.225 1.536 10 0 ADAERP C[C@H]([NH3+])Cc1ncc2c(F)cccn12 107356544 573539650 /nfs/dbraw/zinc/53/96/50/573539650.db2.gz KWTPYUMRNBCCNZ-ZETCQYMHSA-N 2 0 193.225 1.363 10 0 ADAERP CCC[C@@H]([NH3+])c1cccc(C[NH3+])c1 259495941 573539783 /nfs/dbraw/zinc/53/97/83/573539783.db2.gz UCBTTYAJXRWTNT-LLVKDONJSA-N 2 0 178.279 1.945 10 0 ADAERP CCC[C@H]([NH3+])c1cccc(C[NH3+])c1 259495943 573539793 /nfs/dbraw/zinc/53/97/93/573539793.db2.gz UCBTTYAJXRWTNT-NSHDSACASA-N 2 0 178.279 1.945 10 0 ADAERP c1ncn2c1[C@@H]([C@H]1CC[NH2+]C1)CCC2 107353591 573539884 /nfs/dbraw/zinc/53/98/84/573539884.db2.gz DHGJMABMSZOLME-VHSXEESVSA-N 2 0 191.278 1.370 10 0 ADAERP C[C@@H]1CC[C@@H](C(C)(C)[NH3+])[C@@H]1[NH3+] 238435156 573540775 /nfs/dbraw/zinc/54/07/75/573540775.db2.gz FKLCOHCYHKRAKX-BWZBUEFSSA-N 2 0 156.273 1.097 10 0 ADAERP Cc1nc(CC[NH3+])n2c(F)cccc12 107356551 573540334 /nfs/dbraw/zinc/54/03/34/573540334.db2.gz AGYPQTBNUKPGTN-UHFFFAOYSA-N 2 0 193.225 1.283 10 0 ADAERP C[NH2+]CC[C@@H]([NH2+]C)c1sccc1C 259501406 573540468 /nfs/dbraw/zinc/54/04/68/573540468.db2.gz QXZCWSIBZMEKJV-SECBINFHSA-N 2 0 198.335 1.927 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)CCc1ccc[nH]1 258769782 573540540 /nfs/dbraw/zinc/54/05/40/573540540.db2.gz NVXGWEHABMQIPA-JTQLQIEISA-N 2 0 195.310 1.226 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@H](F)CC[NH3+])C1 257829088 573540723 /nfs/dbraw/zinc/54/07/23/573540723.db2.gz ITGAJGIMTCCTBS-DTWKUNHWSA-N 2 0 174.263 1.015 10 0 ADAERP CC1(C)C[C@@H]([NH2+]C2CCCC2)C[NH2+]1 258770066 573540748 /nfs/dbraw/zinc/54/07/48/573540748.db2.gz PTNBDNUFVYOURX-SNVBAGLBSA-N 2 0 182.311 1.659 10 0 ADAERP C[NH2+][C@@H](CC(C)(C)[NH3+])C1CCCC1 259497764 573540836 /nfs/dbraw/zinc/54/08/36/573540836.db2.gz RVIAUJAOXDIJRM-JTQLQIEISA-N 2 0 184.327 1.892 10 0 ADAERP C[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259499858 573540930 /nfs/dbraw/zinc/54/09/30/573540930.db2.gz SVRKAYMGMCKJSX-MRVPVSSYSA-N 2 0 156.273 1.066 10 0 ADAERP CCN1CCO[C@@H]([C@H]([NH3+])C=C(C)C)C1 86654006 573540976 /nfs/dbraw/zinc/54/09/76/573540976.db2.gz CWAHBERXCFTOIV-GHMZBOCLSA-N 2 0 198.310 1.001 10 0 ADAERP C[NH2+]CC[C@H]([NH2+]C)c1sccc1C 259501408 573540984 /nfs/dbraw/zinc/54/09/84/573540984.db2.gz QXZCWSIBZMEKJV-VIFPVBQESA-N 2 0 198.335 1.927 10 0 ADAERP C[C@H]([NH3+])Cc1ncc2cccc(F)n12 107356554 573541008 /nfs/dbraw/zinc/54/10/08/573541008.db2.gz KHPYWGLSKCMESU-ZETCQYMHSA-N 2 0 193.225 1.363 10 0 ADAERP CCC(CC)C[NH2+]C[C@@H](C)CC[NH3+] 130426080 573541104 /nfs/dbraw/zinc/54/11/04/573541104.db2.gz NEKOXFLQHUISQK-JTQLQIEISA-N 2 0 186.343 1.997 10 0 ADAERP C[NH2+]C[C@](C)(F)C[C@H]1CC[N@H+](C)C1 257829272 573541179 /nfs/dbraw/zinc/54/11/79/573541179.db2.gz IRVIAWOKFADINM-NXEZZACHSA-N 2 0 188.290 1.276 10 0 ADAERP Cc1nc(CC[NH3+])n2ccc(F)cc12 107356565 573543308 /nfs/dbraw/zinc/54/33/08/573543308.db2.gz BEWFKBBMPUMXTL-UHFFFAOYSA-N 2 0 193.225 1.283 10 0 ADAERP C[C@@H]1C[N@@H+](C2CC2)CCCC[NH2+]1 259501525 573543256 /nfs/dbraw/zinc/54/32/56/573543256.db2.gz SYJAZUCUZMUAEV-SECBINFHSA-N 2 0 168.284 1.223 10 0 ADAERP C[NH2+][C@H](CC(C)(C)[NH3+])C1CCCC1 259497766 573542896 /nfs/dbraw/zinc/54/28/96/573542896.db2.gz RVIAUJAOXDIJRM-SNVBAGLBSA-N 2 0 184.327 1.892 10 0 ADAERP Cc1ccc2cnc(C3C[NH2+]C3)n2c1 257825085 573542944 /nfs/dbraw/zinc/54/29/44/573542944.db2.gz GZZXQZPHNDRLIK-UHFFFAOYSA-N 2 0 187.246 1.330 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)CCc1ccc[nH]1 258769784 573542992 /nfs/dbraw/zinc/54/29/92/573542992.db2.gz NVXGWEHABMQIPA-SNVBAGLBSA-N 2 0 195.310 1.226 10 0 ADAERP Cc1cccc([C@@H]([NH3+])C(C)(C)C[NH3+])c1 259500822 573543011 /nfs/dbraw/zinc/54/30/11/573543011.db2.gz UMFGBAXJPNSUJN-LLVKDONJSA-N 2 0 192.306 1.980 10 0 ADAERP CC(C)[NH2+]C[C@@]1(F)CCC[NH2+]CC1 257829693 573543067 /nfs/dbraw/zinc/54/30/67/573543067.db2.gz ITLKTKQHGGMXIK-SNVBAGLBSA-N 2 0 188.290 1.466 10 0 ADAERP C[C@@H]([NH3+])Cc1ncc2cc(F)ccn12 107356571 573543300 /nfs/dbraw/zinc/54/33/00/573543300.db2.gz KXGCUKPBHSUBBO-SSDOTTSWSA-N 2 0 193.225 1.363 10 0 ADAERP C[C@@H]1[C@@H]([NH3+])Cc2ccccc2[C@@H]1[NH3+] 238434977 573543363 /nfs/dbraw/zinc/54/33/63/573543363.db2.gz FRWBOACTSWAYIY-PPKCKEKNSA-N 2 0 176.263 1.206 10 0 ADAERP CCC[NH2+]CC[C@H]1CCCC[NH2+]1 258770052 573543477 /nfs/dbraw/zinc/54/34/77/573543477.db2.gz PTIXLESMOYEHJF-SNVBAGLBSA-N 2 0 170.300 1.518 10 0 ADAERP CCC[NH2+]CC[C@@H]1CCCC[NH2+]1 258770049 573543509 /nfs/dbraw/zinc/54/35/09/573543509.db2.gz PTIXLESMOYEHJF-JTQLQIEISA-N 2 0 170.300 1.518 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[C@H]1CCCC[NH2+]1 259500737 573544011 /nfs/dbraw/zinc/54/40/11/573544011.db2.gz ULQICBCLRNKCBN-GHMZBOCLSA-N 2 0 184.327 1.892 10 0 ADAERP c1[nH]c(C2CC2)nc1[C@H]1CCC[NH2+]C1 257825286 573544048 /nfs/dbraw/zinc/54/40/48/573544048.db2.gz HDGDMMAKDIXBPY-VIFPVBQESA-N 2 0 191.278 1.754 10 0 ADAERP [NH3+]C1CC([C@H]([NH3+])C2CCCCC2)C1 259105672 573544084 /nfs/dbraw/zinc/54/40/84/573544084.db2.gz BFGGKAAXKRNJKU-VQXHTEKXSA-N 2 0 182.311 1.631 10 0 ADAERP Cc1nc(CC[NH3+])n2cc(F)ccc12 107356558 573544143 /nfs/dbraw/zinc/54/41/43/573544143.db2.gz OZSZONTYQKDYSB-UHFFFAOYSA-N 2 0 193.225 1.283 10 0 ADAERP CC(C)CCC[N@H+](C)CC1C[NH2+]C1 258767961 573544159 /nfs/dbraw/zinc/54/41/59/573544159.db2.gz ALDXBNDIDLARJV-UHFFFAOYSA-N 2 0 184.327 1.574 10 0 ADAERP CC(C)(C[NH3+])CC[NH2+]C1CCCC1 258764158 573545487 /nfs/dbraw/zinc/54/54/87/573545487.db2.gz PFPIVVWLLVKAGX-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP C[N@@H+]1CCC[C@H](C2CCC([NH3+])CC2)C1 259119715 573545510 /nfs/dbraw/zinc/54/55/10/573545510.db2.gz GFIMJZWRXIFVGK-CXQJBGSLSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+]CC1([C@H]([NH2+]C)c2ccc[nH]2)CC1 259499183 573545055 /nfs/dbraw/zinc/54/50/55/573545055.db2.gz RXDJVJLPMVAJDZ-SNVBAGLBSA-N 2 0 193.294 1.275 10 0 ADAERP C[NH2+]CC1([C@@H]([NH2+]C)c2ccc[nH]2)CC1 259499179 573545094 /nfs/dbraw/zinc/54/50/94/573545094.db2.gz RXDJVJLPMVAJDZ-JTQLQIEISA-N 2 0 193.294 1.275 10 0 ADAERP 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144308432 573580634 /nfs/dbraw/zinc/58/06/34/573580634.db2.gz LIMSGLXFZJJLDH-UHFFFAOYSA-N 2 0 189.262 1.614 10 0 ADAERP C[NH2+]C(C)(C)C[NH2+]CCc1cc[nH]c1 258797498 573582892 /nfs/dbraw/zinc/58/28/92/573582892.db2.gz DEBGVCUGZNJDSR-UHFFFAOYSA-N 2 0 195.310 1.145 10 0 ADAERP CC(C)[C@@H]1C[C@H](C(C)C)[C@@H]([NH3+])C[C@@H]1[NH3+] 144337278 573580688 /nfs/dbraw/zinc/58/06/88/573580688.db2.gz IIOUUBXZSIDTGV-USZNOCQGSA-N 2 0 198.354 1.979 10 0 ADAERP C/C=C\C[NH+]1CCC([C@@H](C)[NH2+]C)CC1 308404115 573582972 /nfs/dbraw/zinc/58/29/72/573582972.db2.gz IHYDMQJLCYJUFH-DOGVGXBMSA-N 2 0 196.338 1.882 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC(C)C)CC1(C)C 259114619 573580774 /nfs/dbraw/zinc/58/07/74/573580774.db2.gz BQNDRVBPERFTOS-NSHDSACASA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)([NH3+])C(C)(C)C[NH+]1CCCC1 83645464 573580876 /nfs/dbraw/zinc/58/08/76/573580876.db2.gz HDRBIYYQKGFXRZ-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP Cc1ccc(CC[NH2+]CC[C@H](C)[NH3+])o1 258805177 573580951 /nfs/dbraw/zinc/58/09/51/573580951.db2.gz RUUCQXGQHKHZKN-VIFPVBQESA-N 2 0 196.294 1.457 10 0 ADAERP CC(C)[NH+]1CCC([C@H](C)C[NH3+])CC1 259517604 573580974 /nfs/dbraw/zinc/58/09/74/573580974.db2.gz SMHLGMSZUDQBRV-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)([NH3+])C[C@H]([NH3+])c1ccc[nH]1 259514795 573581022 /nfs/dbraw/zinc/58/10/22/573581022.db2.gz VKPMLJWJDFKQKK-ZETCQYMHSA-N 2 0 167.256 1.142 10 0 ADAERP CCC(CC)C[NH2+]CC1(C[NH3+])CC1 130459098 573583446 /nfs/dbraw/zinc/58/34/46/573583446.db2.gz ZUEVPDVZJBHZMI-UHFFFAOYSA-N 2 0 184.327 1.751 10 0 ADAERP C[N@@H+](Cc1cc[nH]c1)C[C@H]1CC[NH2+]C1 258805398 573581366 /nfs/dbraw/zinc/58/13/66/573581366.db2.gz DDRJOHWZVLXRLY-NSHDSACASA-N 2 0 193.294 1.056 10 0 ADAERP CC(C)([NH3+])[C@](C)(Cl)CC[NH3+] 144311826 573581450 /nfs/dbraw/zinc/58/14/50/573581450.db2.gz HPCGXZHHKBBPEK-SSDOTTSWSA-N 2 0 164.680 1.070 10 0 ADAERP CCC[N@H+](C)CC1(C[NH2+]C)CCC1 259116778 573581489 /nfs/dbraw/zinc/58/14/89/573581489.db2.gz XZDFSIVHOINGRJ-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP CC[C@H](C)[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258802087 573581501 /nfs/dbraw/zinc/58/15/01/573581501.db2.gz SRYWPTBDEGZBAQ-IUCAKERBSA-N 2 0 170.300 1.515 10 0 ADAERP CC[NH2+]C[C@@H](C)[N@H+]1C[C@H]2CCC[C@H]2C1 126547816 573581549 /nfs/dbraw/zinc/58/15/49/573581549.db2.gz ZVBHQLPEYFVRFN-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP C1CC[N@H+]2CC[C@H]([NH2+]C3CC3)[C@@H]2C1 107412714 573581561 /nfs/dbraw/zinc/58/15/61/573581561.db2.gz VQJMSODZLFYQPZ-QWRGUYRKSA-N 2 0 180.295 1.365 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CC1CCCC1 258797691 573581604 /nfs/dbraw/zinc/58/16/04/573581604.db2.gz COAJHUZIIKEDHP-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CC(C)(C)C[NH2+]CC(C)(C)CC[NH3+] 258807773 573581748 /nfs/dbraw/zinc/58/17/48/573581748.db2.gz DFZTVQVZRPMZDQ-UHFFFAOYSA-N 2 0 186.343 1.997 10 0 ADAERP C[NH2+][C@@H](CC(C)C)C(C)(C)CC[NH3+] 259115979 573581777 /nfs/dbraw/zinc/58/17/77/573581777.db2.gz BBGINDWUGNUEKR-JTQLQIEISA-N 2 0 186.343 1.996 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]CC1CCCC1 258796640 573581792 /nfs/dbraw/zinc/58/17/92/573581792.db2.gz QUWARKWGWPFMKL-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@@H](C[NH2+]CCC[C@@H](C)[NH3+])OC 308402525 573581844 /nfs/dbraw/zinc/58/18/44/573581844.db2.gz JMMPPCQWXJICJC-ZJUUUORDSA-N 2 0 188.315 1.128 10 0 ADAERP CC[NH2+]C[C@H](C)[N@H+]1C[C@H]2CCC[C@H]2C1 126548028 573581875 /nfs/dbraw/zinc/58/18/75/573581875.db2.gz ZVBHQLPEYFVRFN-SDDRHHMPSA-N 2 0 196.338 1.716 10 0 ADAERP C[N@H+](CC1CCC1)C(C)(C)CC[NH3+] 258798167 573581883 /nfs/dbraw/zinc/58/18/83/573581883.db2.gz JVTNDESKNAQJKK-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])c1ccc2c(c1)[C@H]([NH3+])CO2 238445536 573581913 /nfs/dbraw/zinc/58/19/13/573581913.db2.gz SIEXPQNSSHXHQG-IMTBSYHQSA-N 2 0 178.235 1.099 10 0 ADAERP C1C[C@H]2C[C@]3(CC[NH2+]C3)CC[N@@H+]2C1 107412711 573581914 /nfs/dbraw/zinc/58/19/14/573581914.db2.gz YYWSCLHIACGDHU-QWRGUYRKSA-N 2 0 180.295 1.224 10 0 ADAERP C[NH2+][C@H](CC(C)C)C(C)(C)CC[NH3+] 259115983 573581932 /nfs/dbraw/zinc/58/19/32/573581932.db2.gz BBGINDWUGNUEKR-SNVBAGLBSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]Cc1ccnc(C[NH3+])c1 130452497 573581969 /nfs/dbraw/zinc/58/19/69/573581969.db2.gz BSWUYKWWXALCHA-KWQFWETISA-N 2 0 191.278 1.038 10 0 ADAERP CC(C)CC[NH2+]CC(C)(C)C[NH3+] 258807511 573582229 /nfs/dbraw/zinc/58/22/29/573582229.db2.gz UDIITNYPJDRWRR-UHFFFAOYSA-N 2 0 172.316 1.607 10 0 ADAERP CO[C@@]1(C)CCC[N@H+](C/C=C\C[NH3+])C1 308403980 573582248 /nfs/dbraw/zinc/58/22/48/573582248.db2.gz GVFSIMGZLRSAEG-BYCRGOAPSA-N 2 0 198.310 1.002 10 0 ADAERP [NH3+][C@H](C1CCC1)C1CC[NH2+]CC1 259519928 573582323 /nfs/dbraw/zinc/58/23/23/573582323.db2.gz VTBITVHVZSWQEK-SNVBAGLBSA-N 2 0 168.284 1.113 10 0 ADAERP [NH3+]Cc1ccc([C@@H]([NH3+])C2CCC2)cc1 259516737 573582337 /nfs/dbraw/zinc/58/23/37/573582337.db2.gz VODBMLKPHICKKU-LBPRGKRZSA-N 2 0 190.290 1.945 10 0 ADAERP CC[N@H+](C)CC(C)(C)C(C)(C)[NH3+] 83645520 573582390 /nfs/dbraw/zinc/58/23/90/573582390.db2.gz ZZJHFAHIHVQHJR-UHFFFAOYSA-N 2 0 172.316 1.702 10 0 ADAERP CCc1nc(C)c([C@H]2CCC[NH2+]C2)[nH]1 257833091 573582424 /nfs/dbraw/zinc/58/24/24/573582424.db2.gz KAFYKTPFFBQGCG-VIFPVBQESA-N 2 0 193.294 1.748 10 0 ADAERP C[NH2+][C@@H](c1ccccc1C)[C@@H](C)C[NH3+] 259519614 573582475 /nfs/dbraw/zinc/58/24/75/573582475.db2.gz SCYVPKOVHPXVJL-CMPLNLGQSA-N 2 0 192.306 1.850 10 0 ADAERP CCC[C@H]([NH3+])[C@H](C)CC[NH3+] 259520074 573582534 /nfs/dbraw/zinc/58/25/34/573582534.db2.gz VUAPQJPGQKZDMT-SFYZADRCSA-N 2 0 144.262 1.099 10 0 ADAERP CN1CC[NH+]=C1C[C@H]([NH3+])C(C)(C)C 82393629 573582564 /nfs/dbraw/zinc/58/25/64/573582564.db2.gz OSLCVRDPULVNKE-QMMMGPOBSA-N 2 0 183.299 1.094 10 0 ADAERP CC(C)CC[NH2+]C[C@@H]1CC[NH2+]C1 258802232 573582633 /nfs/dbraw/zinc/58/26/33/573582633.db2.gz SVGDOSRVFKSQOK-JTQLQIEISA-N 2 0 170.300 1.232 10 0 ADAERP C[C@@H]1CO[C@@H](C[C@H]2CCC[N@H+](C)C2)[NH2+]1 258800018 573582652 /nfs/dbraw/zinc/58/26/52/573582652.db2.gz YBMZJHGOYPLZAA-MXWKQRLJSA-N 2 0 198.310 1.053 10 0 ADAERP CC[C@H](C[NH2+]CCC[C@@H](C)[NH3+])OC 308402519 573582793 /nfs/dbraw/zinc/58/27/93/573582793.db2.gz JMMPPCQWXJICJC-NXEZZACHSA-N 2 0 188.315 1.128 10 0 ADAERP C[NH2+]CC1(C[NH2+]CC2CCCC2)CC1 258799299 573582811 /nfs/dbraw/zinc/58/28/11/573582811.db2.gz AKMYXQUHEFAUPA-UHFFFAOYSA-N 2 0 196.338 1.766 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]Cc1ccnc(C[NH3+])c1 130452217 573582837 /nfs/dbraw/zinc/58/28/37/573582837.db2.gz BSWUYKWWXALCHA-KCJUWKMLSA-N 2 0 191.278 1.038 10 0 ADAERP C1C[C@H]2C[C@@]3(CC[NH2+]C3)CC[N@@H+]2C1 107412707 573582936 /nfs/dbraw/zinc/58/29/36/573582936.db2.gz YYWSCLHIACGDHU-WDEREUQCSA-N 2 0 180.295 1.224 10 0 ADAERP C[C@@H](C[NH3+])C[C@@H]([NH3+])c1ccc(F)cc1 259516825 573582957 /nfs/dbraw/zinc/58/29/57/573582957.db2.gz VPIGYCSWZSCFRD-LDYMZIIASA-N 2 0 196.269 1.810 10 0 ADAERP C1C[C@@H]2C[C@@]3(CC[NH2+]C3)CC[N@@H+]2C1 107412706 573582958 /nfs/dbraw/zinc/58/29/58/573582958.db2.gz YYWSCLHIACGDHU-GHMZBOCLSA-N 2 0 180.295 1.224 10 0 ADAERP CC(C)[C@H](C[NH3+])C[C@@H]1CCC[N@H+](C)C1 259115293 573582984 /nfs/dbraw/zinc/58/29/84/573582984.db2.gz BQQHYBMNVWKUOL-RYUDHWBXSA-N 2 0 198.354 1.949 10 0 ADAERP CCC[C@@H]([NH3+])[C@H](C)CC[NH3+] 259520069 573582999 /nfs/dbraw/zinc/58/29/99/573582999.db2.gz VUAPQJPGQKZDMT-HTQZYQBOSA-N 2 0 144.262 1.099 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)C[NH3+])C1 259520071 573583016 /nfs/dbraw/zinc/58/30/16/573583016.db2.gz SRUPIDRPQOJQBB-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)(C[NH3+])CC[NH2+]Cc1ccco1 258802136 573583051 /nfs/dbraw/zinc/58/30/51/573583051.db2.gz SSZNBTZNIVRGSC-UHFFFAOYSA-N 2 0 196.294 1.744 10 0 ADAERP CCC(CC)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 130452221 573583176 /nfs/dbraw/zinc/58/31/76/573583176.db2.gz OCPLSSOMXYAPQB-CMPLNLGQSA-N 2 0 198.354 1.868 10 0 ADAERP CCC(CC)C[NH2+]CC(C)(C)C[NH3+] 130455587 573583221 /nfs/dbraw/zinc/58/32/21/573583221.db2.gz CJCOVEQJQWUFGO-UHFFFAOYSA-N 2 0 186.343 1.997 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]CC1CCCC1 258797687 573583223 /nfs/dbraw/zinc/58/32/23/573583223.db2.gz COAJHUZIIKEDHP-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP CN1CC[NH+]=C1C[C@@H]([NH3+])C(C)(C)C 82393627 573585067 /nfs/dbraw/zinc/58/50/67/573585067.db2.gz OSLCVRDPULVNKE-MRVPVSSYSA-N 2 0 183.299 1.094 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CC1CCC1 258805138 573585068 /nfs/dbraw/zinc/58/50/68/573585068.db2.gz RTZPMLQZBIJGBJ-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP CCCC[NH2+]CC1CC([NH3+])C1 258796471 573584490 /nfs/dbraw/zinc/58/44/90/573584490.db2.gz SHFVYKBTRLSKSK-UHFFFAOYSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258802079 573584560 /nfs/dbraw/zinc/58/45/60/573584560.db2.gz SRYWPTBDEGZBAQ-BDAKNGLRSA-N 2 0 170.300 1.515 10 0 ADAERP C[C@@H]1CO[C@H](C[C@H]2CCC[N@H+](C)C2)[NH2+]1 258799982 573584586 /nfs/dbraw/zinc/58/45/86/573584586.db2.gz YBMZJHGOYPLZAA-GMTAPVOTSA-N 2 0 198.310 1.053 10 0 ADAERP CCC(CC)C[NH2+]C[C@H]1C[NH2+]C[C@H]1C 130452644 573584654 /nfs/dbraw/zinc/58/46/54/573584654.db2.gz OCPLSSOMXYAPQB-ZYHUDNBSSA-N 2 0 198.354 1.868 10 0 ADAERP CC(C)[C@H](C[NH3+])C[C@H]1CCC[N@H+](C)C1 259115286 573584681 /nfs/dbraw/zinc/58/46/81/573584681.db2.gz BQQHYBMNVWKUOL-NEPJUHHUSA-N 2 0 198.354 1.949 10 0 ADAERP C[NH2+][C@H](c1ccccc1C)[C@H](C)C[NH3+] 259519616 573584731 /nfs/dbraw/zinc/58/47/31/573584731.db2.gz SCYVPKOVHPXVJL-PWSUYJOCSA-N 2 0 192.306 1.850 10 0 ADAERP C1C[C@@H]2C[C@]3(CC[NH2+]C3)CC[N@@H+]2C1 107412709 573585124 /nfs/dbraw/zinc/58/51/24/573585124.db2.gz YYWSCLHIACGDHU-MNOVXSKESA-N 2 0 180.295 1.224 10 0 ADAERP C[C@@H]([NH3+])CCC[N@H+](C)Cc1ccc[nH]1 258802655 573584949 /nfs/dbraw/zinc/58/49/49/573584949.db2.gz CYIKEZYLOLXVTA-SNVBAGLBSA-N 2 0 195.310 1.574 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+]Cc1cc[nH]c1 258797566 573585007 /nfs/dbraw/zinc/58/50/07/573585007.db2.gz CMTVUIWMEVPGCU-VIFPVBQESA-N 2 0 181.283 1.089 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC(C)C)CC1(C)C 259114617 573585147 /nfs/dbraw/zinc/58/51/47/573585147.db2.gz BQNDRVBPERFTOS-LLVKDONJSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@H](C[NH2+]CCC[C@H](C)[NH3+])OC 308402523 573585212 /nfs/dbraw/zinc/58/52/12/573585212.db2.gz JMMPPCQWXJICJC-VHSXEESVSA-N 2 0 188.315 1.128 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CC1CCCC1 258796642 573585216 /nfs/dbraw/zinc/58/52/16/573585216.db2.gz QUWARKWGWPFMKL-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H]1CO[C@@H](C[C@@H]2CCC[N@H+](C)C2)[NH2+]1 258800064 573585243 /nfs/dbraw/zinc/58/52/43/573585243.db2.gz YBMZJHGOYPLZAA-VWYCJHECSA-N 2 0 198.310 1.053 10 0 ADAERP [NH3+][C@@H](C1CCC1)C1CC[NH2+]CC1 259519925 573585247 /nfs/dbraw/zinc/58/52/47/573585247.db2.gz VTBITVHVZSWQEK-JTQLQIEISA-N 2 0 168.284 1.113 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308402977 573585306 /nfs/dbraw/zinc/58/53/06/573585306.db2.gz JTBNZUMXUFGQHY-ZNSHCXBVSA-N 2 0 182.311 1.502 10 0 ADAERP C1CC[N@H+]2CC[C@@H]([NH2+]C3CC3)[C@@H]2C1 107412717 573585322 /nfs/dbraw/zinc/58/53/22/573585322.db2.gz VQJMSODZLFYQPZ-MNOVXSKESA-N 2 0 180.295 1.365 10 0 ADAERP Cc1[nH]c(CC(C)(C)C[NH3+])[nH+]c1C 258803387 573585335 /nfs/dbraw/zinc/58/53/35/573585335.db2.gz WZKVJUXWKMPKGS-UHFFFAOYSA-N 2 0 181.283 1.554 10 0 ADAERP CC(C)CC[NH2+]C[C@H]1CC[NH2+]C1 258802235 573585400 /nfs/dbraw/zinc/58/54/00/573585400.db2.gz SVGDOSRVFKSQOK-SNVBAGLBSA-N 2 0 170.300 1.232 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]CC1CCC1 258805140 573586531 /nfs/dbraw/zinc/58/65/31/573586531.db2.gz RTZPMLQZBIJGBJ-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H]([C@H](C)C[NH3+])C1 259520067 573586570 /nfs/dbraw/zinc/58/65/70/573586570.db2.gz SRUPIDRPQOJQBB-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@@H]([NH3+])C(C)C 259519586 573586616 /nfs/dbraw/zinc/58/66/16/573586616.db2.gz SCCBWIKOWJSADL-IUCAKERBSA-N 2 0 158.289 1.215 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CC[NH2+]C1)c1cc[nH]c1 259117738 573587094 /nfs/dbraw/zinc/58/70/94/573587094.db2.gz BVDNPFFJXTUYJP-WPRPVWTQSA-N 2 0 179.267 1.014 10 0 ADAERP [NH3+][C@H](C[C@@H]1CC[NH2+]C1)c1cc[nH]c1 259117735 573586743 /nfs/dbraw/zinc/58/67/43/573586743.db2.gz BVDNPFFJXTUYJP-WCBMZHEXSA-N 2 0 179.267 1.014 10 0 ADAERP C[NH2+][C@@H](c1ccccc1C)[C@H](C)C[NH3+] 259519618 573586770 /nfs/dbraw/zinc/58/67/70/573586770.db2.gz SCYVPKOVHPXVJL-ZYHUDNBSSA-N 2 0 192.306 1.850 10 0 ADAERP C[C@H]([NH3+])CCC[C@H]1CCC[N@H+](C)C1 259116931 573587115 /nfs/dbraw/zinc/58/71/15/573587115.db2.gz LGIKZHNEKRXRHP-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+][C@H](c1ccccc1C)[C@@H](C)C[NH3+] 259519615 573586837 /nfs/dbraw/zinc/58/68/37/573586837.db2.gz SCYVPKOVHPXVJL-JQWIXIFHSA-N 2 0 192.306 1.850 10 0 ADAERP C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C(C)(C)C1 107415302 573588510 /nfs/dbraw/zinc/58/85/10/573588510.db2.gz RCAFNDKNSFLPEN-UWVGGRQHSA-N 2 0 182.311 1.326 10 0 ADAERP C/C=C\CN1CC[C@H]([NH2+]CC)[C@H](C)C1 308405180 573588571 /nfs/dbraw/zinc/58/85/71/573588571.db2.gz LCPKVRYXLMJALS-GJJFQZOLSA-N 2 0 196.338 1.882 10 0 ADAERP C[NH2+][C@H](C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 107415262 573588665 /nfs/dbraw/zinc/58/86/65/573588665.db2.gz ABEVTQHOMKDVSL-UBJLHIIHSA-N 2 0 182.311 1.467 10 0 ADAERP CC1(C)CO[C@](C)([C@@H]2CCC[NH2+]C2)[NH2+]1 258813522 573589892 /nfs/dbraw/zinc/58/98/92/573589892.db2.gz YLPSLIJNNVCRKB-MWLCHTKSSA-N 2 0 198.310 1.101 10 0 ADAERP C[NH2+][C@@H](C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 107415259 573589414 /nfs/dbraw/zinc/58/94/14/573589414.db2.gz ABEVTQHOMKDVSL-OFLUOSHYSA-N 2 0 182.311 1.467 10 0 ADAERP CC(C)([NH3+])C1CC[NH+](C2CC2)CC1 107415264 573589518 /nfs/dbraw/zinc/58/95/18/573589518.db2.gz DITLFGTZXJQAFH-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP CCC(CC)C[NH2+]C[C@@H]1C=C[C@@H]([NH3+])C1 130465641 573589555 /nfs/dbraw/zinc/58/95/55/573589555.db2.gz VYOXLTVRIZISKH-VXGBXAGGSA-N 2 0 196.338 1.916 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1[C@H]1C[NH2+][C@H](C)C1 258063786 573589588 /nfs/dbraw/zinc/58/95/88/573589588.db2.gz DWFOIMGFBURCGT-IJLUTSLNSA-N 2 0 196.338 1.857 10 0 ADAERP C[C@H](CC[NH3+])[N@@H+]1CCC[C@H]2CCC[C@@H]21 83699970 573589779 /nfs/dbraw/zinc/58/97/79/573589779.db2.gz BZTQFLYAXWANEE-UTUOFQBUSA-N 2 0 196.338 1.988 10 0 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573590268 /nfs/dbraw/zinc/59/02/68/573590268.db2.gz BVDNPFFJXTUYJP-SCZZXKLOSA-N 2 0 179.267 1.014 10 0 ADAERP C[NH2+][C@H](C)CC1=CC[N@H+](C)CC1 258063983 573591264 /nfs/dbraw/zinc/59/12/64/573591264.db2.gz LYVTWYSSYSNUBD-SECBINFHSA-N 2 0 168.284 1.246 10 0 ADAERP CC(C)([NH3+])C[C@H]([NH3+])c1cccc(F)c1 259521671 573591034 /nfs/dbraw/zinc/59/10/34/573591034.db2.gz VUTIUSDANORWNJ-JTQLQIEISA-N 2 0 196.269 1.953 10 0 ADAERP C[NH2+]CCCC[NH2+]Cc1cccnc1 258813654 573591070 /nfs/dbraw/zinc/59/10/70/573591070.db2.gz UPJYACVQSGMMNI-UHFFFAOYSA-N 2 0 193.294 1.171 10 0 ADAERP [NH3+]CCC1(C[N@@H+]2CC[C@@H](F)C2)CC1 689908675 573591194 /nfs/dbraw/zinc/59/11/94/573591194.db2.gz JRBRCWNRVUUYGT-SECBINFHSA-N 2 0 186.274 1.159 10 0 ADAERP C[NH2+][C@H](CC(C)C)C1(C[NH3+])CC1 259521625 573591554 /nfs/dbraw/zinc/59/15/54/573591554.db2.gz UDRMLDAJUVLETH-SECBINFHSA-N 2 0 170.300 1.359 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@@H]2[NH2+]CC(C)(C)O2)C1 258808925 573591590 /nfs/dbraw/zinc/59/15/90/573591590.db2.gz YGXMYTGIKMBMEY-VHSXEESVSA-N 2 0 198.310 1.053 10 0 ADAERP CCC(CC)C[NH2+]CC[C@H](C)C[NH3+] 130467058 573591607 /nfs/dbraw/zinc/59/16/07/573591607.db2.gz PKMWSNSMMJSXOO-JTQLQIEISA-N 2 0 186.343 1.997 10 0 ADAERP CC[N@H+](CC1CC1)[C@H]1CC[NH2+]C[C@H]1C 308640913 573591654 /nfs/dbraw/zinc/59/16/54/573591654.db2.gz CYNBBIVZCTUMOU-PWSUYJOCSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]([NH3+])CCC[C@@H](C)C[NH3+] 83683999 573591876 /nfs/dbraw/zinc/59/18/76/573591876.db2.gz QRUPFRPVZVXDNZ-HTQZYQBOSA-N 2 0 144.262 1.099 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258063784 573591889 /nfs/dbraw/zinc/59/18/89/573591889.db2.gz DWFOIMGFBURCGT-GRYCIOLGSA-N 2 0 196.338 1.857 10 0 ADAERP CCC[C@@H](C[C@@H](C)C[NH3+])[NH+](C)C 259520597 573591916 /nfs/dbraw/zinc/59/19/16/573591916.db2.gz MTKCWTYDAXJILI-ZJUUUORDSA-N 2 0 172.316 1.702 10 0 ADAERP C[C@]1(C[NH2+]CCCF)CCCC[NH2+]1 393539364 573591945 /nfs/dbraw/zinc/59/19/45/573591945.db2.gz RBDOHLDNISIQHH-SNVBAGLBSA-N 2 0 188.290 1.468 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CC[NH2+]C[C@@H]1C 308640910 573591947 /nfs/dbraw/zinc/59/19/47/573591947.db2.gz CYNBBIVZCTUMOU-CMPLNLGQSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)C[C@H]([NH3+])[C@H]1CCCC[NH2+]1 259521683 573591950 /nfs/dbraw/zinc/59/19/50/573591950.db2.gz VVBVGIAPTDQXOE-VHSXEESVSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)[C@H]1C[NH2+]CC[N@@H+]2CCC[C@H]12 82394792 573593760 /nfs/dbraw/zinc/59/37/60/573593760.db2.gz IVWOYOHYGBQWRE-GHMZBOCLSA-N 2 0 182.311 1.326 10 0 ADAERP CCC[C@@H](CC(C)(C)[NH3+])[NH2+]C 259520310 573593794 /nfs/dbraw/zinc/59/37/94/573593794.db2.gz UCBCHZIZQZGQII-QMMMGPOBSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@@H]([NH3+])CCCC1CC[NH+](C)CC1 259134775 573593739 /nfs/dbraw/zinc/59/37/39/573593739.db2.gz MTUMRRXALTWOSC-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])CCCC1CC[NH+](C)CC1 259134774 573593690 /nfs/dbraw/zinc/59/36/90/573593690.db2.gz MTUMRRXALTWOSC-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[N@@H+]1CC[C@H](C[C@H]2[NH2+]CC(C)(C)O2)C1 258808927 573593711 /nfs/dbraw/zinc/59/37/11/573593711.db2.gz YGXMYTGIKMBMEY-ZJUUUORDSA-N 2 0 198.310 1.053 10 0 ADAERP C[C@H]([NH3+])CCC[C@@H](C)C[NH3+] 83684001 573594720 /nfs/dbraw/zinc/59/47/20/573594720.db2.gz QRUPFRPVZVXDNZ-SFYZADRCSA-N 2 0 144.262 1.099 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+]CCC(C)(C)C 258810689 573594761 /nfs/dbraw/zinc/59/47/61/573594761.db2.gz DNKHIKVUZOCPHN-JTQLQIEISA-N 2 0 186.343 1.997 10 0 ADAERP C[NH2+][C@H](CC[NH3+])c1ccccc1OC 259136827 573594989 /nfs/dbraw/zinc/59/49/89/573594989.db2.gz AZIWGQCDTVLJMJ-SNVBAGLBSA-N 2 0 194.278 1.305 10 0 ADAERP C[C@@H](CC[NH3+])[C@@H]([NH3+])c1ccc(F)cc1 259523653 573595028 /nfs/dbraw/zinc/59/50/28/573595028.db2.gz VXYVUODUUVSOPH-GZMMTYOYSA-N 2 0 196.269 1.810 10 0 ADAERP CC[C@@](C)([NH3+])C[NH2+]C(C)C 78724431 573595367 /nfs/dbraw/zinc/59/53/67/573595367.db2.gz APFJLGSHVRYWGE-MRVPVSSYSA-N 2 0 144.262 1.112 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 259523472 573595378 /nfs/dbraw/zinc/59/53/78/573595378.db2.gz UGTPPIZQLUEOQM-GXSJLCMTSA-N 2 0 193.294 1.417 10 0 ADAERP CC[C@@]1(C[NH2+]CCC2CC2)CCC[NH2+]1 215395012 573596212 /nfs/dbraw/zinc/59/62/12/573596212.db2.gz OZONVJHQSAWXNQ-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP [NH3+][C@H](c1ccccn1)C1CC[NH2+]CC1 259135983 573595405 /nfs/dbraw/zinc/59/54/05/573595405.db2.gz CQOIUQQAUNVLLP-NSHDSACASA-N 2 0 191.278 1.081 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])c1ccc(F)cc1 259523658 573595411 /nfs/dbraw/zinc/59/54/11/573595411.db2.gz VXYVUODUUVSOPH-LDYMZIIASA-N 2 0 196.269 1.810 10 0 ADAERP CC[C@@H]1CC[NH2+][C@H]([C@H](F)CC[NH3+])C1 130486530 573595456 /nfs/dbraw/zinc/59/54/56/573595456.db2.gz RHKQTQLINLADKX-BBBLOLIVSA-N 2 0 188.290 1.452 10 0 ADAERP C[NH2+][C@@H](C[C@H](C)[NH3+])c1ccccc1C 259524375 573595477 /nfs/dbraw/zinc/59/54/77/573595477.db2.gz SISKTYDFMNWOAO-JQWIXIFHSA-N 2 0 192.306 1.993 10 0 ADAERP CC[C@]1(C[NH2+]C2CCC2)CCC[NH2+]1 215408356 573595501 /nfs/dbraw/zinc/59/55/01/573595501.db2.gz CRORVUXJHMTFDB-LLVKDONJSA-N 2 0 182.311 1.661 10 0 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/nfs/dbraw/zinc/59/60/41/573596041.db2.gz CYKIIHRQDWCRNU-NSHDSACASA-N 2 0 182.311 1.518 10 0 ADAERP CC[C@@]1(C[NH2+]C(C)(C)C)CCC[NH2+]1 215387948 573596122 /nfs/dbraw/zinc/59/61/22/573596122.db2.gz WKLBLQZUJRHNAT-NSHDSACASA-N 2 0 184.327 1.907 10 0 ADAERP NC(=[NH2+])CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 83701180 573596160 /nfs/dbraw/zinc/59/61/60/573596160.db2.gz DJGJGCRIFPCBMQ-VHSXEESVSA-N 2 0 195.310 1.577 10 0 ADAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)C[NH3+] 259524450 573596244 /nfs/dbraw/zinc/59/62/44/573596244.db2.gz SJDRJFWRMBRPNB-MWLCHTKSSA-N 2 0 178.279 1.542 10 0 ADAERP C[NH2+][C@H](C[C@@H](C)[NH3+])c1ccccc1C 259524383 573596626 /nfs/dbraw/zinc/59/66/26/573596626.db2.gz SISKTYDFMNWOAO-ZYHUDNBSSA-N 2 0 192.306 1.993 10 0 ADAERP CC(C)C[NH+]1CCC(N)(CF)CC1 259523217 573596716 /nfs/dbraw/zinc/59/67/16/573596716.db2.gz AKKGYXSGZBYOSL-UHFFFAOYSA-N 2 0 188.290 1.405 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@@H]([C@@H](F)C[NH3+])C1 257835921 573596813 /nfs/dbraw/zinc/59/68/13/573596813.db2.gz 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1.661 10 0 ADAERP CC(C)[N@H+]1CC=C(C[NH2+]C2CC2)CC1 258070571 573597731 /nfs/dbraw/zinc/59/77/31/573597731.db2.gz MGAXUYMUFCRXDL-UHFFFAOYSA-N 2 0 194.322 1.779 10 0 ADAERP [NH3+][C@H](C[NH2+]C1CCC1)C1CCC1 258410704 573597789 /nfs/dbraw/zinc/59/77/89/573597789.db2.gz VOMKALBEOYCXBN-SNVBAGLBSA-N 2 0 168.284 1.256 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]Cc1cccnc1 258816488 573599032 /nfs/dbraw/zinc/59/90/32/573599032.db2.gz URTJCHIFBBJVHA-JTQLQIEISA-N 2 0 193.294 1.299 10 0 ADAERP CCN(C)C[C@]1(CC)CCC[NH2+]1 215402646 573599084 /nfs/dbraw/zinc/59/90/84/573599084.db2.gz PGQKFVHHMYAOSX-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+]CCC[C@@H]([NH3+])c1cccc(F)c1 259138764 573598807 /nfs/dbraw/zinc/59/88/07/573598807.db2.gz CSOVWDUGHWMUEB-LLVKDONJSA-N 2 0 196.269 1.825 10 0 ADAERP CC(C)[C@@](C)([NH3+])Cc1nccn1C 86750630 573598831 /nfs/dbraw/zinc/59/88/31/573598831.db2.gz KMEVIRVGZQHBGS-JTQLQIEISA-N 2 0 181.283 1.336 10 0 ADAERP C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C2(CCC2)C1 107428497 573598925 /nfs/dbraw/zinc/59/89/25/573598925.db2.gz QRUXUQZMEYIYAM-MNOVXSKESA-N 2 0 194.322 1.470 10 0 ADAERP CCn1ccnc1CC(C)(C)[NH3+] 86750603 573598936 /nfs/dbraw/zinc/59/89/36/573598936.db2.gz KCGLURXMOHLHQP-UHFFFAOYSA-N 2 0 167.256 1.183 10 0 ADAERP Cn1ccnc1CC1([NH3+])CCCC1 86750571 573598955 /nfs/dbraw/zinc/59/89/55/573598955.db2.gz UKZAUHSAEDSMDR-UHFFFAOYSA-N 2 0 179.267 1.234 10 0 ADAERP CCn1ccnc1CC1([NH3+])CCCC1 86750569 573598973 /nfs/dbraw/zinc/59/89/73/573598973.db2.gz ATIAIPBRCUFWOI-UHFFFAOYSA-N 2 0 193.294 1.717 10 0 ADAERP CC1(C)CC(C[NH3+])([C@H]2CCC[NH2+]C2)C1 257836126 573600438 /nfs/dbraw/zinc/60/04/38/573600438.db2.gz ALZHJVBAFMJJLW-JTQLQIEISA-N 2 0 196.338 1.751 10 0 ADAERP CCN(C)C[C@@]1(CC)CCC[NH2+]1 215402614 573599877 /nfs/dbraw/zinc/59/98/77/573599877.db2.gz PGQKFVHHMYAOSX-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP C1CC(C[NH2+]CC[C@H]2CCC[NH2+]C2)C1 259139741 573599901 /nfs/dbraw/zinc/59/99/01/573599901.db2.gz XBALDBZCOYPJBK-GFCCVEGCSA-N 2 0 196.338 1.766 10 0 ADAERP CC(C)[NH+]1CCC([C@@H](F)C[NH3+])CC1 257835999 573599952 /nfs/dbraw/zinc/59/99/52/573599952.db2.gz KSIBNKFGTVVVTO-JTQLQIEISA-N 2 0 188.290 1.404 10 0 ADAERP C1CC(C[NH2+]CC[C@@H]2CCC[NH2+]C2)C1 259139746 573599981 /nfs/dbraw/zinc/59/99/81/573599981.db2.gz XBALDBZCOYPJBK-LBPRGKRZSA-N 2 0 196.338 1.766 10 0 ADAERP C[C@@H]1CC[C@@]([NH3+])(Cc2nccn2C)C1 86750755 573600035 /nfs/dbraw/zinc/60/00/35/573600035.db2.gz OIBLKNBWDDJSRD-KOLCDFICSA-N 2 0 193.294 1.480 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@]1(CC)CCC[NH2+]1 215393813 573600037 /nfs/dbraw/zinc/60/00/37/573600037.db2.gz ADVDHIWGKFAEIA-WDEREUQCSA-N 2 0 184.327 1.907 10 0 ADAERP NC(=[NH2+])CC[N@@H+]1CCC[C@H]2CCC[C@H]21 83701178 573600095 /nfs/dbraw/zinc/60/00/95/573600095.db2.gz DJGJGCRIFPCBMQ-NXEZZACHSA-N 2 0 195.310 1.577 10 0 ADAERP CCCn1ccnc1C[C@H]([NH3+])C(C)C 86751778 573600100 /nfs/dbraw/zinc/60/01/00/573600100.db2.gz MDHZJWCJQOVDED-JTQLQIEISA-N 2 0 195.310 1.819 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)[C@H](C)CC[NH3+] 259138389 573600103 /nfs/dbraw/zinc/60/01/03/573600103.db2.gz BYIARWRJGVALIG-PSASIEDQSA-N 2 0 181.283 1.260 10 0 ADAERP CC[C@@]1(Cc2nccn2C)CCC[NH2+]1 86752879 573600137 /nfs/dbraw/zinc/60/01/37/573600137.db2.gz ODQINULKKJKFRW-NSHDSACASA-N 2 0 193.294 1.495 10 0 ADAERP C[C@@]([NH3+])(C[NH2+]CCCCF)C1CC1 393539408 573600195 /nfs/dbraw/zinc/60/01/95/573600195.db2.gz RVCGYGXOIFIMKO-SNVBAGLBSA-N 2 0 188.290 1.453 10 0 ADAERP CC[C@@](C)([NH3+])Cc1nccn1C 86750615 573600241 /nfs/dbraw/zinc/60/02/41/573600241.db2.gz AJTXZXAFQIROST-SECBINFHSA-N 2 0 167.256 1.090 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)[C@@H](C)CC[NH3+] 259138398 573600262 /nfs/dbraw/zinc/60/02/62/573600262.db2.gz BYIARWRJGVALIG-WCBMZHEXSA-N 2 0 181.283 1.260 10 0 ADAERP CCCCC[N@H+]1CC=C(C[NH3+])CC1 259137239 573600302 /nfs/dbraw/zinc/60/03/02/573600302.db2.gz IGSNEEKSDAXALX-UHFFFAOYSA-N 2 0 182.311 1.767 10 0 ADAERP CC[C@]1(C[NH2+]CC(C)C)CCC[NH2+]1 215396630 573600358 /nfs/dbraw/zinc/60/03/58/573600358.db2.gz XSFNUYFDLTUZPS-LLVKDONJSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@]1(CC)CCC[NH2+]1 215393685 573600862 /nfs/dbraw/zinc/60/08/62/573600862.db2.gz ADVDHIWGKFAEIA-MNOVXSKESA-N 2 0 184.327 1.907 10 0 ADAERP C[C@H]1CC[C@@]([NH3+])(Cc2nccn2C)C1 86750757 573600767 /nfs/dbraw/zinc/60/07/67/573600767.db2.gz OIBLKNBWDDJSRD-ONGXEEELSA-N 2 0 193.294 1.480 10 0 ADAERP C[C@H](CC[NH3+])[C@H]([NH3+])C1CCCC1 259138827 573600912 /nfs/dbraw/zinc/60/09/12/573600912.db2.gz CSYBUVUBNVUVSV-SCZZXKLOSA-N 2 0 170.300 1.489 10 0 ADAERP C[NH2+][C@H](C)c1cc(C[NH3+])ccc1OC 257837998 573600916 /nfs/dbraw/zinc/60/09/16/573600916.db2.gz LGQCCMDNGDIBEC-MRVPVSSYSA-N 2 0 194.278 1.434 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])C1CCCC1 259138824 573601351 /nfs/dbraw/zinc/60/13/51/573601351.db2.gz CSYBUVUBNVUVSV-PSASIEDQSA-N 2 0 170.300 1.489 10 0 ADAERP CC[C@@]1(CN(C)C2CC2)CCC[NH2+]1 215405048 573601007 /nfs/dbraw/zinc/60/10/07/573601007.db2.gz INFMLMOWUQMLSO-NSHDSACASA-N 2 0 182.311 1.613 10 0 ADAERP CC1(C)CC(C[NH3+])([C@@H]2CCC[NH2+]C2)C1 257836127 573601041 /nfs/dbraw/zinc/60/10/41/573601041.db2.gz ALZHJVBAFMJJLW-SNVBAGLBSA-N 2 0 196.338 1.751 10 0 ADAERP CC(C)(C)n1cc[nH+]c1NCCC[NH3+] 257836103 573601098 /nfs/dbraw/zinc/60/10/98/573601098.db2.gz ALCQOMDWCDICSI-UHFFFAOYSA-N 2 0 196.298 1.399 10 0 ADAERP C[NH2+][C@@H](C)c1cc(C[NH3+])ccc1OC 257837999 573601133 /nfs/dbraw/zinc/60/11/33/573601133.db2.gz LGQCCMDNGDIBEC-QMMMGPOBSA-N 2 0 194.278 1.434 10 0 ADAERP CC[C@](C)([NH3+])Cc1nccn1C 86750613 573601147 /nfs/dbraw/zinc/60/11/47/573601147.db2.gz AJTXZXAFQIROST-VIFPVBQESA-N 2 0 167.256 1.090 10 0 ADAERP CC[C@]1(C[NH2+]C(C)C)CCC[NH2+]1 215391349 573601151 /nfs/dbraw/zinc/60/11/51/573601151.db2.gz PLXJJMVKPSOTLW-SNVBAGLBSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)[C@]1([C@H]2CCC[NH2+]2)CCCC[NH2+]1 258070935 573601177 /nfs/dbraw/zinc/60/11/77/573601177.db2.gz FIOYWJOCSVBSHJ-NEPJUHHUSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C(C)(C)C 686247309 573601311 /nfs/dbraw/zinc/60/13/11/573601311.db2.gz WMZOMKMRGIUYET-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@@]1([C@@H]2CCC[NH2+]2)CCCC[NH2+]1 258070942 573601313 /nfs/dbraw/zinc/60/13/13/573601313.db2.gz FIOYWJOCSVBSHJ-NWDGAFQWSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H](C[NH3+])C[C@@H]([NH3+])c1ccccn1 259138545 573601397 /nfs/dbraw/zinc/60/13/97/573601397.db2.gz CROSLSVFJLCAJK-DTWKUNHWSA-N 2 0 179.267 1.066 10 0 ADAERP C[C@@H](C[NH3+])C[C@@H]([NH3+])c1ccccn1 259138554 573601477 /nfs/dbraw/zinc/60/14/77/573601477.db2.gz CROSLSVFJLCAJK-RKDXNWHRSA-N 2 0 179.267 1.066 10 0 ADAERP [NH3+]C[C@@H](c1ccccc1)[C@@H]1CC[NH2+]C1 257836623 573601705 /nfs/dbraw/zinc/60/17/05/573601705.db2.gz KXFWGIOJZXBFQD-NEPJUHHUSA-N 2 0 190.290 1.338 10 0 ADAERP Cn1ccnc1C[C@]1(C)CCC[NH2+]1 86752867 573601535 /nfs/dbraw/zinc/60/15/35/573601535.db2.gz HAFTUCHEUWYJCV-JTQLQIEISA-N 2 0 179.267 1.105 10 0 ADAERP C[C@H](C[NH3+])C[C@H]([NH3+])c1ccccn1 259138549 573601571 /nfs/dbraw/zinc/60/15/71/573601571.db2.gz CROSLSVFJLCAJK-IUCAKERBSA-N 2 0 179.267 1.066 10 0 ADAERP [NH3+][C@@H](C[C@H]1CCC[NH2+]1)c1cc[nH]c1 259138539 573601605 /nfs/dbraw/zinc/60/16/05/573601605.db2.gz CRNBYZARPUKCRH-ZJUUUORDSA-N 2 0 179.267 1.157 10 0 ADAERP Cn1ccnc1CC1([NH3+])CCCCC1 86750577 573601614 /nfs/dbraw/zinc/60/16/14/573601614.db2.gz VHGXUDAHJIZJLR-UHFFFAOYSA-N 2 0 193.294 1.624 10 0 ADAERP CC(C)C[C@@H]([NH3+])CC[C@@H](C)[NH3+] 259124802 573603245 /nfs/dbraw/zinc/60/32/45/573603245.db2.gz CERMEHISDKNVIY-BDAKNGLRSA-N 2 0 158.289 1.487 10 0 ADAERP Cn1ccnc1CC[C@@H]1CCC[NH2+]C1 86753174 573603793 /nfs/dbraw/zinc/60/37/93/573603793.db2.gz PUJJQPNNYULXKV-JTQLQIEISA-N 2 0 193.294 1.352 10 0 ADAERP C[N@H+]1C[C@@H]2CC(C)(F)C[C@H](C1)C2[NH3+] 259525527 573602709 /nfs/dbraw/zinc/60/27/09/573602709.db2.gz ARRFBIBLLMFJRN-BQKDNTBBSA-N 2 0 186.274 1.014 10 0 ADAERP C[N@H+](CCCCC(N)=[NH2+])CCC1CC1 308649104 573602804 /nfs/dbraw/zinc/60/28/04/573602804.db2.gz JHQXBTADWYIVPW-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP CCCN1CCC(C)(C)[C@@H]([NH2+]C)C1 259125106 573602810 /nfs/dbraw/zinc/60/28/10/573602810.db2.gz CMUWZAIZPJIPDV-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C(C)(C)C 686247310 573603042 /nfs/dbraw/zinc/60/30/42/573603042.db2.gz WMZOMKMRGIUYET-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@]1(Cc2nccn2C)CCC[NH2+]1 86752877 573603081 /nfs/dbraw/zinc/60/30/81/573603081.db2.gz ODQINULKKJKFRW-LLVKDONJSA-N 2 0 193.294 1.495 10 0 ADAERP CC(C)C[C@H]([NH3+])CC[C@H](C)[NH3+] 259124804 573603095 /nfs/dbraw/zinc/60/30/95/573603095.db2.gz CERMEHISDKNVIY-DTWKUNHWSA-N 2 0 158.289 1.487 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 308649100 573603113 /nfs/dbraw/zinc/60/31/13/573603113.db2.gz JHOFLMFVFBEPAG-DDHJBXDOSA-N 2 0 196.338 1.715 10 0 ADAERP C[NH2+]C/C=C/C1CC[NH+](C)CC1 259525715 573603135 /nfs/dbraw/zinc/60/31/35/573603135.db2.gz ATGCJFLTVVBPRX-ONEGZZNKSA-N 2 0 168.284 1.104 10 0 ADAERP CCc1[nH]c(C[C@@H]2CC[NH2+]C2)c(C)[nH+]1 257836645 573603144 /nfs/dbraw/zinc/60/31/44/573603144.db2.gz KYBXMRZGOTXBFJ-VIFPVBQESA-N 2 0 193.294 1.433 10 0 ADAERP C[C@H]1CC2(CCC[NH2+]C2)C[C@H](C)[NH+]1C 107432818 573603194 /nfs/dbraw/zinc/60/31/94/573603194.db2.gz XQWNFJCLDDFIJL-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H](C1CC[NH2+]CC1)[NH+](C)C 259524935 573603269 /nfs/dbraw/zinc/60/32/69/573603269.db2.gz MYAFRIUOJPJACX-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP Cn1ccnc1C[C@H]([NH3+])c1ccoc1 86752269 573603300 /nfs/dbraw/zinc/60/33/00/573603300.db2.gz VMKYMHXCYHMHEM-VIFPVBQESA-N 2 0 191.234 1.256 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 308649102 573603306 /nfs/dbraw/zinc/60/33/06/573603306.db2.gz JHOFLMFVFBEPAG-WISYIIOYSA-N 2 0 196.338 1.715 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C2CC([NH3+])C2)cc1 259124905 573603411 /nfs/dbraw/zinc/60/34/11/573603411.db2.gz CFACAEKZBXMZQX-HTAVTVPLSA-N 2 0 190.290 1.732 10 0 ADAERP C[NH2+][C@@H](C(C)(C)C)C(C)(C)CC[NH3+] 259525174 573603416 /nfs/dbraw/zinc/60/34/16/573603416.db2.gz UITSNZDDYUJEJA-VIFPVBQESA-N 2 0 186.343 1.996 10 0 ADAERP CCn1ccnc1C[C@@]1(C)CCC[NH2+]1 86752871 573603421 /nfs/dbraw/zinc/60/34/21/573603421.db2.gz OELMENGKSQJVSF-LLVKDONJSA-N 2 0 193.294 1.588 10 0 ADAERP CCCCC[N@@H+]1CC[C@H]([NH3+])C1(C)C 259525005 573603477 /nfs/dbraw/zinc/60/34/77/573603477.db2.gz VMXMXLOCPPCZKK-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CCn1ccnc1C[C@]1(C)CCC[NH2+]1 86752869 573603486 /nfs/dbraw/zinc/60/34/86/573603486.db2.gz OELMENGKSQJVSF-NSHDSACASA-N 2 0 193.294 1.588 10 0 ADAERP C1CC([C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 257836814 573603512 /nfs/dbraw/zinc/60/35/12/573603512.db2.gz AORRENCRGRCVAE-NSHDSACASA-N 2 0 194.322 1.376 10 0 ADAERP C[C@@H]1c2ccccc2[C@H]([NH3+])C[C@@H]1[NH3+] 238446997 573603513 /nfs/dbraw/zinc/60/35/13/573603513.db2.gz OOZNYELESYBIFV-PPKCKEKNSA-N 2 0 176.263 1.521 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 308649103 573603588 /nfs/dbraw/zinc/60/35/88/573603588.db2.gz JHOFLMFVFBEPAG-WYUUTHIRSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@H]1CC2(CC[NH2+]CC2)C[C@H](C)[NH+]1C 107432822 573603628 /nfs/dbraw/zinc/60/36/28/573603628.db2.gz FYXJRHVMMIIIGA-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP CC1CC([NH2+]C[C@@H]2C[NH2+]CC23CC3)C1 715997966 573603630 /nfs/dbraw/zinc/60/36/30/573603630.db2.gz GRASVIVGVHHRTA-YVNMAJEFSA-N 2 0 194.322 1.374 10 0 ADAERP C[N@H+](CCC(N)=[NH2+])CC1(C)CCCC1 308648543 573603640 /nfs/dbraw/zinc/60/36/40/573603640.db2.gz ISJBITPZYKQLSE-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP [NH3+]CCC[N@@H+]1CCC[C@H](F)CC1 258066928 573603869 /nfs/dbraw/zinc/60/38/69/573603869.db2.gz LBBSQVKOYFHOQG-VIFPVBQESA-N 2 0 174.263 1.159 10 0 ADAERP CC(C)(C[NH3+])C[C@H]([NH3+])c1cc[nH]c1 259124833 573603873 /nfs/dbraw/zinc/60/38/73/573603873.db2.gz CETMBVPJZSPYLI-VIFPVBQESA-N 2 0 181.283 1.390 10 0 ADAERP C[C@@H]1CC2(CCC[NH2+]C2)C[C@@H](C)[NH+]1C 107432820 573603883 /nfs/dbraw/zinc/60/38/83/573603883.db2.gz XQWNFJCLDDFIJL-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CC[N@@H+](C2CC2)CC1(C)C 259124927 573603939 /nfs/dbraw/zinc/60/39/39/573603939.db2.gz CLNBLKGNYQZUNK-SNVBAGLBSA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+]C[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 257836627 573603966 /nfs/dbraw/zinc/60/39/66/573603966.db2.gz KXFWGIOJZXBFQD-VXGBXAGGSA-N 2 0 190.290 1.338 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CCC[N@H+](C)C1 75542973 573603973 /nfs/dbraw/zinc/60/39/73/573603973.db2.gz GWWPRNWHLPPSPL-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP [NH3+]C[C@H](c1ccccc1)[C@H]1CC[NH2+]C1 257836624 573604027 /nfs/dbraw/zinc/60/40/27/573604027.db2.gz KXFWGIOJZXBFQD-NWDGAFQWSA-N 2 0 190.290 1.338 10 0 ADAERP C[N@@H+]1CCC[C@@H](CCC[NH3+])C1 75542971 573604203 /nfs/dbraw/zinc/60/42/03/573604203.db2.gz CGSCDMBESXOKPB-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP CCc1[nH]c(C[C@H]2CC[NH2+]C2)c(C)[nH+]1 257836644 573604275 /nfs/dbraw/zinc/60/42/75/573604275.db2.gz KYBXMRZGOTXBFJ-SECBINFHSA-N 2 0 193.294 1.433 10 0 ADAERP C[NH2+]C1(C[NH2+]CC2(C)CC2)CCCC1 308647795 573604343 /nfs/dbraw/zinc/60/43/43/573604343.db2.gz 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C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223182177 573604928 /nfs/dbraw/zinc/60/49/28/573604928.db2.gz ZWVHXTQACDIIMS-GWOFURMSSA-N 2 0 182.311 1.454 10 0 ADAERP CN[C@@H](C[C@H](C)[NH3+])c1ccccn1 259141125 573606287 /nfs/dbraw/zinc/60/62/87/573606287.db2.gz BDNXCYUOQSAMBK-WPRPVWTQSA-N 2 0 179.267 1.079 10 0 ADAERP [NH3+]C[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 257836626 573605556 /nfs/dbraw/zinc/60/55/56/573605556.db2.gz KXFWGIOJZXBFQD-RYUDHWBXSA-N 2 0 190.290 1.338 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H]([NH+](C)C)C1 308649101 573605612 /nfs/dbraw/zinc/60/56/12/573605612.db2.gz JHOFLMFVFBEPAG-KKOKHZNYSA-N 2 0 196.338 1.715 10 0 ADAERP C[NH2+][C@@H](C)CC[N@@H+]1CCCC[C@H]1C 147467834 573605707 /nfs/dbraw/zinc/60/57/07/573605707.db2.gz CYVZCUGERIATOS-WDEREUQCSA-N 2 0 184.327 1.859 10 0 ADAERP CC(C)(C[NH3+])C[C@@H]([NH3+])c1cc[nH]c1 259124831 573605873 /nfs/dbraw/zinc/60/58/73/573605873.db2.gz CETMBVPJZSPYLI-SECBINFHSA-N 2 0 181.283 1.390 10 0 ADAERP 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308643362 573615408 /nfs/dbraw/zinc/61/54/08/573615408.db2.gz FIXDPJPMJWLKGP-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP CC[C@@H]1C[N@@H+]([C@H]2CC23CC3)CCC[NH2+]1 715319030 573615486 /nfs/dbraw/zinc/61/54/86/573615486.db2.gz JDMHCBQGEJRELT-MNOVXSKESA-N 2 0 194.322 1.613 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1C[C@H](C)C[NH3+] 259529370 573615519 /nfs/dbraw/zinc/61/55/19/573615519.db2.gz UIPXTMCHZSCZKA-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@H]1CCC[NH3+] 82400772 573615608 /nfs/dbraw/zinc/61/56/08/573615608.db2.gz DFHWKUFFOXHWNJ-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CCCC[N@H+](C)C[C@@H]1C[NH2+]CC12CC2 716004210 573616484 /nfs/dbraw/zinc/61/64/84/573616484.db2.gz XCICLTFLFHWRAS-NSHDSACASA-N 2 0 196.338 1.718 10 0 ADAERP CC[C@H](C[C@H]1CC[NH2+]C1)[NH+](C)C 259528495 573618304 /nfs/dbraw/zinc/61/83/04/573618304.db2.gz NBMVCKUGRRDXEM-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[C@@H](C[C@H]1CC[NH2+]C1)[NH+](C)C 259528502 573619308 /nfs/dbraw/zinc/61/93/08/573619308.db2.gz NBMVCKUGRRDXEM-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+]CC[C@@H]([NH3+])c1cccc(OC)c1 259530638 573617410 /nfs/dbraw/zinc/61/74/10/573617410.db2.gz WIQGAVAFPPUTCD-LLVKDONJSA-N 2 0 194.278 1.305 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]2CCC[C@@H]21 107457265 573617487 /nfs/dbraw/zinc/61/74/87/573617487.db2.gz REVOGRLFDXCORH-BBBLOLIVSA-N 2 0 168.284 1.066 10 0 ADAERP CC[N@@H+]1CCC[C@H]1C[C@H](C)C[NH3+] 259529369 573617640 /nfs/dbraw/zinc/61/76/40/573617640.db2.gz UIPXTMCHZSCZKA-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1C 107455756 573617726 /nfs/dbraw/zinc/61/77/26/573617726.db2.gz NZUAPTKBQIJERD-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C/C=C\C[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 308407833 573617884 /nfs/dbraw/zinc/61/78/84/573617884.db2.gz VBCWVLAUQPVWKF-RXNFCKPNSA-N 2 0 196.338 1.882 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])C[C@@H]1C1CC1 107457263 573618040 /nfs/dbraw/zinc/61/80/40/573618040.db2.gz HDISMJIPRUZARX-PSASIEDQSA-N 2 0 168.284 1.066 10 0 ADAERP CC[N@@H+]1CC[C@H](CCC[NH3+])C1 107455717 573618150 /nfs/dbraw/zinc/61/81/50/573618150.db2.gz DVUZOUWFZWVTDK-VIFPVBQESA-N 2 0 156.273 1.067 10 0 ADAERP [NH3+]C1([C@@H]2CCC[NH2+]C2)CC(F)(F)C1 259530211 573618407 /nfs/dbraw/zinc/61/84/07/573618407.db2.gz AZZXGNBMKRGBCP-SSDOTTSWSA-N 2 0 190.237 1.113 10 0 ADAERP CC(F)(F)C[C@]1([NH3+])CCC[NH2+]CC1 259530604 573618460 /nfs/dbraw/zinc/61/84/60/573618460.db2.gz BCINMEGTVLMAPF-VIFPVBQESA-N 2 0 192.253 1.503 10 0 ADAERP C[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)C(C)(C)C 394367661 573618549 /nfs/dbraw/zinc/61/85/49/573618549.db2.gz UJVLOBSVWXTCSR-ZJUUUORDSA-N 2 0 186.343 1.961 10 0 ADAERP C[NH+](C)[C@H](CCC[NH3+])C(C)(C)C 259530409 573618603 /nfs/dbraw/zinc/61/86/03/573618603.db2.gz NGIRFQOFHLMQDX-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP CC(C)(C)[C@H]1[C@H]([NH3+])C2CC[NH+]1CC2 259530454 573618802 /nfs/dbraw/zinc/61/88/02/573618802.db2.gz BCAQIGUVFMERNH-NXEZZACHSA-N 2 0 182.311 1.454 10 0 ADAERP CC[N@@H+]1CC[C@@H](CCC[NH3+])C1 107455719 573618874 /nfs/dbraw/zinc/61/88/74/573618874.db2.gz DVUZOUWFZWVTDK-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP C[C@@H]1CC[C@H](C[C@@H]2CCCC[NH2+]2)[NH2+]C1 238451257 573618937 /nfs/dbraw/zinc/61/89/37/573618937.db2.gz TVWQKHPNUULLSL-GRYCIOLGSA-N 2 0 196.338 1.907 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1C[C@@H](C)C[NH3+] 259529367 573619029 /nfs/dbraw/zinc/61/90/29/573619029.db2.gz UIPXTMCHZSCZKA-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCCC1C[NH+](C[C@@]2(C)CC[NH2+]C2)C1 308643363 573619074 /nfs/dbraw/zinc/61/90/74/573619074.db2.gz FIXDPJPMJWLKGP-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)CCC1CCC1 258823640 573619108 /nfs/dbraw/zinc/61/91/08/573619108.db2.gz UNTFHXXAKYMLQF-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C1CC1 107457282 573619283 /nfs/dbraw/zinc/61/92/83/573619283.db2.gz MFMBBBFRPNOKNK-WCBMZHEXSA-N 2 0 168.284 1.066 10 0 ADAERP C/C=C\C[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 308407832 573619388 /nfs/dbraw/zinc/61/93/88/573619388.db2.gz VBCWVLAUQPVWKF-QMAVJUDZSA-N 2 0 196.338 1.882 10 0 ADAERP C[N@@H+]1C[C@H](C[NH3+])[C@H]2CCCC[C@@H]21 107457207 573619773 /nfs/dbraw/zinc/61/97/73/573619773.db2.gz VVOJICUEBYWOFT-AEJSXWLSSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)(C)[C@@H]1[C@H]([NH3+])C2CC[NH+]1CC2 259530493 573619792 /nfs/dbraw/zinc/61/97/92/573619792.db2.gz BCAQIGUVFMERNH-ZJUUUORDSA-N 2 0 182.311 1.454 10 0 ADAERP CCC[C@H]([NH3+])C1(C[NH2+]C)CCC1 259532368 573620842 /nfs/dbraw/zinc/62/08/42/573620842.db2.gz SWUOISLEVPNLQN-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](C)C1CC1 308643996 573621092 /nfs/dbraw/zinc/62/10/92/573621092.db2.gz FYKNFJUNJPPGFK-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+]C[C@@H](C)[C@H](C)[N@H+](C)CCC1CC1 308643783 573621227 /nfs/dbraw/zinc/62/12/27/573621227.db2.gz GIIQDTIYFCDYRH-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H](C)[NH3+] 308643936 573621305 /nfs/dbraw/zinc/62/13/05/573621305.db2.gz FVIGBCJILFWPOY-BDAKNGLRSA-N 2 0 196.338 1.748 10 0 ADAERP [NH3+]C1([C@H]2CCC[NH2+]C2)CC(F)(F)C1 259530212 573621333 /nfs/dbraw/zinc/62/13/33/573621333.db2.gz AZZXGNBMKRGBCP-ZETCQYMHSA-N 2 0 190.237 1.113 10 0 ADAERP [NH3+][C@@H]1CCC[N@@H+](C2CCCC2)CC1 107460087 573621439 /nfs/dbraw/zinc/62/14/39/573621439.db2.gz CLRALDXZFPOPON-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP CC(C)(C)[C@H]([NH3+])C[C@@H]1CCC[NH2+]1 259530821 573623203 /nfs/dbraw/zinc/62/32/03/573623203.db2.gz WJOCMLFSCPQROQ-DTWKUNHWSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]1C[NH2+]CC2(CC[NH+](C)CC2)C1 238452710 573623300 /nfs/dbraw/zinc/62/33/00/573623300.db2.gz QOUSATAKCFVGRZ-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP CC[C@@]1(CC[NH+](C)C)CCCC[NH2+]1 258070478 573623382 /nfs/dbraw/zinc/62/33/82/573623382.db2.gz UKNIVOBYEVUFJM-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CCC[C@@H]([NH3+])C1(C[NH2+]C)CCC1 259532364 573623399 /nfs/dbraw/zinc/62/33/99/573623399.db2.gz SWUOISLEVPNLQN-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP C[NH2+]CC1([C@H]([NH3+])C2CCCC2)CC1 259532307 573623493 /nfs/dbraw/zinc/62/34/93/573623493.db2.gz SWPFPWISPAPBOM-SNVBAGLBSA-N 2 0 182.311 1.504 10 0 ADAERP C[NH2+][C@H](c1ccccn1)C1CC([NH3+])C1 259131685 573623507 /nfs/dbraw/zinc/62/35/07/573623507.db2.gz BQIHUNAVRHAEPT-AMUVOQDHSA-N 2 0 191.278 1.079 10 0 ADAERP C[NH2+][C@H](C[C@@H](C)[NH3+])C(C)(C)C 259131945 573623621 /nfs/dbraw/zinc/62/36/21/573623621.db2.gz AWBFBBDVQGQDRC-HTQZYQBOSA-N 2 0 158.289 1.358 10 0 ADAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](C)C1CC1 308643995 573623632 /nfs/dbraw/zinc/62/36/32/573623632.db2.gz FYKNFJUNJPPGFK-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP COc1ccc([C@H](C)[NH3+])cc1C[NH3+] 257834140 573623644 /nfs/dbraw/zinc/62/36/44/573623644.db2.gz KODDTIFRXOTQKI-ZETCQYMHSA-N 2 0 180.251 1.174 10 0 ADAERP [NH3+][C@H]1CCC[N@@H+](C2CCCC2)CC1 107460083 573623663 /nfs/dbraw/zinc/62/36/63/573623663.db2.gz CLRALDXZFPOPON-JTQLQIEISA-N 2 0 182.311 1.742 10 0 ADAERP CCC[C@H](CCC(C)(C)[NH3+])[NH2+]C 259533162 573623674 /nfs/dbraw/zinc/62/36/74/573623674.db2.gz UTFQJTZRHQZDEI-SECBINFHSA-N 2 0 172.316 1.892 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]2CCCC[C@@H]21 107460160 573623873 /nfs/dbraw/zinc/62/38/73/573623873.db2.gz CXHBOBYVQCDDHI-MXWKQRLJSA-N 2 0 182.311 1.456 10 0 ADAERP C[NH+](C)CCC1(CC[NH3+])CC1 82406163 573623990 /nfs/dbraw/zinc/62/39/90/573623990.db2.gz CQBLPCKVXQGOGB-UHFFFAOYSA-N 2 0 156.273 1.067 10 0 ADAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1[C@H]2CCC[C@H]21 308659457 573623998 /nfs/dbraw/zinc/62/39/98/573623998.db2.gz PLDSEVKMIBWPLV-WYUUTHIRSA-N 2 0 196.338 1.715 10 0 ADAERP C[NH2+][C@@H](C[C@H](C)[NH3+])C(C)(C)C 259131951 573624071 /nfs/dbraw/zinc/62/40/71/573624071.db2.gz AWBFBBDVQGQDRC-YUMQZZPRSA-N 2 0 158.289 1.358 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)CCC1CCC1 258823638 573624327 /nfs/dbraw/zinc/62/43/27/573624327.db2.gz UNTFHXXAKYMLQF-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CC(C1CC1)C1CC1 308643937 573624406 /nfs/dbraw/zinc/62/44/06/573624406.db2.gz FVIGBCJILFWPOY-DTWKUNHWSA-N 2 0 196.338 1.748 10 0 ADAERP C[NH2+]C[C@@H](C)[C@@H](C)[N@H+](C)CCC1CC1 308643782 573624568 /nfs/dbraw/zinc/62/45/68/573624568.db2.gz GIIQDTIYFCDYRH-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]CC(C1CC1)C1CC1 308643938 573624641 /nfs/dbraw/zinc/62/46/41/573624641.db2.gz FVIGBCJILFWPOY-IUCAKERBSA-N 2 0 196.338 1.748 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])C[C@@H]1CCC[NH2+]1 259530826 573624673 /nfs/dbraw/zinc/62/46/73/573624673.db2.gz WJOCMLFSCPQROQ-IUCAKERBSA-N 2 0 170.300 1.502 10 0 ADAERP C[NH2+]C[C@H](C)[C@@H](C)[N@H+](C)CCC1CC1 308643785 573624688 /nfs/dbraw/zinc/62/46/88/573624688.db2.gz GIIQDTIYFCDYRH-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308659365 573624727 /nfs/dbraw/zinc/62/47/27/573624727.db2.gz PINMKJWIEYUFSJ-WYUUTHIRSA-N 2 0 196.338 1.892 10 0 ADAERP C[NH2+]CC[C@H]([NH2+]C)C1CCCC1 259530880 573624799 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WHFJNKZZRYIJPI-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP C1C[NH2+]C[C@@H](C[NH2+][C@@H]2CC23CC3)C1 715322780 573626206 /nfs/dbraw/zinc/62/62/06/573626206.db2.gz WFHUQKFLAIJXML-VHSXEESVSA-N 2 0 180.295 1.128 10 0 ADAERP CC[C@@H](C)[C@H]([NH3+])C[NH2+][C@H]1C[C@H]1CC 393543426 573626262 /nfs/dbraw/zinc/62/62/62/573626262.db2.gz AGGWAXJHRPFRAS-DBIOUOCHSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@@H](C[NH3+])[C@H]([NH+](C)C)C(C)(C)C 259532510 573626345 /nfs/dbraw/zinc/62/63/45/573626345.db2.gz NIJIONORGPXWSZ-IUCAKERBSA-N 2 0 172.316 1.558 10 0 ADAERP CC(C)([NH3+])C[NH2+]CCC1CCCC1 258825618 573626508 /nfs/dbraw/zinc/62/65/08/573626508.db2.gz LTYJGICWPPCPFF-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP C[C@](N)(C[NH3+])c1ccc(F)c(F)c1 259133352 573626563 /nfs/dbraw/zinc/62/65/63/573626563.db2.gz SQPWHMPGANPZTE-VIFPVBQESA-N 2 0 186.205 1.097 10 0 ADAERP C[C@H](C[NH3+])[C@H]([NH+](C)C)C(C)(C)C 259532508 573626811 /nfs/dbraw/zinc/62/68/11/573626811.db2.gz NIJIONORGPXWSZ-BDAKNGLRSA-N 2 0 172.316 1.558 10 0 ADAERP c1c[nH]c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 259132398 573626831 /nfs/dbraw/zinc/62/68/31/573626831.db2.gz WPXAKSTYOKWHNX-SNVBAGLBSA-N 2 0 193.294 1.246 10 0 ADAERP CCC[NH2+]C[C@@](C)([NH3+])CC 86809284 573629712 /nfs/dbraw/zinc/62/97/12/573629712.db2.gz ZXAQLKSYQOXKSY-QMMMGPOBSA-N 2 0 144.262 1.113 10 0 ADAERP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C1CCC1 308659479 573630663 /nfs/dbraw/zinc/63/06/63/573630663.db2.gz PLQVOCQGWWLHFR-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@](C)([NH3+])C[N@@H+]1CCC[C@@H]1C 86809240 573630636 /nfs/dbraw/zinc/63/06/36/573630636.db2.gz LEOKGZCAADFHFP-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+]CCC1CC1 86810675 573630670 /nfs/dbraw/zinc/63/06/70/573630670.db2.gz FJVKQBDONOSHQK-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H](C[NH3+])[C@@H]([NH+](C)C)C(C)(C)C 259532509 573630722 /nfs/dbraw/zinc/63/07/22/573630722.db2.gz NIJIONORGPXWSZ-DTWKUNHWSA-N 2 0 172.316 1.558 10 0 ADAERP CC1(C)C[NH2+][C@@](C)(C2CC[NH2+]CC2)O1 258824898 573630815 /nfs/dbraw/zinc/63/08/15/573630815.db2.gz YVYYQHSQRXKHTG-LLVKDONJSA-N 2 0 198.310 1.101 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+]C(C)(C)C 86809288 573631337 /nfs/dbraw/zinc/63/13/37/573631337.db2.gz RTTPXVFZNHJZBN-VIFPVBQESA-N 2 0 158.289 1.502 10 0 ADAERP CC[C@](C)([NH3+])C[NH2+]CC(C)C 86809313 573630941 /nfs/dbraw/zinc/63/09/41/573630941.db2.gz NOZVKINBKDFXJV-VIFPVBQESA-N 2 0 158.289 1.359 10 0 ADAERP Cc1ccc([C@H]([NH3+])CC[C@@H](C)[NH3+])o1 259532709 573631101 /nfs/dbraw/zinc/63/11/01/573631101.db2.gz WLXFXLIUQXZNRA-VXNVDRBHSA-N 2 0 182.267 1.715 10 0 ADAERP C[N@H+](CCC1CC1)C[C@@H]1C=C[C@@H]([NH3+])C1 308650644 573632975 /nfs/dbraw/zinc/63/29/75/573632975.db2.gz KFRNDLSYTJRXEK-VXGBXAGGSA-N 2 0 194.322 1.622 10 0 ADAERP [NH3+][C@H]1C[NH2+]CC[C@@H]1Cc1ccccc1 223674752 573633966 /nfs/dbraw/zinc/63/39/66/573633966.db2.gz AQIMFLQVFRYESV-NEPJUHHUSA-N 2 0 190.290 1.166 10 0 ADAERP CC[C@@](C)([NH3+])C[N@@H+]1CC[C@H](C)C1 86809388 573634186 /nfs/dbraw/zinc/63/41/86/573634186.db2.gz SHRBYKFFMHEAIL-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP Cc1cccc([C@H]([NH3+])[C@H](C)C[NH3+])c1 259536026 573633052 /nfs/dbraw/zinc/63/30/52/573633052.db2.gz WRLRKPPEETUFRB-MWLCHTKSSA-N 2 0 178.279 1.590 10 0 ADAERP CCC([NH3+])(CC)C[NH+]1CCCCC1 86814296 573633062 /nfs/dbraw/zinc/63/30/62/573633062.db2.gz LKDHBHLUQPZBJE-UHFFFAOYSA-N 2 0 184.327 1.990 10 0 ADAERP C[C@@H]1C[C@H](C[C@H]2CCC[NH2+]2)C[NH2+]1 258073755 573633232 /nfs/dbraw/zinc/63/32/32/573633232.db2.gz FNCMJKZIAIXLMO-OPRDCNLKSA-N 2 0 168.284 1.127 10 0 ADAERP CCC[NH2+]C[C@](C)([NH3+])CC 86809282 573633272 /nfs/dbraw/zinc/63/32/72/573633272.db2.gz ZXAQLKSYQOXKSY-MRVPVSSYSA-N 2 0 144.262 1.113 10 0 ADAERP CC(C)[N@@H+]1CCC=C(C[NH2+]C2CC2)C1 258073000 573633281 /nfs/dbraw/zinc/63/32/81/573633281.db2.gz MKFBJRRXWRZIDU-UHFFFAOYSA-N 2 0 194.322 1.779 10 0 ADAERP CC[C@@](C)([NH3+])C[N@H+](C)C(C)C 86808843 573633285 /nfs/dbraw/zinc/63/32/85/573633285.db2.gz UFFQOPJZCAXJNU-SECBINFHSA-N 2 0 158.289 1.454 10 0 ADAERP CC(C)([NH3+])CC[C@@H]([NH3+])c1ccc[nH]1 259534700 573633346 /nfs/dbraw/zinc/63/33/46/573633346.db2.gz WPRGIKBITWFLMF-MRVPVSSYSA-N 2 0 181.283 1.532 10 0 ADAERP CC[C@](C)([NH3+])C[NH+]1CCCCC1 86808880 573633368 /nfs/dbraw/zinc/63/33/68/573633368.db2.gz NADHDHYLRGRHRN-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP Cc1cccc([C@@H]([NH3+])[C@H](C)C[NH3+])c1 259536023 573633389 /nfs/dbraw/zinc/63/33/89/573633389.db2.gz WRLRKPPEETUFRB-KOLCDFICSA-N 2 0 178.279 1.590 10 0 ADAERP CC(C)(C[NH3+])C[C@@H]([NH3+])C(C)(C)C 259536108 573634208 /nfs/dbraw/zinc/63/42/08/573634208.db2.gz WSFSWKAMFSPTJM-MRVPVSSYSA-N 2 0 172.316 1.735 10 0 ADAERP CC[C@@](C)([NH3+])C[NH2+]C(C)(C)C 86809289 573633529 /nfs/dbraw/zinc/63/35/29/573633529.db2.gz RTTPXVFZNHJZBN-SECBINFHSA-N 2 0 158.289 1.502 10 0 ADAERP C[C@H](c1c[nH]c(C[NH3+])c1)[NH+]1CCCC1 257835064 573633554 /nfs/dbraw/zinc/63/35/54/573633554.db2.gz KNTOBNINEZVKGP-SECBINFHSA-N 2 0 193.294 1.630 10 0 ADAERP CC[NH2+]CC([NH3+])(CC)CC 86814461 573633672 /nfs/dbraw/zinc/63/36/72/573633672.db2.gz NSSMVDSZMJMHBB-UHFFFAOYSA-N 2 0 144.262 1.113 10 0 ADAERP CCCC[N@H+](C)C[C@](C)([NH3+])CC 86808806 573633696 /nfs/dbraw/zinc/63/36/96/573633696.db2.gz JEDRKOGNIDEINJ-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H](C)[NH+](C)C 259534485 573633768 /nfs/dbraw/zinc/63/37/68/573633768.db2.gz NMEHJSQSOLDPBF-NXEZZACHSA-N 2 0 172.316 1.428 10 0 ADAERP CCC(CC)[NH2+]C[C@]1(C)CCC[NH2+]1 393544438 573633781 /nfs/dbraw/zinc/63/37/81/573633781.db2.gz BYIVLENCVGJGNF-NSHDSACASA-N 2 0 184.327 1.907 10 0 ADAERP CC[C@](C)([NH3+])C[N@@H+]1CCC[C@@H]1C 86809237 573633859 /nfs/dbraw/zinc/63/38/59/573633859.db2.gz LEOKGZCAADFHFP-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+]Cc1ccc[nH]1 258826189 573634080 /nfs/dbraw/zinc/63/40/80/573634080.db2.gz FQBWCLAIBCNYLC-VIFPVBQESA-N 2 0 181.283 1.089 10 0 ADAERP C[NH2+]CCC[C@@H]([NH2+]C)c1ccc(C)o1 259536254 573634094 /nfs/dbraw/zinc/63/40/94/573634094.db2.gz UWXGGMCUXAWZGW-SNVBAGLBSA-N 2 0 196.294 1.848 10 0 ADAERP C[C@@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1C[C@H]1C[NH3+] 715165422 573634146 /nfs/dbraw/zinc/63/41/46/573634146.db2.gz IVIVQPRVDSBTTG-RHYQMDGZSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@@H]1CCC[C@@H]1[N@H+](C)C[C@H]1C[C@@H]1C[NH3+] 715165420 573634261 /nfs/dbraw/zinc/63/42/61/573634261.db2.gz IVIVQPRVDSBTTG-KKOKHZNYSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@@H](CC(C)(C)[NH3+])[NH+](C)C 259538169 573634265 /nfs/dbraw/zinc/63/42/65/573634265.db2.gz NPEOWQXDLUQCLY-ZETCQYMHSA-N 2 0 144.262 1.064 10 0 ADAERP CCC(CC)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126699415 573634286 /nfs/dbraw/zinc/63/42/86/573634286.db2.gz QQJUMBJVQFCQPH-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP Cc1cccc([C@@H]([NH3+])[C@@H](C)C[NH3+])c1 259536030 573634307 /nfs/dbraw/zinc/63/43/07/573634307.db2.gz WRLRKPPEETUFRB-ONGXEEELSA-N 2 0 178.279 1.590 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)C(C)(C)C[NH3+] 259536210 573634332 /nfs/dbraw/zinc/63/43/32/573634332.db2.gz UWUZAPGRYNDVOJ-JTQLQIEISA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccc[nH]1 258826187 573635319 /nfs/dbraw/zinc/63/53/19/573635319.db2.gz FQBWCLAIBCNYLC-SECBINFHSA-N 2 0 181.283 1.089 10 0 ADAERP CCC(CC)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126699152 573635720 /nfs/dbraw/zinc/63/57/20/573635720.db2.gz QQJUMBJVQFCQPH-UWVGGRQHSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[C@H](C[C@@H]2CCC[NH2+]2)C[NH2+]1 258073750 573635243 /nfs/dbraw/zinc/63/52/43/573635243.db2.gz FNCMJKZIAIXLMO-BBBLOLIVSA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)[C@]1(C2CC[NH2+]CC2)CCC[NH2+]1 258073553 573635269 /nfs/dbraw/zinc/63/52/69/573635269.db2.gz FKNXYIYMWNWZGN-LBPRGKRZSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)OCC[NH2+]CCC(C)(C)[NH3+] 393586265 573635338 /nfs/dbraw/zinc/63/53/38/573635338.db2.gz UCAHYHIMRLABNE-UHFFFAOYSA-N 2 0 188.315 1.128 10 0 ADAERP [NH3+]Cc1cccc([C@H]([NH3+])C2CCC2)c1 259536076 573635380 /nfs/dbraw/zinc/63/53/80/573635380.db2.gz WRTFSVHPEPLOGY-GFCCVEGCSA-N 2 0 190.290 1.945 10 0 ADAERP [NH3+]Cc1cccc([C@@H]([NH3+])C2CCC2)c1 259536080 573635428 /nfs/dbraw/zinc/63/54/28/573635428.db2.gz WRTFSVHPEPLOGY-LBPRGKRZSA-N 2 0 190.290 1.945 10 0 ADAERP [NH3+]CC/C=C\CC1CC[NH2+]CC1 258073565 573635559 /nfs/dbraw/zinc/63/55/59/573635559.db2.gz FLAIONSNKVHWON-UPHRSURJSA-N 2 0 168.284 1.281 10 0 ADAERP CC[C@@H](CC[NH3+])C1CC[NH+](C)CC1 96864713 573635583 /nfs/dbraw/zinc/63/55/83/573635583.db2.gz ACGZKJAGEIBVEA-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP C[N@H+](CCC1CC1)C[C@@H]1C=C[C@H]([NH3+])C1 308650641 573635602 /nfs/dbraw/zinc/63/56/02/573635602.db2.gz KFRNDLSYTJRXEK-NEPJUHHUSA-N 2 0 194.322 1.622 10 0 ADAERP C[C@H](C1C[NH2+]C1)[NH+]1CCCCC1 258519159 573635619 /nfs/dbraw/zinc/63/56/19/573635619.db2.gz MCCPLJOGGLJHJY-SECBINFHSA-N 2 0 168.284 1.080 10 0 ADAERP Cc1cccc([C@H]([NH3+])[C@@H](C)C[NH3+])c1 259536020 573635651 /nfs/dbraw/zinc/63/56/51/573635651.db2.gz WRLRKPPEETUFRB-GXSJLCMTSA-N 2 0 178.279 1.590 10 0 ADAERP [NH3+]C1(C[NH2+]CCc2cccs2)CC1 259148424 573635796 /nfs/dbraw/zinc/63/57/96/573635796.db2.gz SCAUYNVEYAWFHF-UHFFFAOYSA-N 2 0 196.319 1.372 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cc[nH]c1 258826426 573635807 /nfs/dbraw/zinc/63/58/07/573635807.db2.gz DCBBRYRQUJBRFS-MNOVXSKESA-N 2 0 193.294 1.027 10 0 ADAERP CC(C)([NH3+])CC[C@H]([NH3+])c1ccc[nH]1 259534703 573637136 /nfs/dbraw/zinc/63/71/36/573637136.db2.gz WPRGIKBITWFLMF-QMMMGPOBSA-N 2 0 181.283 1.532 10 0 ADAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C)C1(C)C 259536423 573639707 /nfs/dbraw/zinc/63/97/07/573639707.db2.gz WHNMCRNBVUPWQW-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP C1C[NH2+]C(CCC[NH2+]C2CCC2)C1 308410498 573639709 /nfs/dbraw/zinc/63/97/09/573639709.db2.gz OCNCFYDBZYWLTH-UHFFFAOYSA-N 2 0 182.311 1.661 10 0 ADAERP Cc1cc([C@@H]([NH3+])CCC[NH3+])ccc1F 259536123 573636883 /nfs/dbraw/zinc/63/68/83/573636883.db2.gz WSGCTVVTEUHXTE-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 308651426 573637045 /nfs/dbraw/zinc/63/70/45/573637045.db2.gz KLBGWBXQGYUGCT-GRYCIOLGSA-N 2 0 198.354 1.866 10 0 ADAERP C[C@@H](C1C[NH2+]C1)[NH+]1CCCCC1 258519163 573637046 /nfs/dbraw/zinc/63/70/46/573637046.db2.gz MCCPLJOGGLJHJY-VIFPVBQESA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)([NH3+])CC[C@@H]([NH3+])c1cc[nH]c1 259536383 573639957 /nfs/dbraw/zinc/63/99/57/573639957.db2.gz WSYNOQAKKVFREN-SECBINFHSA-N 2 0 181.283 1.532 10 0 ADAERP C[NH2+]CC[C@@H](CC(C)C)[NH2+]C 259145931 573639961 /nfs/dbraw/zinc/63/99/61/573639961.db2.gz BIGBKXWVMGMTES-VIFPVBQESA-N 2 0 158.289 1.230 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]CC1(C2CC2)CCC1 393643939 573639962 /nfs/dbraw/zinc/63/99/62/573639962.db2.gz DLUYMEXVEOTNEK-SNVBAGLBSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@H]1[C@H](C[NH3+])CCCC[N@@H+]1C 238461854 573639407 /nfs/dbraw/zinc/63/94/07/573639407.db2.gz HYZBTNRCKIVEOS-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[N@@H+]1CC[C@H](C2CCCCC2)[C@H]1CN 257845730 573639731 /nfs/dbraw/zinc/63/97/31/573639731.db2.gz NMOOOQPGUKECRZ-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP 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/nfs/dbraw/zinc/64/21/32/573642132.db2.gz ISMUVPBNJBHHNV-UHFFFAOYSA-N 2 0 199.685 1.884 10 0 ADAERP [NH3+][C@@H]1C[C@@H]1Nc1ccncc1Cl 86839684 573642222 /nfs/dbraw/zinc/64/22/22/573642222.db2.gz XHFCHYUTWVMKGM-SVRRBLITSA-N 2 0 183.642 1.247 10 0 ADAERP [NH3+][C@@H]1C[C@H]1Nc1ccncc1Cl 86839682 573642527 /nfs/dbraw/zinc/64/25/27/573642527.db2.gz XHFCHYUTWVMKGM-HTRCEHHLSA-N 2 0 183.642 1.247 10 0 ADAERP C[n+]1ccc(CCC(C)(C)[NH3+])cc1 238463286 573642615 /nfs/dbraw/zinc/64/26/15/573642615.db2.gz HCRZMXUZDMAKRY-UHFFFAOYSA-N 2 0 179.287 1.181 10 0 ADAERP [NH3+]Cc1cnccc1C1CC[NH2+]CC1 259538764 573642650 /nfs/dbraw/zinc/64/26/50/573642650.db2.gz BQXUBWNIKIKDEQ-UHFFFAOYSA-N 2 0 191.278 1.007 10 0 ADAERP C[NH2+][C@@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 259539496 573644449 /nfs/dbraw/zinc/64/44/49/573644449.db2.gz VCWVKCKZWIMCCN-ZJUUUORDSA-N 2 0 184.327 1.763 10 0 ADAERP CC[NH+](CC)[C@H](C)c1c[nH]c(C[NH3+])c1 257839322 573644532 /nfs/dbraw/zinc/64/45/32/573644532.db2.gz LPDCOLUSJJCBPL-SECBINFHSA-N 2 0 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COc1ccc([C@@H]([NH3+])CCC[NH3+])cc1 259152201 573650396 /nfs/dbraw/zinc/65/03/96/573650396.db2.gz DEOBFRGSVWDDDV-NSHDSACASA-N 2 0 194.278 1.434 10 0 ADAERP C[NH+](C)C[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850879 573650399 /nfs/dbraw/zinc/65/03/99/573650399.db2.gz UEGDUTXJXWVTIT-VHSXEESVSA-N 2 0 184.327 1.702 10 0 ADAERP C1C[NH2+]C[C@H]([C@H]2C[C@]23CCC[NH2+]C3)C1 257840736 573650505 /nfs/dbraw/zinc/65/05/05/573650505.db2.gz BQPMJRTURBXQIR-UTUOFQBUSA-N 2 0 194.322 1.376 10 0 ADAERP C[NH2+][C@H]1[C@H](C[NH+](C)C)CCCC1(C)C 86850884 573650510 /nfs/dbraw/zinc/65/05/10/573650510.db2.gz VTPCMOLDZZBYQA-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1C[C@H]1[C@H]([NH3+])Cc1c[nH+]ccc1N 83808356 573650543 /nfs/dbraw/zinc/65/05/43/573650543.db2.gz QLOVERMZWISSIL-BCMRRPTOSA-N 2 0 191.278 1.190 10 0 ADAERP [NH3+]C1(CC[NH+]2CCCC2)CCC1 86853791 573653973 /nfs/dbraw/zinc/65/39/73/573653973.db2.gz JPDIAURLMQWMDM-UHFFFAOYSA-N 2 0 168.284 1.354 10 0 ADAERP CC(C)[N@@H+](C)C[C@H](C)NC(=[NH2+])C1CC1 308658218 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573652573 /nfs/dbraw/zinc/65/25/73/573652573.db2.gz BWXYWKUSDDOONI-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP Cc1cccc([C@H]([NH3+])[C@H](C)CC[NH3+])c1 259543563 573652588 /nfs/dbraw/zinc/65/25/88/573652588.db2.gz XDJAELUYRZXEGT-ZYHUDNBSSA-N 2 0 192.306 1.980 10 0 ADAERP CC(C)CCC[NH2+]C[C@@H](C)CC[NH3+] 258843200 573652635 /nfs/dbraw/zinc/65/26/35/573652635.db2.gz HDPARTVQMQJWRA-NSHDSACASA-N 2 0 186.343 1.997 10 0 ADAERP CCCC[C@@H]1[NH2+]CCCC[C@H]1[NH3+] 224483573 573652664 /nfs/dbraw/zinc/65/26/64/573652664.db2.gz BFEVDHBLJKBCAG-ZJUUUORDSA-N 2 0 170.300 1.646 10 0 ADAERP Cc1cccc([C@@H]([NH3+])[C@@H](C)CC[NH3+])c1 259543559 573652691 /nfs/dbraw/zinc/65/26/91/573652691.db2.gz XDJAELUYRZXEGT-JQWIXIFHSA-N 2 0 192.306 1.980 10 0 ADAERP C[N@@H+]1CC[C@@H]([C@@H](CC[NH3+])C(F)F)C1 259543309 573652754 /nfs/dbraw/zinc/65/27/54/573652754.db2.gz BZLUCDUDHLARNS-HTQZYQBOSA-N 2 0 192.253 1.168 10 0 ADAERP CC[NH+](CC)C[C@H]1C[NH2+]CC[C@@H]1F 257841617 573652767 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257841755 573654352 /nfs/dbraw/zinc/65/43/52/573654352.db2.gz MLLCYNNHOZPGOH-UHFFFAOYSA-N 2 0 188.658 1.453 10 0 ADAERP CC(C)(C)[C@@H](C[NH3+])C[NH2+]C1CCC1 258080753 573654372 /nfs/dbraw/zinc/65/43/72/573654372.db2.gz JEKCKUYQQRDEOI-VIFPVBQESA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[N@H+]1CC=C([C@@H](C)[NH3+])CC1 258082000 573654518 /nfs/dbraw/zinc/65/45/18/573654518.db2.gz MYELOJUUAGBDEW-SECBINFHSA-N 2 0 168.284 1.374 10 0 ADAERP Cc1cc(N)[nH+]cc1[C@H]1CC[C@H]([NH3+])C1 238458386 573654540 /nfs/dbraw/zinc/65/45/40/573654540.db2.gz SADAKBKWJQRLQK-IUCAKERBSA-N 2 0 191.278 1.567 10 0 ADAERP C[C@H]1CC[N@H+](CCC2([NH3+])CCC2)C1 86853918 573654544 /nfs/dbraw/zinc/65/45/44/573654544.db2.gz RIIBTDKIQDEZHZ-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CC1(C)CC[C@@H]([NH+]2CCCC2)[C@H]1[NH3+] 86855867 573654586 /nfs/dbraw/zinc/65/45/86/573654586.db2.gz HSRPLFQVGMQRIT-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP Cc1c[nH+]c2n1C[C@@H]([NH3+])C[C@H]2C 107816131 573654609 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Cc1[nH+]c2n(c1C)[C@@H](C)[C@H]([NH3+])CC2 107824970 573661730 /nfs/dbraw/zinc/66/17/30/573661730.db2.gz UFSQZCIWSMVQKQ-DTWKUNHWSA-N 2 0 179.267 1.334 10 0 ADAERP Cc1ccccc1C(C)(C)CNC[NH3+] 258850102 573661734 /nfs/dbraw/zinc/66/17/34/573661734.db2.gz IWHZRQYBIVEHOO-UHFFFAOYSA-N 2 0 192.306 1.778 10 0 ADAERP C[C@@H](C[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 257842779 573662310 /nfs/dbraw/zinc/66/23/10/573662310.db2.gz MRWDOUDBAWFHNG-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@@H]1[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+]21 238472823 573662417 /nfs/dbraw/zinc/66/24/17/573662417.db2.gz IZJFQWCPGXRFQD-RHYQMDGZSA-N 2 0 194.322 1.611 10 0 ADAERP C[NH2+][C@@H]1[C@@H](C[NH+](C)C)CCC1(C)C 86871169 573665091 /nfs/dbraw/zinc/66/50/91/573665091.db2.gz PSJKNQWMMKASPO-NXEZZACHSA-N 2 0 184.327 1.572 10 0 ADAERP CC1(C)C[N@H+](C/C=C\C[NH3+])CCCO1 308664718 573664380 /nfs/dbraw/zinc/66/43/80/573664380.db2.gz RXCDUPGKPBRQNV-ARJAWSKDSA-N 2 0 198.310 1.002 10 0 ADAERP CC1(C)CC[C@@H](C[NH+]2CCCC2)[C@@H]1[NH3+] 86871014 573664449 /nfs/dbraw/zinc/66/44/49/573664449.db2.gz VBCQLVVHDCCZTH-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP Cc1cc(N)cc([C@H]2CCC[NH2+]C2)[nH+]1 238474898 573664452 /nfs/dbraw/zinc/66/44/52/573664452.db2.gz UCORIGREWBJAHK-VIFPVBQESA-N 2 0 191.278 1.439 10 0 ADAERP C[NH+](C)C[C@@H]1CCC(C)(C)[C@H]1[NH3+] 86871184 573664716 /nfs/dbraw/zinc/66/47/16/573664716.db2.gz MVNCKRQLBXDEQQ-IUCAKERBSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@]1(CCC[NH3+])CCC[NH2+]C1 238474973 573664967 /nfs/dbraw/zinc/66/49/67/573664967.db2.gz FKKLTHXSRGGAOT-VIFPVBQESA-N 2 0 156.273 1.115 10 0 ADAERP CN[C@H](C[NH2+]C)c1ccc(Cl)cc1 259617821 573665905 /nfs/dbraw/zinc/66/59/05/573665905.db2.gz XTLKLEJBMWNKMH-SNVBAGLBSA-N 2 0 198.697 1.820 10 0 ADAERP C(C[NH+]1CCCCC1)=C1CC[NH2+]CC1 257843725 573665832 /nfs/dbraw/zinc/66/58/32/573665832.db2.gz CNWDUBDLPCXDMM-UHFFFAOYSA-N 2 0 194.322 1.782 10 0 ADAERP CCCc1[nH]c2c([nH+]1)CC[C@@H](C[NH3+])C2 257844180 573665963 /nfs/dbraw/zinc/66/59/63/573665963.db2.gz AEFLHYSOBQMZOH-MRVPVSSYSA-N 2 0 193.294 1.426 10 0 ADAERP CC[C@@H](C[NH2+]C)C[NH2+]CC(C)(C)C 258856259 573666043 /nfs/dbraw/zinc/66/60/43/573666043.db2.gz AEPUHHVQRJIGJB-JTQLQIEISA-N 2 0 186.343 1.868 10 0 ADAERP CC[NH2+]Cc1ccc(CN2CCC2)o1 393667956 573666078 /nfs/dbraw/zinc/66/60/78/573666078.db2.gz FPMPZHHEVGXXKH-UHFFFAOYSA-N 2 0 194.278 1.595 10 0 ADAERP C[NH2+]CCCC[NH2+]Cc1ccncc1 258854286 573666084 /nfs/dbraw/zinc/66/60/84/573666084.db2.gz YACXJERYDKOPIB-UHFFFAOYSA-N 2 0 193.294 1.171 10 0 ADAERP C[C@@H](CC(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 686248444 573666086 /nfs/dbraw/zinc/66/60/86/573666086.db2.gz OEIFMORRIMQARC-BQBZGAKWSA-N 2 0 192.253 1.228 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[N@H+](C)CCC1CC1 308410437 573666980 /nfs/dbraw/zinc/66/69/80/573666980.db2.gz OBIWRDJUSSVCKI-ZJUUUORDSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+](C)CCC1CC1 308661754 573666203 /nfs/dbraw/zinc/66/62/03/573666203.db2.gz QGSXRBQNNKIUNC-PWSUYJOCSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+][C@H](C)C[C@@H]1CCCC[NH2+]1 83823573 573666519 /nfs/dbraw/zinc/66/65/19/573666519.db2.gz FTCNBVIZGWKZFF-BDAKNGLRSA-N 2 0 156.273 1.127 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[N@H+](C)CCC1CC1 308410426 573666533 /nfs/dbraw/zinc/66/65/33/573666533.db2.gz OBIWRDJUSSVCKI-UWVGGRQHSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+][C@H]1[C@@H](C[NH+](C)C)CCC1(C)C 86871165 573666565 /nfs/dbraw/zinc/66/65/65/573666565.db2.gz PSJKNQWMMKASPO-ZJUUUORDSA-N 2 0 184.327 1.572 10 0 ADAERP [NH3+]Cc1cccc(C[NH2+]C2CCC2)c1 258861211 573666796 /nfs/dbraw/zinc/66/67/96/573666796.db2.gz ABHLWGQZPSPHCP-UHFFFAOYSA-N 2 0 190.290 1.787 10 0 ADAERP CN[C@@H](C[NH2+]C)c1ccc(Cl)cc1 259617820 573666854 /nfs/dbraw/zinc/66/68/54/573666854.db2.gz XTLKLEJBMWNKMH-JTQLQIEISA-N 2 0 198.697 1.820 10 0 ADAERP CC[C@H](C[NH2+]C)C[NH2+]CC(C)(C)C 258856262 573666857 /nfs/dbraw/zinc/66/68/57/573666857.db2.gz AEPUHHVQRJIGJB-SNVBAGLBSA-N 2 0 186.343 1.868 10 0 ADAERP C[N@@H+]1CC[C@H](CC2(C[NH3+])CCC2)C1 259153237 573666873 /nfs/dbraw/zinc/66/68/73/573666873.db2.gz OBAVNWBDGLOOGD-SNVBAGLBSA-N 2 0 182.311 1.457 10 0 ADAERP C[C@H]([NH3+])CC[C@@H]1CC[N@H+](C)C1 107932409 573670990 /nfs/dbraw/zinc/67/09/90/573670990.db2.gz BAEJAWCHTPFGPX-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@H]([NH3+])C[C@H]1CCCC[N@@H+]1C 107948063 573672405 /nfs/dbraw/zinc/67/24/05/573672405.db2.gz WZXGBRSHHPOVFZ-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP CC(=[NH2+])NC[C@@H](C(C)C)[NH+](C)C 393546511 573672423 /nfs/dbraw/zinc/67/24/23/573672423.db2.gz KZMLNCRTUXIIER-VIFPVBQESA-N 2 0 171.288 1.159 10 0 ADAERP C[C@@H](CC(F)F)[NH2+][C@H](C)C1C[NH2+]C1 686248445 573669326 /nfs/dbraw/zinc/66/93/26/573669326.db2.gz OEIFMORRIMQARC-NKWVEPMBSA-N 2 0 192.253 1.228 10 0 ADAERP [NH3+]C1CC(C[NH2+]CCC2CCCC2)C1 258864526 573669900 /nfs/dbraw/zinc/66/99/00/573669900.db2.gz AIECWNUAJKLATP-UHFFFAOYSA-N 2 0 196.338 1.894 10 0 ADAERP CCCc1[nH+]cc2cccc(C[NH3+])n12 258076895 573673654 /nfs/dbraw/zinc/67/36/54/573673654.db2.gz VQXXPAOSQBCVMB-UHFFFAOYSA-N 2 0 189.262 1.746 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)CCC1CC1 308411793 573670048 /nfs/dbraw/zinc/67/00/48/573670048.db2.gz OPGKNTGIJVPABH-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CCC[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126761524 573670242 /nfs/dbraw/zinc/67/02/42/573670242.db2.gz HBQASOUNNJJUIX-DCAQKATOSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)[C@H](C[NH3+])[C@@H]([NH3+])c1cccs1 259550469 573673665 /nfs/dbraw/zinc/67/36/65/573673665.db2.gz UOBOIVALAUTJNV-WCBMZHEXSA-N 2 0 198.335 1.979 10 0 ADAERP CC(C)[C@H](C[NH3+])[C@H]([NH3+])c1cccs1 259550471 573670382 /nfs/dbraw/zinc/67/03/82/573670382.db2.gz UOBOIVALAUTJNV-WPRPVWTQSA-N 2 0 198.335 1.979 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[N@H+](C)CCC1CC1 308661755 573670450 /nfs/dbraw/zinc/67/04/50/573670450.db2.gz QGSXRBQNNKIUNC-ZYHUDNBSSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H](CC1CC[NH2+]CC1)[NH+]1CCCC1 257846640 573670484 /nfs/dbraw/zinc/67/04/84/573670484.db2.gz NUVCEAFEWCLQEH-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP 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573671062 /nfs/dbraw/zinc/67/10/62/573671062.db2.gz JTVIEMFHTYTLCT-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)(C[NH3+])CC[NH2+]Cc1ccc[nH]1 258866181 573671096 /nfs/dbraw/zinc/67/10/96/573671096.db2.gz JEXSOZADIOPBKT-UHFFFAOYSA-N 2 0 195.310 1.479 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H]2C3CC[NH+](CC3)[C@H]12 107959241 573671116 /nfs/dbraw/zinc/67/11/16/573671116.db2.gz RUXDLVAGOMJWKV-HBNTYKKESA-N 2 0 180.295 1.066 10 0 ADAERP CC(C)[C@@H](C[NH3+])[C@@H]([NH3+])c1cccs1 259550465 573671126 /nfs/dbraw/zinc/67/11/26/573671126.db2.gz UOBOIVALAUTJNV-PSASIEDQSA-N 2 0 198.335 1.979 10 0 ADAERP [NH3+]C[C@@H]1C[C@H]2C3CC[NH+](CC3)[C@@H]2C1 107958579 573671195 /nfs/dbraw/zinc/67/11/95/573671195.db2.gz NGAOPONOIJXVJD-DVVUODLYSA-N 2 0 180.295 1.066 10 0 ADAERP CC[C@@H]([NH3+])C[C@@H]1CC[N@H+](C)C1 107932388 573671318 /nfs/dbraw/zinc/67/13/18/573671318.db2.gz IBXCQCWOZXRKJZ-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[C@@H]([NH3+])C[C@@H]1CCCC[N@@H+]1C 107948137 573671332 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SEYCKLCWDMYHJD-ZJUUUORDSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H](CC1CC[NH2+]CC1)[NH+]1CCCC1 257846639 573671849 /nfs/dbraw/zinc/67/18/49/573671849.db2.gz NUVCEAFEWCLQEH-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP C1CCC(C[NH2+]C[C@@H]2CC[NH2+]C2)C1 258870401 573671897 /nfs/dbraw/zinc/67/18/97/573671897.db2.gz JNBSRLWAEZRMOF-LLVKDONJSA-N 2 0 182.311 1.376 10 0 ADAERP CC[N@@H+]1CCCC[C@H]1C[C@@H](C)[NH3+] 107947737 573671914 /nfs/dbraw/zinc/67/19/14/573671914.db2.gz KQXSARUBYWMAPH-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H]([NH3+])C[C@H]1CCC[N@H+](C)C1 107955528 573672063 /nfs/dbraw/zinc/67/20/63/573672063.db2.gz GBZMKMLKUBLFIL-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H]([NH3+])CC[C@@H]1CC[N@H+](C)C1 107932412 573672192 /nfs/dbraw/zinc/67/21/92/573672192.db2.gz BAEJAWCHTPFGPX-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH+]1CCC(C[C@](C)(F)C[NH3+])CC1 257845920 573675360 /nfs/dbraw/zinc/67/53/60/573675360.db2.gz NRLKZIPURNWLEE-JTQLQIEISA-N 2 0 188.290 1.405 10 0 ADAERP 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CLNSPLSYRYWWMI-HWOCKDDLSA-N 2 0 168.284 1.113 10 0 ADAERP C[NH2+]CC(C)(C)Nc1cc[nH+]cc1 258867909 573676650 /nfs/dbraw/zinc/67/66/50/573676650.db2.gz OXVCWEPQKAVIOQ-UHFFFAOYSA-N 2 0 179.267 1.492 10 0 ADAERP C[C@@H]([NH2+][C@H](C)C1(C)CC1)C1C[NH2+]C1 686248895 573676706 /nfs/dbraw/zinc/67/67/06/573676706.db2.gz SLOPAZHISAFZAX-RKDXNWHRSA-N 2 0 182.311 1.373 10 0 ADAERP C[NH2+][C@H](C)C[C@@H]1C[NH+]2CCC1CC2 107978114 573676976 /nfs/dbraw/zinc/67/69/76/573676976.db2.gz SJQDARLBFDRXCA-MWLCHTKSSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]([NH2+]C[C@]1(C)CC1(C)C)C1C[NH2+]C1 686248821 573676993 /nfs/dbraw/zinc/67/69/93/573676993.db2.gz RUAUFTPSQDZWBN-CABZTGNLSA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@@H]1C[C@H]([NH3+])C[N@H+](CC)C1 108001023 573677011 /nfs/dbraw/zinc/67/70/11/573677011.db2.gz QZMCUHMKQRFOHR-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+][C@@H](C(C)C)C1CCC([NH3+])CC1 259549417 573677031 /nfs/dbraw/zinc/67/70/31/573677031.db2.gz VSAJFQFBCVBBLN-ILDUYXDCSA-N 2 0 184.327 1.748 10 0 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573677201 /nfs/dbraw/zinc/67/72/01/573677201.db2.gz GTYSLJJUXXJZLJ-KYHHOPLUSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H](CCC[NH3+])C[NH2+]Cc1ccoc1 130809677 573677250 /nfs/dbraw/zinc/67/72/50/573677250.db2.gz SCDVVFRWNQZYOM-SNVBAGLBSA-N 2 0 196.294 1.744 10 0 ADAERP C[NH2+][C@@H](C1CCC1)C(C)(C)C[NH3+] 259549070 573677335 /nfs/dbraw/zinc/67/73/35/573677335.db2.gz VQKVCUUDXXZMOA-VIFPVBQESA-N 2 0 170.300 1.359 10 0 ADAERP C[C@@H]([NH3+])CC[C@@H]1C[NH+]2CCC1CC2 107977967 573677344 /nfs/dbraw/zinc/67/73/44/573677344.db2.gz PNEWLERMRLSQAC-MWLCHTKSSA-N 2 0 182.311 1.456 10 0 ADAERP CC[N@@H+](CC1CCC1)C[C@@H](C)C[NH3+] 83838123 573678493 /nfs/dbraw/zinc/67/84/93/573678493.db2.gz FDVODVORPLXAJN-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H]1C[NH+]2CCC1CC2 107977825 573677354 /nfs/dbraw/zinc/67/73/54/573677354.db2.gz VJPXXGGYDDODHE-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H](Cc1ccccc1C[NH3+])[NH+](C)C 259548114 573677357 /nfs/dbraw/zinc/67/73/57/573677357.db2.gz CFOXZTZWMLLVIX-JTQLQIEISA-N 2 0 192.306 1.638 10 0 ADAERP C[C@H]([NH3+])CCCC[NH2+]Cc1ccoc1 130808986 573677368 /nfs/dbraw/zinc/67/73/68/573677368.db2.gz CKMMXGFXTYRIHW-JTQLQIEISA-N 2 0 196.294 1.887 10 0 ADAERP CC[C@@H]([NH3+])[C@H]1C[NH+]2CCC1CC2 107977817 573677417 /nfs/dbraw/zinc/67/74/17/573677417.db2.gz OLAMKAPBHFDOLN-VHSXEESVSA-N 2 0 168.284 1.066 10 0 ADAERP CC1(C)C[C@@H]2C[NH2+]C[C@H](C1)C2CC[NH3+] 258091456 573677421 /nfs/dbraw/zinc/67/74/21/573677421.db2.gz NEGWVNZSTFYXTF-ZACCUICWSA-N 2 0 196.338 1.607 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1C[NH2+]CC(F)F 147803459 573677454 /nfs/dbraw/zinc/67/74/54/573677454.db2.gz ZRFCOQRORKVYFR-SFYZADRCSA-N 2 0 192.253 1.216 10 0 ADAERP CC[N@@H+]1CCCC[C@H](C[NH3+])C1 107981746 573677560 /nfs/dbraw/zinc/67/75/60/573677560.db2.gz RLRULQGBINOQNX-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP [NH3+]C1(CNCc2ccoc2)CCC1 130806191 573677645 /nfs/dbraw/zinc/67/76/45/573677645.db2.gz GKIQMVDKZSRLEA-UHFFFAOYSA-N 2 0 180.251 1.251 10 0 ADAERP COCCCC[C@H]([NH3+])CC[NH+](C)C 393548013 573677716 /nfs/dbraw/zinc/67/77/16/573677716.db2.gz PTUXXBBOJPPQPW-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP C[NH2+][C@H](C)C[C@H]1C[NH+]2CCC1CC2 107978120 573677737 /nfs/dbraw/zinc/67/77/37/573677737.db2.gz SJQDARLBFDRXCA-KOLCDFICSA-N 2 0 182.311 1.326 10 0 ADAERP Cc1oc(CN)nc1[C@H]1CCCN1C 257846051 573677801 /nfs/dbraw/zinc/67/78/01/573677801.db2.gz CYIJWQVUXCXYCA-MRVPVSSYSA-N 2 0 195.266 1.208 10 0 ADAERP CC(C)[C@H]([NH3+])C[C@@H]1C[NH+]2CCC1CC2 107978021 573677802 /nfs/dbraw/zinc/67/78/02/573677802.db2.gz OIRCCBUXAQHFRN-VXGBXAGGSA-N 2 0 196.338 1.702 10 0 ADAERP CC(C)[C@H]([NH3+])C[C@H]1C[NH+]2CCC1CC2 107978028 573677814 /nfs/dbraw/zinc/67/78/14/573677814.db2.gz OIRCCBUXAQHFRN-NWDGAFQWSA-N 2 0 196.338 1.702 10 0 ADAERP C1CC[C@@H]([C@@H]2C[NH+]3CCC2CC3)[NH2+]C1 107981429 573677836 /nfs/dbraw/zinc/67/78/36/573677836.db2.gz NJVCPTJUEWXISA-NEPJUHHUSA-N 2 0 194.322 1.470 10 0 ADAERP C1CC(C[NH2+][C@@H]2CCN3CCC[C@H]23)C1 83838545 573677858 /nfs/dbraw/zinc/67/78/58/573677858.db2.gz VNCZKISZCFBZAL-VXGBXAGGSA-N 2 0 194.322 1.613 10 0 ADAERP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 86884224 573677926 /nfs/dbraw/zinc/67/79/26/573677926.db2.gz DGNMTSGQSKPWTI-WYUUTHIRSA-N 2 0 196.338 1.844 10 0 ADAERP CCC[C@H]([NH3+])[C@@H]1C[NH+]2CCC1CC2 107977822 573677935 /nfs/dbraw/zinc/67/79/35/573677935.db2.gz VJPXXGGYDDODHE-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]([NH3+])CC[C@H]1C[NH+]2CCC1CC2 107977969 573677989 /nfs/dbraw/zinc/67/79/89/573677989.db2.gz PNEWLERMRLSQAC-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP C[NH2+]CCC[C@@H]([NH3+])c1cccs1 259549845 573678030 /nfs/dbraw/zinc/67/80/30/573678030.db2.gz XJUBKRBRDUMJEH-MRVPVSSYSA-N 2 0 184.308 1.748 10 0 ADAERP CC(C)([NH3+])CCC[NH2+]Cc1ccoc1 130811842 573678138 /nfs/dbraw/zinc/67/81/38/573678138.db2.gz GUPJILLGDWXKNB-UHFFFAOYSA-N 2 0 196.294 1.887 10 0 ADAERP [NH3+]CCC[C@@H]1C[NH+]2CCC1CC2 107977977 573678142 /nfs/dbraw/zinc/67/81/42/573678142.db2.gz DWFMYPQMFLGFKI-SNVBAGLBSA-N 2 0 168.284 1.067 10 0 ADAERP CC1C[C@@H]2C[N@@H+](C)C[C@H](C1)C2C[NH3+] 259548857 573678143 /nfs/dbraw/zinc/67/81/43/573678143.db2.gz CKTMXPQKWKSJEB-GGWWSXTCSA-N 2 0 182.311 1.169 10 0 ADAERP C[C@@H](C[NH3+])CC[N@H+](C)C(C)(C)C 258875035 573678173 /nfs/dbraw/zinc/67/81/73/573678173.db2.gz JVMIMZWZOBPBJZ-SECBINFHSA-N 2 0 172.316 1.702 10 0 ADAERP C[N@@H+]1CCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258090550 573678194 /nfs/dbraw/zinc/67/81/94/573678194.db2.gz GMCKKTKNVOABSS-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C1(C)CC1 686248890 573678471 /nfs/dbraw/zinc/67/84/71/573678471.db2.gz SLOPAZHISAFZAX-BDAKNGLRSA-N 2 0 182.311 1.373 10 0 ADAERP C[NH2+][C@@H](C)C[C@@H]1C[NH+]2CCC1CC2 107978112 573678275 /nfs/dbraw/zinc/67/82/75/573678275.db2.gz SJQDARLBFDRXCA-GXSJLCMTSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+][C@@H](CC[NH3+])c1cccs1 259548452 573678321 /nfs/dbraw/zinc/67/83/21/573678321.db2.gz UMEKXBLOSKSSFQ-ZETCQYMHSA-N 2 0 170.281 1.357 10 0 ADAERP CC1CC([N@@H+]2CCC[C@@H]([NH3+])C2)C1 108004381 573678337 /nfs/dbraw/zinc/67/83/37/573678337.db2.gz GTYSLJJUXXJZLJ-HWOCKDDLSA-N 2 0 168.284 1.208 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C[C@H]2[NH2+]CCO2)C1 258089922 573678353 /nfs/dbraw/zinc/67/83/53/573678353.db2.gz JNTXYYRADKNEOE-MNOVXSKESA-N 2 0 198.310 1.053 10 0 ADAERP C[NH+]1CCC(C[C@@](C)(F)C[NH3+])CC1 257845922 573678367 /nfs/dbraw/zinc/67/83/67/573678367.db2.gz NRLKZIPURNWLEE-SNVBAGLBSA-N 2 0 188.290 1.405 10 0 ADAERP CC[C@@H]([NH3+])C[C@@H]1C[NH+]2CCC1CC2 107977939 573678432 /nfs/dbraw/zinc/67/84/32/573678432.db2.gz YNAIGCRXXGKIQW-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CC2)C1 259617433 573680108 /nfs/dbraw/zinc/68/01/08/573680108.db2.gz DZXCEMGGKHMOBT-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H](C[NH3+])C[C@@H]1C[NH+]2CCC1CC2 107977909 573680162 /nfs/dbraw/zinc/68/01/62/573680162.db2.gz UXTAWNSLTLZKGN-MWLCHTKSSA-N 2 0 182.311 1.313 10 0 ADAERP CCC[C@@H]([NH3+])[C@H]1C[NH+]2CCC1CC2 107977831 573680218 /nfs/dbraw/zinc/68/02/18/573680218.db2.gz VJPXXGGYDDODHE-WDEREUQCSA-N 2 0 182.311 1.456 10 0 ADAERP C[N@@H+]1CCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258090547 573680220 /nfs/dbraw/zinc/68/02/20/573680220.db2.gz GMCKKTKNVOABSS-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H](C)N1CCc2c[nH+]ccc21 258089662 573680247 /nfs/dbraw/zinc/68/02/47/573680247.db2.gz JKBSOAUMVFENTL-MRVPVSSYSA-N 2 0 177.251 1.010 10 0 ADAERP C[NH2+][C@H]1CCCN(C2CC(C)C2)C1 108010845 573680339 /nfs/dbraw/zinc/68/03/39/573680339.db2.gz KQCAVBABMUHJSZ-YVNMAJEFSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H](C[C@H]2[NH2+]CCO2)C1 258089925 573680399 /nfs/dbraw/zinc/68/03/99/573680399.db2.gz JNTXYYRADKNEOE-QWRGUYRKSA-N 2 0 198.310 1.053 10 0 ADAERP C[C@H]([NH2+][C@H](C)C1(C)CC1)C1C[NH2+]C1 686248893 573680424 /nfs/dbraw/zinc/68/04/24/573680424.db2.gz SLOPAZHISAFZAX-DTWKUNHWSA-N 2 0 182.311 1.373 10 0 ADAERP NC(=[NH2+])[C@H]1CCC[N@H+](CC2CCC2)C1 83839251 573680438 /nfs/dbraw/zinc/68/04/38/573680438.db2.gz ODPICVCLKRWWDZ-JTQLQIEISA-N 2 0 195.310 1.434 10 0 ADAERP CC(C)[C@@H]([NH3+])C[C@@H]1C[NH+]2CCC1CC2 107978023 573680449 /nfs/dbraw/zinc/68/04/49/573680449.db2.gz OIRCCBUXAQHFRN-NEPJUHHUSA-N 2 0 196.338 1.702 10 0 ADAERP C[NH2+][C@H](CC[NH3+])c1cccs1 259548450 573680539 /nfs/dbraw/zinc/68/05/39/573680539.db2.gz UMEKXBLOSKSSFQ-SSDOTTSWSA-N 2 0 170.281 1.357 10 0 ADAERP CCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 107981754 573680555 /nfs/dbraw/zinc/68/05/55/573680555.db2.gz WOHOVSVBKDQUSA-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP C[N@@H+]1CCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258090552 573680574 /nfs/dbraw/zinc/68/05/74/573680574.db2.gz GMCKKTKNVOABSS-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1C[NH+]2CCC1CC2 107977928 573680627 /nfs/dbraw/zinc/68/06/27/573680627.db2.gz ANDKFJKOZBENMV-WCBMZHEXSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]([NH3+])CC[C@H]1C[NH+]2CCC1CC2 107977972 573680794 /nfs/dbraw/zinc/68/07/94/573680794.db2.gz PNEWLERMRLSQAC-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP CC[N@@H+]1CCC[C@H](CC[NH3+])C1(C)C 259548190 573680848 /nfs/dbraw/zinc/68/08/48/573680848.db2.gz XDGPGIPMULANHA-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+][C@@H](C)C[C@H]1C[NH+]2CCC1CC2 107978116 573680955 /nfs/dbraw/zinc/68/09/55/573680955.db2.gz SJQDARLBFDRXCA-ONGXEEELSA-N 2 0 182.311 1.326 10 0 ADAERP [NH3+]C[C@H](C[NH+]1CCCC1)C1CCC1 258089984 573680990 /nfs/dbraw/zinc/68/09/90/573680990.db2.gz DKQBXWWHPWKYJQ-LLVKDONJSA-N 2 0 182.311 1.457 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH2+]CC(F)F 147803649 573681189 /nfs/dbraw/zinc/68/11/89/573681189.db2.gz ZRFCOQRORKVYFR-YUMQZZPRSA-N 2 0 192.253 1.216 10 0 ADAERP CC[C@H]([NH3+])C[C@@H]1C[NH+]2CCC1CC2 107977937 573681038 /nfs/dbraw/zinc/68/10/38/573681038.db2.gz YNAIGCRXXGKIQW-MNOVXSKESA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C[C@@H]2[NH2+]CCO2)C1 258089918 573681085 /nfs/dbraw/zinc/68/10/85/573681085.db2.gz JNTXYYRADKNEOE-GHMZBOCLSA-N 2 0 198.310 1.053 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]1C[NH+]2CCC1CC2 107977931 573681106 /nfs/dbraw/zinc/68/11/06/573681106.db2.gz ANDKFJKOZBENMV-PSASIEDQSA-N 2 0 168.284 1.066 10 0 ADAERP CC[C@H]([NH3+])[C@H]1C[NH+]2CCC1CC2 107977814 573681135 /nfs/dbraw/zinc/68/11/35/573681135.db2.gz OLAMKAPBHFDOLN-UWVGGRQHSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H](C[NH3+])C[C@H]1C[NH+]2CCC1CC2 107977913 573681191 /nfs/dbraw/zinc/68/11/91/573681191.db2.gz UXTAWNSLTLZKGN-KOLCDFICSA-N 2 0 182.311 1.313 10 0 ADAERP CC[NH+](CC)[C@H](C)c1ccc(C[NH3+])[nH]1 257847263 573683924 /nfs/dbraw/zinc/68/39/24/573683924.db2.gz NYUFCIPCUNLPKC-SECBINFHSA-N 2 0 195.310 1.876 10 0 ADAERP CC[C@H]([NH3+])[C@@H]1C[NH+]2CCC1CC2 107977807 573683942 /nfs/dbraw/zinc/68/39/42/573683942.db2.gz OLAMKAPBHFDOLN-ZJUUUORDSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@H](C[NH3+])C[C@@H]1C[NH+]2CCC1CC2 107977907 573683963 /nfs/dbraw/zinc/68/39/63/573683963.db2.gz UXTAWNSLTLZKGN-GXSJLCMTSA-N 2 0 182.311 1.313 10 0 ADAERP C[C@@H]1CCC[N@H+](CC2(CC[NH3+])CC2)C1 83853256 573685323 /nfs/dbraw/zinc/68/53/23/573685323.db2.gz MOZNCIMGXONEOG-LLVKDONJSA-N 2 0 196.338 1.847 10 0 ADAERP C[C@H]([NH3+])C[C@H]1C[NH+]2CCC1CC2 107977934 573682957 /nfs/dbraw/zinc/68/29/57/573682957.db2.gz ANDKFJKOZBENMV-WPRPVWTQSA-N 2 0 168.284 1.066 10 0 ADAERP [NH3+][C@H]1C=C[C@H](C[NH2+]Cc2ccoc2)C1 130815729 573682985 /nfs/dbraw/zinc/68/29/85/573682985.db2.gz QBZVCBKTADMZNM-ONGXEEELSA-N 2 0 192.262 1.273 10 0 ADAERP CC(C)[C@@H]([NH3+])C[C@H]1C[NH+]2CCC1CC2 107978032 573683005 /nfs/dbraw/zinc/68/30/05/573683005.db2.gz OIRCCBUXAQHFRN-RYUDHWBXSA-N 2 0 196.338 1.702 10 0 ADAERP CCC[N@@H+]1CCCC[C@H](C[NH3+])C1 107981752 573683112 /nfs/dbraw/zinc/68/31/12/573683112.db2.gz WOHOVSVBKDQUSA-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH2+]CC(F)F 147803835 573683132 /nfs/dbraw/zinc/68/31/32/573683132.db2.gz ZRFCOQRORKVYFR-HTQZYQBOSA-N 2 0 192.253 1.216 10 0 ADAERP C[C@H]([NH3+])CC[C@@H]1C[NH+]2CCC1CC2 107977965 573683175 /nfs/dbraw/zinc/68/31/75/573683175.db2.gz PNEWLERMRLSQAC-GXSJLCMTSA-N 2 0 182.311 1.456 10 0 ADAERP CC[C@@H]1CC[N@@H+]1CCCC[NH+](C)C 308422347 573683499 /nfs/dbraw/zinc/68/34/99/573683499.db2.gz UINYSCYQRZFGEH-LLVKDONJSA-N 2 0 184.327 1.813 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+]Cc1ccoc1 130816954 573683523 /nfs/dbraw/zinc/68/35/23/573683523.db2.gz RRHGWZPJCKMVLE-SECBINFHSA-N 2 0 182.267 1.354 10 0 ADAERP CC[N@@H+]1CCCC[C@@H](CC[NH3+])C1 107982042 573683979 /nfs/dbraw/zinc/68/39/79/573683979.db2.gz KFZHITOXASJPDJ-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP C[C@H](CN(C)C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C 393547982 573684269 /nfs/dbraw/zinc/68/42/69/573684269.db2.gz PFDDUQWMGIGNLT-GWOFURMSSA-N 2 0 184.327 1.571 10 0 ADAERP C[C@H](C[NH3+])CC[NH2+]Cc1ccoc1 130816767 573684400 /nfs/dbraw/zinc/68/44/00/573684400.db2.gz RRHGWZPJCKMVLE-VIFPVBQESA-N 2 0 182.267 1.354 10 0 ADAERP COCCCC[N@H+](C)[C@@H](C)CC[NH3+] 130816825 573684613 /nfs/dbraw/zinc/68/46/13/573684613.db2.gz IECRZLNFAXPGMN-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP COCCCC[N@H+](C)[C@H](C)CC[NH3+] 130817018 573684687 /nfs/dbraw/zinc/68/46/87/573684687.db2.gz IECRZLNFAXPGMN-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP CO[C@H](C)C[N@H+](C)CCC[C@@H](C)[NH3+] 393548503 573684844 /nfs/dbraw/zinc/68/48/44/573684844.db2.gz RJTIZNHVUOZMBP-NXEZZACHSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCC1 393549714 573684958 /nfs/dbraw/zinc/68/49/58/573684958.db2.gz ODNKWRKSVHZDHL-JTQLQIEISA-N 2 0 182.311 1.613 10 0 ADAERP C[N@H+](CCC1CC1)[C@@H]1CCC[C@H]([NH3+])C1 308669767 573685022 /nfs/dbraw/zinc/68/50/22/573685022.db2.gz UUDYOANHLHNSSA-NWDGAFQWSA-N 2 0 196.338 1.988 10 0 ADAERP CSC[C@@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259170327 573685129 /nfs/dbraw/zinc/68/51/29/573685129.db2.gz OGQPUMNGXTXIKS-RKDXNWHRSA-N 2 0 188.340 1.019 10 0 ADAERP [NH3+]CC1(C[NH2+]Cc2ccoc2)CCC1 130817171 573685160 /nfs/dbraw/zinc/68/51/60/573685160.db2.gz YIBBXNUYTKVCRT-UHFFFAOYSA-N 2 0 194.278 1.498 10 0 ADAERP CC(C)C[N@@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259157406 573685292 /nfs/dbraw/zinc/68/52/92/573685292.db2.gz FVQOJPHXOGQISA-LLVKDONJSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)(C[NH3+])CC[NH2+]Cc1cc[nH]c1 258879474 573687251 /nfs/dbraw/zinc/68/72/51/573687251.db2.gz KHOURXOENSVGET-UHFFFAOYSA-N 2 0 195.310 1.479 10 0 ADAERP Cc1nc2cc(C=CC[NH3+])ccc2[nH]1 308417349 573686858 /nfs/dbraw/zinc/68/68/58/573686858.db2.gz QCRRVKZPJNCYTF-IHWYPQMZSA-N 2 0 187.246 1.843 10 0 ADAERP Cc1ccc([C@@H](N)C[NH3+])c2c1CCC2 238478947 573687270 /nfs/dbraw/zinc/68/72/70/573687270.db2.gz DXYROKDIGSVMGF-LBPRGKRZSA-N 2 0 190.290 1.442 10 0 ADAERP C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H](C)CN(C)C 393547981 573687135 /nfs/dbraw/zinc/68/71/35/573687135.db2.gz PFDDUQWMGIGNLT-CHWFTXMASA-N 2 0 184.327 1.571 10 0 ADAERP C[C@H]1C[C@@H]([NH2+][C@H](C)CN(C)C)[C@@H]1C 393547983 573688419 /nfs/dbraw/zinc/68/84/19/573688419.db2.gz PFDDUQWMGIGNLT-LNFKQOIKSA-N 2 0 184.327 1.571 10 0 ADAERP C[NH+](C)CCCC1([NH3+])CCC1 258093589 573688364 /nfs/dbraw/zinc/68/83/64/573688364.db2.gz RQZZDRDWXCDWTH-UHFFFAOYSA-N 2 0 156.273 1.210 10 0 ADAERP CO[C@@H](C)C[N@H+](C)CCC[C@@H](C)[NH3+] 393548506 573688012 /nfs/dbraw/zinc/68/80/12/573688012.db2.gz RJTIZNHVUOZMBP-ZJUUUORDSA-N 2 0 188.315 1.081 10 0 ADAERP CSC[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259170324 573688194 /nfs/dbraw/zinc/68/81/94/573688194.db2.gz OGQPUMNGXTXIKS-IUCAKERBSA-N 2 0 188.340 1.019 10 0 ADAERP [NH3+][C@H](C[C@H]1CC[NH2+]C1)c1ccc[nH]1 259157359 573688292 /nfs/dbraw/zinc/68/82/92/573688292.db2.gz DKCOVQUFKBWGGG-RKDXNWHRSA-N 2 0 179.267 1.014 10 0 ADAERP C[C@@H]([NH3+])c1coc(C2CC[NH2+]CC2)n1 258085284 573688321 /nfs/dbraw/zinc/68/83/21/573688321.db2.gz MRTWFSAVWGTLEQ-SSDOTTSWSA-N 2 0 195.266 1.161 10 0 ADAERP [NH3+]C/C=C/C[NH2+][C@H]1CCC(F)(F)C1 308421329 573688383 /nfs/dbraw/zinc/68/83/83/573688383.db2.gz SXBJTPOZVXEVOZ-CMLYIYFCSA-N 2 0 190.237 1.279 10 0 ADAERP CC[C@H](CC(C)(C)[NH3+])[NH2+]C 259159255 573688475 /nfs/dbraw/zinc/68/84/75/573688475.db2.gz CVEZLUYRYBKTKP-SSDOTTSWSA-N 2 0 144.262 1.112 10 0 ADAERP C[C@@H]1C[Si]2(C[C@@H]1[NH3+])C[C@H](C)[C@@H]([NH3+])C2 238479266 573688634 /nfs/dbraw/zinc/68/86/34/573688634.db2.gz CMCAALAABDGSQN-FQXQWUDGSA-N 2 0 198.386 1.389 10 0 ADAERP CSC[C@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259170319 573688667 /nfs/dbraw/zinc/68/86/67/573688667.db2.gz OGQPUMNGXTXIKS-BDAKNGLRSA-N 2 0 188.340 1.019 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CC[NH2+]C1)c1ccccn1 259157370 573688862 /nfs/dbraw/zinc/68/88/62/573688862.db2.gz DKDMUYPOVHUADF-UWVGGRQHSA-N 2 0 191.278 1.081 10 0 ADAERP C[N@H+](CCC1CC1)CC1(CC[NH3+])CC1 308678225 573688865 /nfs/dbraw/zinc/68/88/65/573688865.db2.gz WTXIIMMGUFQUSB-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP C/C=C\CN1CCC[C@H]1C[NH2+]C1CC1 308417542 573688893 /nfs/dbraw/zinc/68/88/93/573688893.db2.gz TXJVIIHPNCBXLU-DLGQBQFBSA-N 2 0 194.322 1.779 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CC[NH2+]C1)c1ccc[nH]1 259157357 573688923 /nfs/dbraw/zinc/68/89/23/573688923.db2.gz DKCOVQUFKBWGGG-IUCAKERBSA-N 2 0 179.267 1.014 10 0 ADAERP C[NH+](C)CC[C@H]([NH3+])Cc1ccccc1 126803814 573689077 /nfs/dbraw/zinc/68/90/77/573689077.db2.gz SGALSWOIOCLUFW-LBPRGKRZSA-N 2 0 192.306 1.508 10 0 ADAERP [NH3+][C@@H](C[C@H]1CC[NH2+]C1)c1ccc[nH]1 259157354 573689111 /nfs/dbraw/zinc/68/91/11/573689111.db2.gz DKCOVQUFKBWGGG-BDAKNGLRSA-N 2 0 179.267 1.014 10 0 ADAERP [NH3+][C@H](C[C@@H]1CC[NH2+]C1)c1ccc[nH]1 259157355 573689583 /nfs/dbraw/zinc/68/95/83/573689583.db2.gz DKCOVQUFKBWGGG-DTWKUNHWSA-N 2 0 179.267 1.014 10 0 ADAERP C[NH2+]CC1([C@H]([NH3+])C2CCCCC2)CC1 259159845 573689286 /nfs/dbraw/zinc/68/92/86/573689286.db2.gz BWXVTJAXOSHTRM-LLVKDONJSA-N 2 0 196.338 1.894 10 0 ADAERP C[NH2+][C@@H](CC(C)C)C[C@@H]1CCC[NH2+]1 259159229 573689359 /nfs/dbraw/zinc/68/93/59/573689359.db2.gz CUSQMHDCVNDCKL-QWRGUYRKSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@H]1C[NH2+][C@H](C)CC(C)(C)[NH2+]1 238479235 573689410 /nfs/dbraw/zinc/68/94/10/573689410.db2.gz ZEPZVKXVHQECDM-SFYZADRCSA-N 2 0 156.273 1.125 10 0 ADAERP Cc1cc(C)cc(CNCC[NH3+])c1 43393577 573689425 /nfs/dbraw/zinc/68/94/25/573689425.db2.gz CFTXDJBNTCTZPF-UHFFFAOYSA-N 2 0 178.279 1.352 10 0 ADAERP CCC[NH2+][C@H](CC)CC[NH+](C)C 126805720 573689522 /nfs/dbraw/zinc/68/95/22/573689522.db2.gz ARFFADWNLCTUON-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP Cc1ccccc1[C@@]1(CC[NH3+])CC[NH2+]1 258414619 573689683 /nfs/dbraw/zinc/68/96/83/573689683.db2.gz ZVLCGLGRZORKPO-GFCCVEGCSA-N 2 0 190.290 1.532 10 0 ADAERP C[NH2+][C@H](CC(C)C)C[C@H]1CCC[NH2+]1 259159226 573689774 /nfs/dbraw/zinc/68/97/74/573689774.db2.gz CUSQMHDCVNDCKL-GHMZBOCLSA-N 2 0 184.327 1.763 10 0 ADAERP CCC[NH2+][C@@H](CC)CC[NH+](C)C 126805509 573690146 /nfs/dbraw/zinc/69/01/46/573690146.db2.gz ARFFADWNLCTUON-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP c1csc(CC[NH2+]CC2C[NH2+]C2)c1 258883388 573690209 /nfs/dbraw/zinc/69/02/09/573690209.db2.gz KRHDQIWZCCJUCE-UHFFFAOYSA-N 2 0 196.319 1.100 10 0 ADAERP C[NH2+]CCCC[C@H]1CCC[N@H+](C)C1 259160956 573690410 /nfs/dbraw/zinc/69/04/10/573690410.db2.gz ORIWUQTZYQBQOL-NSHDSACASA-N 2 0 184.327 1.718 10 0 ADAERP C[C@H]1C[C@@H](C)[NH2+][C@H]2NCCC[C@@H]12 238478958 573690458 /nfs/dbraw/zinc/69/04/58/573690458.db2.gz WAZQHWZKOGWRDH-QCLAVDOMSA-N 2 0 168.284 1.330 10 0 ADAERP CC(C)[C@H]([NH3+])CC(C)(C)[NH3+] 259165755 573699412 /nfs/dbraw/zinc/69/94/12/573699412.db2.gz DSZAGNLZSWXRLD-SSDOTTSWSA-N 2 0 144.262 1.097 10 0 ADAERP COc1ccc([C@H]([NH3+])CC[NH3+])cc1F 259163211 573691186 /nfs/dbraw/zinc/69/11/86/573691186.db2.gz DQGGHYNDQGHEIF-SECBINFHSA-N 2 0 198.241 1.183 10 0 ADAERP Cc1ccccc1[C@@H]([NH3+])[C@H](C)CC[NH3+] 259558529 573691225 /nfs/dbraw/zinc/69/12/25/573691225.db2.gz XWZLCMFNXFGLTD-PWSUYJOCSA-N 2 0 192.306 1.980 10 0 ADAERP C[NH2+][C@@H](C[C@@H](C)C[NH3+])C(C)C 259557526 573691330 /nfs/dbraw/zinc/69/13/30/573691330.db2.gz WBFCASASYSWVRQ-BDAKNGLRSA-N 2 0 158.289 1.215 10 0 ADAERP C[NH2+][C@H](C[C@H](C)C[NH3+])C(C)C 259557529 573691371 /nfs/dbraw/zinc/69/13/71/573691371.db2.gz WBFCASASYSWVRQ-DTWKUNHWSA-N 2 0 158.289 1.215 10 0 ADAERP C[NH2+][C@H](C[C@H](C)[NH3+])c1cccc(C)c1 259164451 573691471 /nfs/dbraw/zinc/69/14/71/573691471.db2.gz BZVWOZFFSFFMQO-CMPLNLGQSA-N 2 0 192.306 1.993 10 0 ADAERP C[NH2+]CCCC[C@H]1CC[N@H+](C)C1 259163805 573691510 /nfs/dbraw/zinc/69/15/10/573691510.db2.gz OZRPZXIGIBPMNM-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP COc1ccccc1[C@@H]([NH3+])C[C@@H](C)[NH3+] 259558548 573691531 /nfs/dbraw/zinc/69/15/31/573691531.db2.gz XXFBIFOODDUOKT-SCZZXKLOSA-N 2 0 194.278 1.432 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@](C)(F)CC[NH3+])C1 257851158 573691682 /nfs/dbraw/zinc/69/16/82/573691682.db2.gz OXLVGWAJDBYEAC-UWVGGRQHSA-N 2 0 188.290 1.405 10 0 ADAERP C[NH2+]CCCC[C@@H]1CCC[N@H+](C)C1 259160952 573692907 /nfs/dbraw/zinc/69/29/07/573692907.db2.gz ORIWUQTZYQBQOL-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP Cc1ccccc1[C@]1(CC[NH3+])CC[NH2+]1 258414620 573692506 /nfs/dbraw/zinc/69/25/06/573692506.db2.gz ZVLCGLGRZORKPO-LBPRGKRZSA-N 2 0 190.290 1.532 10 0 ADAERP Cc1ccccc1[C@H]([NH3+])[C@H](C)CC[NH3+] 259558530 573692946 /nfs/dbraw/zinc/69/29/46/573692946.db2.gz XWZLCMFNXFGLTD-ZYHUDNBSSA-N 2 0 192.306 1.980 10 0 ADAERP [NH3+][C@H](C[C@H]1CCCC[NH2+]1)C1CCC1 259162823 573692611 /nfs/dbraw/zinc/69/26/11/573692611.db2.gz DOLXLNOZXNZMOI-GHMZBOCLSA-N 2 0 182.311 1.646 10 0 ADAERP C[N@@H+]1CC[C@H]([C@@H](C[NH3+])c2cc[nH]c2)C1 259162742 573692790 /nfs/dbraw/zinc/69/27/90/573692790.db2.gz NVUNQYJNYQTAMQ-QWRGUYRKSA-N 2 0 193.294 1.009 10 0 ADAERP C[NH2+][C@H](C[C@@H](C)[NH3+])c1cccc(C)c1 259164454 573692845 /nfs/dbraw/zinc/69/28/45/573692845.db2.gz BZVWOZFFSFFMQO-ZYHUDNBSSA-N 2 0 192.306 1.993 10 0 ADAERP CC(C)[C@@H]([NH3+])[C@H]1CCCC[NH2+]1 259165635 573692880 /nfs/dbraw/zinc/69/28/80/573692880.db2.gz DRNBPHYNKLLAJI-RKDXNWHRSA-N 2 0 156.273 1.112 10 0 ADAERP Cc1cccc([C@@H]([NH3+])CCC[NH3+])c1 259160403 573694438 /nfs/dbraw/zinc/69/44/38/573694438.db2.gz DNRLXIOYKFCPCY-NSHDSACASA-N 2 0 178.279 1.734 10 0 ADAERP Cc1ccc(C[NH2+]C(C)(C)CC[NH3+])o1 258881132 573693764 /nfs/dbraw/zinc/69/37/64/573693764.db2.gz QFSQKTMAZXNMLF-UHFFFAOYSA-N 2 0 196.294 1.805 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CCCC[NH2+]1)C1CCC1 259162830 573693785 /nfs/dbraw/zinc/69/37/85/573693785.db2.gz DOLXLNOZXNZMOI-QWRGUYRKSA-N 2 0 182.311 1.646 10 0 ADAERP CCC[C@@H]([NH3+])C[N@H+](C)CCC1CC1 308418757 573693824 /nfs/dbraw/zinc/69/38/24/573693824.db2.gz RTNRWQNDGNRHSS-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CCCC(C)(C)C[NH2+]CC1C[NH2+]C1 258883401 573693887 /nfs/dbraw/zinc/69/38/87/573693887.db2.gz KRNFTALNBSIMJC-UHFFFAOYSA-N 2 0 184.327 1.622 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@](C)(F)CC[NH3+])C1 257851165 573693949 /nfs/dbraw/zinc/69/39/49/573693949.db2.gz OXLVGWAJDBYEAC-ZJUUUORDSA-N 2 0 188.290 1.405 10 0 ADAERP CC(C)[C@H]([NH3+])[C@@H]1CCCC[NH2+]1 259165632 573694048 /nfs/dbraw/zinc/69/40/48/573694048.db2.gz DRNBPHYNKLLAJI-IUCAKERBSA-N 2 0 156.273 1.112 10 0 ADAERP COc1ccccc1[C@H]([NH3+])C[C@H](C)[NH3+] 259558550 573694090 /nfs/dbraw/zinc/69/40/90/573694090.db2.gz XXFBIFOODDUOKT-WCBMZHEXSA-N 2 0 194.278 1.432 10 0 ADAERP CC1(C)C[C@@H](C[NH3+])C[N@@H+]1C1CCCC1 259556771 573694193 /nfs/dbraw/zinc/69/41/93/573694193.db2.gz XOOQCXNNHJYOSC-JTQLQIEISA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+]CCCC[C@@H]1CC[N@H+](C)C1 259163808 573694229 /nfs/dbraw/zinc/69/42/29/573694229.db2.gz OZRPZXIGIBPMNM-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1[C@H](C[NH3+])C1(F)F 715172297 573695633 /nfs/dbraw/zinc/69/56/33/573695633.db2.gz ANYHFXWSWGWDCO-YUMQZZPRSA-N 2 0 192.253 1.167 10 0 ADAERP [NH3+]CCCc1ccc2c(c1)CC[NH2+]C2 258087349 573695267 /nfs/dbraw/zinc/69/52/67/573695267.db2.gz KBXIACJDCVCYDF-UHFFFAOYSA-N 2 0 190.290 1.224 10 0 ADAERP CC1(C)C[C@H](C[NH3+])C[N@@H+]1C1CCCC1 259556775 573695449 /nfs/dbraw/zinc/69/54/49/573695449.db2.gz XOOQCXNNHJYOSC-SNVBAGLBSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC2(CC[NH+](C)CC2)C[NH2+]1 238481988 573695489 /nfs/dbraw/zinc/69/54/89/573695489.db2.gz VDZXSSDUNAOEJT-SECBINFHSA-N 2 0 168.284 1.080 10 0 ADAERP [NH3+][C@@H]1CCC[N@H+](CCC2CC2)C1 83912937 573695544 /nfs/dbraw/zinc/69/55/44/573695544.db2.gz BFVVKDCZBMVLCW-SNVBAGLBSA-N 2 0 168.284 1.210 10 0 ADAERP C[NH2+][C@@H](C1CCCCC1)C1CC([NH3+])C1 259170925 573695546 /nfs/dbraw/zinc/69/55/46/573695546.db2.gz DFSUQQALPRATMF-MCIGGMRASA-N 2 0 196.338 1.892 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H](C[NH3+])c2cc[nH]c2)C1 259162743 573695597 /nfs/dbraw/zinc/69/55/97/573695597.db2.gz NVUNQYJNYQTAMQ-WDEREUQCSA-N 2 0 193.294 1.009 10 0 ADAERP CC1(CC[NH2+]C[C@H]2C[C@@H]2C[NH3+])CC1 715172316 573695861 /nfs/dbraw/zinc/69/58/61/573695861.db2.gz BCYGIXFAQBUKLV-NXEZZACHSA-N 2 0 182.311 1.361 10 0 ADAERP C[NH2+][C@H](C[C@@H](C)C[NH3+])C(C)C 259557537 573695865 /nfs/dbraw/zinc/69/58/65/573695865.db2.gz WBFCASASYSWVRQ-RKDXNWHRSA-N 2 0 158.289 1.215 10 0 ADAERP CC[C@@](C)([NH3+])CN(C)C[C@@H](C)OC 393552170 573696066 /nfs/dbraw/zinc/69/60/66/573696066.db2.gz HNPHIOSSIBXJDL-NXEZZACHSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC1CC1 83895162 573695950 /nfs/dbraw/zinc/69/59/50/573695950.db2.gz UANVJTAMOBNVNN-ONGXEEELSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CC[N@H+](CCC2CC2)CCC[NH2+]1 83912285 573700020 /nfs/dbraw/zinc/70/00/20/573700020.db2.gz ULBQJSDUQPWHFH-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)(CC[NH3+])[C@H]([NH3+])c1cc[nH]c1 259168614 573700022 /nfs/dbraw/zinc/70/00/22/573700022.db2.gz DVTCPIJNJZRQQL-SECBINFHSA-N 2 0 181.283 1.390 10 0 ADAERP C[NH2+]CC1(CNc2cc[nH+]cc2)CC1 258886818 573700851 /nfs/dbraw/zinc/70/08/51/573700851.db2.gz JPXWYZAJGRYFAV-UHFFFAOYSA-N 2 0 191.278 1.493 10 0 ADAERP CC(=[NH2+])N1C[C@H]2CCC[N@H+]2C[C@@H]1C 86933463 573699190 /nfs/dbraw/zinc/69/91/90/573699190.db2.gz WPIRXHQHKCGPJM-WCBMZHEXSA-N 2 0 181.283 1.152 10 0 ADAERP C[NH2+][C@@H]([C@H](C[NH3+])C(C)C)C(C)(C)C 259167480 573699258 /nfs/dbraw/zinc/69/92/58/573699258.db2.gz JBRBYBSBPBAJKR-ZJUUUORDSA-N 2 0 186.343 1.851 10 0 ADAERP C[N@H+](CCCC(N)=[NH2+])CCC1CC1 308425335 573699584 /nfs/dbraw/zinc/69/95/84/573699584.db2.gz WIMKBVITEJNRCS-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1[NH3+] 83895129 573699590 /nfs/dbraw/zinc/69/95/90/573699590.db2.gz JOAJJDUNHBLQCF-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C/C=C\C1CC1 393646497 573699663 /nfs/dbraw/zinc/69/96/63/573699663.db2.gz WFURSYKGWYHRAD-UVWWULRDSA-N 2 0 194.322 1.764 10 0 ADAERP CCC[C@H](CCC[NH3+])[NH2+]C 259166522 573699737 /nfs/dbraw/zinc/69/97/37/573699737.db2.gz DCAFQMRJTXQUNW-MRVPVSSYSA-N 2 0 144.262 1.113 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H]1CC(C)C 385168986 573699807 /nfs/dbraw/zinc/69/98/07/573699807.db2.gz FXVPEKWYKKLMAI-GRYCIOLGSA-N 2 0 198.354 1.996 10 0 ADAERP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCC1CC1 83912471 573699936 /nfs/dbraw/zinc/69/99/36/573699936.db2.gz OVIOTORDIULLCD-YOGCLGLASA-N 2 0 194.322 1.741 10 0 ADAERP C[NH2+][C@H]([C@@H](C[NH3+])C(C)C)C(C)(C)C 259167476 573700064 /nfs/dbraw/zinc/70/00/64/573700064.db2.gz JBRBYBSBPBAJKR-VHSXEESVSA-N 2 0 186.343 1.851 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]CCC1CC1 83895402 573700092 /nfs/dbraw/zinc/70/00/92/573700092.db2.gz VMEQCHFIWKGWHD-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP CCC(=[NH2+])N1C[C@H]2CCC[N@@H+]2C[C@@H]1C 86933459 573700298 /nfs/dbraw/zinc/70/02/98/573700298.db2.gz YUNVTLFSYJFTJR-VHSXEESVSA-N 2 0 195.310 1.542 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@H]([NH3+])CC(C)C 259168968 573700373 /nfs/dbraw/zinc/70/03/73/573700373.db2.gz CFINQWQYYUIMQV-WDEREUQCSA-N 2 0 186.343 1.851 10 0 ADAERP C[NH2+]CC(C)(C)[NH2+]C1CCCC1 258886361 573700472 /nfs/dbraw/zinc/70/04/72/573700472.db2.gz FFCHBAUGTRVCPV-UHFFFAOYSA-N 2 0 170.300 1.517 10 0 ADAERP C1C[C@@H]2CN(CC[NH2+]C3CC3)C[C@@H]2C1 126852679 573700644 /nfs/dbraw/zinc/70/06/44/573700644.db2.gz ZUAXULCKGUHGGB-PHIMTYICSA-N 2 0 194.322 1.470 10 0 ADAERP CC(C)(C[NH3+])[C@@H]([NH3+])C1CCCC1 259168642 573700965 /nfs/dbraw/zinc/70/09/65/573700965.db2.gz DVTVSDMIOFFWIK-VIFPVBQESA-N 2 0 170.300 1.489 10 0 ADAERP CCC(=[NH2+])N1CC[N@@H+]2CCC[C@@H]2C1 86933470 573700981 /nfs/dbraw/zinc/70/09/81/573700981.db2.gz QBFKKNVGRGMGEY-SECBINFHSA-N 2 0 181.283 1.154 10 0 ADAERP Cc1cc(C[NH3+])c(C[NH3+])cc1Cl 238483199 573700987 /nfs/dbraw/zinc/70/09/87/573700987.db2.gz CBQZIYBKJFUBJN-UHFFFAOYSA-N 2 0 184.670 1.566 10 0 ADAERP Cc1cc(C[NH3+])c(C[NH3+])cc1C 238483183 573701032 /nfs/dbraw/zinc/70/10/32/573701032.db2.gz YLCGEMARDRSJAP-UHFFFAOYSA-N 2 0 164.252 1.221 10 0 ADAERP Cc1cc(C[NH3+])c(Cl)cc1C[NH3+] 238483298 573701116 /nfs/dbraw/zinc/70/11/16/573701116.db2.gz REEGMAOSLFSLDV-UHFFFAOYSA-N 2 0 184.670 1.566 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH2+]Cc1ccoc1 130758614 573701134 /nfs/dbraw/zinc/70/11/34/573701134.db2.gz MKMUNWQUVCNISD-LLVKDONJSA-N 2 0 196.294 1.744 10 0 ADAERP C[NH2+][C@@H]([C@@H](C[NH3+])C(C)C)C(C)(C)C 259167473 573701215 /nfs/dbraw/zinc/70/12/15/573701215.db2.gz JBRBYBSBPBAJKR-UWVGGRQHSA-N 2 0 186.343 1.851 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H]([NH3+])CC(C)C 259167201 573701420 /nfs/dbraw/zinc/70/14/20/573701420.db2.gz CFINQWQYYUIMQV-MNOVXSKESA-N 2 0 186.343 1.851 10 0 ADAERP CCCC[NH2+]CCC[C@@H]1CCC[NH2+]1 308425282 573701351 /nfs/dbraw/zinc/70/13/51/573701351.db2.gz WESFLAZVRILHOO-LLVKDONJSA-N 2 0 184.327 1.908 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@H]([NH3+])CC(C)C 259167198 573701391 /nfs/dbraw/zinc/70/13/91/573701391.db2.gz CFINQWQYYUIMQV-GHMZBOCLSA-N 2 0 186.343 1.851 10 0 ADAERP CC[N@@H+]1CCC=C(C[C@@H](C)[NH2+]C)C1 258088771 573701492 /nfs/dbraw/zinc/70/14/92/573701492.db2.gz NHKCUFIBHJYJCF-SNVBAGLBSA-N 2 0 182.311 1.636 10 0 ADAERP Cc1ccc([C@H]([NH3+])C2(C[NH3+])CC2)cc1 259558116 573701519 /nfs/dbraw/zinc/70/15/19/573701519.db2.gz UXZRYPGNVFSXDH-NSHDSACASA-N 2 0 190.290 1.734 10 0 ADAERP CC(C)[C@@H]([NH3+])CC(C)(C)[NH3+] 259165757 573701579 /nfs/dbraw/zinc/70/15/79/573701579.db2.gz DSZAGNLZSWXRLD-ZETCQYMHSA-N 2 0 144.262 1.097 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C/C=C\C1CC1 393646496 573701596 /nfs/dbraw/zinc/70/15/96/573701596.db2.gz WFURSYKGWYHRAD-IRSQKABVSA-N 2 0 194.322 1.764 10 0 ADAERP CC(C)(C[NH3+])[C@H]([NH3+])C1CCCC1 259168637 573701765 /nfs/dbraw/zinc/70/17/65/573701765.db2.gz DVTVSDMIOFFWIK-SECBINFHSA-N 2 0 170.300 1.489 10 0 ADAERP CCCC[NH2+]CCC[C@H]1CCC[NH2+]1 308425283 573701794 /nfs/dbraw/zinc/70/17/94/573701794.db2.gz WESFLAZVRILHOO-NSHDSACASA-N 2 0 184.327 1.908 10 0 ADAERP CCCC(=[NH2+])N1CC[N@@H+]2CCC[C@@H]2C1 86933469 573701930 /nfs/dbraw/zinc/70/19/30/573701930.db2.gz ZXHBWSWDYMPLIP-SNVBAGLBSA-N 2 0 195.310 1.544 10 0 ADAERP C[NH+](C)C[C@@H]1CC[N@@H+](C2CCC2)C1 306440011 573701978 /nfs/dbraw/zinc/70/19/78/573701978.db2.gz KBLLWBPWHGHNEA-JTQLQIEISA-N 2 0 182.311 1.422 10 0 ADAERP C[NH2+][C@H](CC[NH3+])c1ccc(F)cc1 259558093 573702296 /nfs/dbraw/zinc/70/22/96/573702296.db2.gz UXROJWZHRMPDJP-SNVBAGLBSA-N 2 0 182.242 1.435 10 0 ADAERP Cc1ccc(C(N)=[NH2+])cc1[C@@H](C)[NH3+] 75845439 573703495 /nfs/dbraw/zinc/70/34/95/573703495.db2.gz HAYJQCFGZFYJLN-SSDOTTSWSA-N 2 0 177.251 1.299 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C2(C[NH3+])CC2)cc1 259558115 573702254 /nfs/dbraw/zinc/70/22/54/573702254.db2.gz UXZRYPGNVFSXDH-LLVKDONJSA-N 2 0 190.290 1.734 10 0 ADAERP CC[N@@H+]1CCC=C(C[C@H](C)[NH2+]C)C1 258088768 573703506 /nfs/dbraw/zinc/70/35/06/573703506.db2.gz NHKCUFIBHJYJCF-JTQLQIEISA-N 2 0 182.311 1.636 10 0 ADAERP Cc1ccccc1[C@H]([NH3+])[C@@H](C)CC[NH3+] 259558524 573703263 /nfs/dbraw/zinc/70/32/63/573703263.db2.gz XWZLCMFNXFGLTD-CMPLNLGQSA-N 2 0 192.306 1.980 10 0 ADAERP FCC[NH2+]CCC[C@@H]1CCCC[NH2+]1 393552493 573703273 /nfs/dbraw/zinc/70/32/73/573703273.db2.gz IRCRJJOKOOVEJR-JTQLQIEISA-N 2 0 188.290 1.468 10 0 ADAERP C[NH2+]CC(C)(C)N(C)c1cc[nH+]cc1 258886603 573703531 /nfs/dbraw/zinc/70/35/31/573703531.db2.gz QSCCDKQMNCQDIX-UHFFFAOYSA-N 2 0 193.294 1.516 10 0 ADAERP CCc1ncc([C@H](C)[NH3+])n1CC 108252713 573703287 /nfs/dbraw/zinc/70/32/87/573703287.db2.gz UZKNCENVMHRFOM-ZETCQYMHSA-N 2 0 167.256 1.485 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCCC[NH2+]2)C[NH2+]1 238483997 573703293 /nfs/dbraw/zinc/70/32/93/573703293.db2.gz KZYKOPDCDGWUOL-UTLUCORTSA-N 2 0 168.284 1.127 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1[C@@H](C[NH3+])C1(F)F 715172826 573703338 /nfs/dbraw/zinc/70/33/38/573703338.db2.gz HBTOUJVUPPYVHK-RNFRBKRXSA-N 2 0 192.253 1.215 10 0 ADAERP COc1ccc([C@@H]([NH3+])[C@H](C)C[NH3+])cc1 259171197 573703538 /nfs/dbraw/zinc/70/35/38/573703538.db2.gz DWDFSEVCOFTLOQ-KCJUWKMLSA-N 2 0 194.278 1.290 10 0 ADAERP CCn1c([C@@H](C)[NH3+])cnc1C 108252690 573703393 /nfs/dbraw/zinc/70/33/93/573703393.db2.gz NEUZASPWODTASZ-ZCFIWIBFSA-N 2 0 153.229 1.231 10 0 ADAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccoc1 130767537 573703400 /nfs/dbraw/zinc/70/34/00/573703400.db2.gz IVDHNDYGEWXMFG-LLVKDONJSA-N 2 0 196.294 1.743 10 0 ADAERP C1CC[C@@H]2C[NH2+]CCC[C@@H]2[NH2+]C1 238017483 573703441 /nfs/dbraw/zinc/70/34/41/573703441.db2.gz WSZAUOXXSNMUCK-ZJUUUORDSA-N 2 0 168.284 1.128 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1[C@H](C[NH3+])C1(F)F 715172824 573705397 /nfs/dbraw/zinc/70/53/97/573705397.db2.gz HBTOUJVUPPYVHK-BQBZGAKWSA-N 2 0 192.253 1.215 10 0 ADAERP C1CC[C@@H]2CC[NH2+]CC[C@@H]2[NH2+]C1 238017426 573704722 /nfs/dbraw/zinc/70/47/22/573704722.db2.gz FFQFXKLKCRXJHQ-ZJUUUORDSA-N 2 0 168.284 1.128 10 0 ADAERP C[NH2+][C@H](CCC[NH3+])c1cccc(C)c1 259171147 573705706 /nfs/dbraw/zinc/70/57/06/573705706.db2.gz DHRBNIDQMCWSBM-GFCCVEGCSA-N 2 0 192.306 1.994 10 0 ADAERP Cc1cc(C[NH3+])c(F)cc1C[NH3+] 238483370 573704781 /nfs/dbraw/zinc/70/47/81/573704781.db2.gz UBTKBRAMQDBQSC-UHFFFAOYSA-N 2 0 168.215 1.052 10 0 ADAERP COc1ccc([C@H]([NH3+])[C@H](C)C[NH3+])cc1 259171200 573704856 /nfs/dbraw/zinc/70/48/56/573704856.db2.gz DWDFSEVCOFTLOQ-LDYMZIIASA-N 2 0 194.278 1.290 10 0 ADAERP C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1[NH3+] 83935388 573704964 /nfs/dbraw/zinc/70/49/64/573704964.db2.gz AHDYAOJKFLGVHO-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP CCn1c([C@@H](C)[NH3+])cnc1C1CC1 108252946 573705063 /nfs/dbraw/zinc/70/50/63/573705063.db2.gz JRWMEUQQFNVYTC-SSDOTTSWSA-N 2 0 179.267 1.800 10 0 ADAERP C[C@H]([NH3+])[C@H](C)C[NH2+]Cc1ccoc1 130770413 573705095 /nfs/dbraw/zinc/70/50/95/573705095.db2.gz PUQYYLKINJPOOI-BDAKNGLRSA-N 2 0 182.267 1.353 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@@H](C)C1 258100399 573705137 /nfs/dbraw/zinc/70/51/37/573705137.db2.gz HCNRFHJJJYKCSV-GARJFASQSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H](C[NH2+]Cc1ccoc1)[C@@H](C)[NH3+] 130769771 573705198 /nfs/dbraw/zinc/70/51/98/573705198.db2.gz PUQYYLKINJPOOI-DTWKUNHWSA-N 2 0 182.267 1.353 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1[C@@H](C[NH3+])C1(F)F 715172828 573705240 /nfs/dbraw/zinc/70/52/40/573705240.db2.gz HBTOUJVUPPYVHK-RQJHMYQMSA-N 2 0 192.253 1.215 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]1C 393553103 573705267 /nfs/dbraw/zinc/70/52/67/573705267.db2.gz WEWGIOLAJFQBGM-HBNTYKKESA-N 2 0 184.327 1.605 10 0 ADAERP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[C@H]1C 393553104 573705275 /nfs/dbraw/zinc/70/52/75/573705275.db2.gz WEWGIOLAJFQBGM-MXWKQRLJSA-N 2 0 184.327 1.605 10 0 ADAERP C[NH2+]C(C)(C)[C@H](N)c1ccc(F)cc1 259176915 573705290 /nfs/dbraw/zinc/70/52/90/573705290.db2.gz FCOSSFCEKVPSRA-SNVBAGLBSA-N 2 0 196.269 1.824 10 0 ADAERP C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1[NH3+] 83935384 573705335 /nfs/dbraw/zinc/70/53/35/573705335.db2.gz AHDYAOJKFLGVHO-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H](N)[C@H]1CCCC[N@@H+]1CCC1CC1 83926008 573705450 /nfs/dbraw/zinc/70/54/50/573705450.db2.gz TZKIETLPCPNMIO-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 308687856 573705528 /nfs/dbraw/zinc/70/55/28/573705528.db2.gz QHZHWKKNSZDSEP-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H]1CCC[N@@H+]([C@H](C)CC(N)=[NH2+])C1 202035635 573705649 /nfs/dbraw/zinc/70/56/49/573705649.db2.gz LDKCBCBXSQZZBQ-ZJUUUORDSA-N 2 0 197.326 1.823 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 308687858 573707343 /nfs/dbraw/zinc/70/73/43/573707343.db2.gz QHZHWKKNSZDSEP-WOPDTQHZSA-N 2 0 196.338 1.764 10 0 ADAERP CCC[C@H](C[NH3+])C[NH2+]Cc1ccoc1 130773139 573707370 /nfs/dbraw/zinc/70/73/70/573707370.db2.gz LYXINEIXQKFTNV-SNVBAGLBSA-N 2 0 196.294 1.744 10 0 ADAERP CN(c1cc[nH+]cc1)C(C)(C)CC[NH3+] 258889226 573707515 /nfs/dbraw/zinc/70/75/15/573707515.db2.gz QZFKCGCNFZPPPZ-UHFFFAOYSA-N 2 0 193.294 1.645 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1C[NH2+]Cc1ccoc1 130764680 573707707 /nfs/dbraw/zinc/70/77/07/573707707.db2.gz WCMSWMMCLPXKNV-WDEREUQCSA-N 2 0 194.278 1.497 10 0 ADAERP C[NH2+]CCC[NH+]1CCC2(CCC2)CC1 308688112 573707714 /nfs/dbraw/zinc/70/77/14/573707714.db2.gz BTSOGABVWFRASV-UHFFFAOYSA-N 2 0 196.338 1.862 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 308687854 573708046 /nfs/dbraw/zinc/70/80/46/573708046.db2.gz QHZHWKKNSZDSEP-IJLUTSLNSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[C@@H]([NH3+])C(C)(C)C 259561366 573708240 /nfs/dbraw/zinc/70/82/40/573708240.db2.gz VAPUTFVFTJAPDZ-VHSXEESVSA-N 2 0 186.343 1.851 10 0 ADAERP C1CC[C@@H](CC[NH2+]C2CCC2)[NH2+]C1 258888703 573708404 /nfs/dbraw/zinc/70/84/04/573708404.db2.gz CKKLRLCAXNDPKH-NSHDSACASA-N 2 0 182.311 1.661 10 0 ADAERP [NH3+]Cc1cc2cccc(C[NH3+])c2o1 257850771 573709792 /nfs/dbraw/zinc/70/97/92/573709792.db2.gz BOCZKEUHJAQSRB-UHFFFAOYSA-N 2 0 176.219 1.350 10 0 ADAERP CCC[NH2+]C[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 308687853 573708671 /nfs/dbraw/zinc/70/86/71/573708671.db2.gz QHZHWKKNSZDSEP-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccoc1 130774628 573708695 /nfs/dbraw/zinc/70/86/95/573708695.db2.gz XKTDYRIWYGIHRD-SECBINFHSA-N 2 0 182.267 1.354 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1[C@H]1CC[C@@H](C)C1 122199391 573708731 /nfs/dbraw/zinc/70/87/31/573708731.db2.gz XRSFBUAVWMQRKO-RHYQMDGZSA-N 2 0 196.338 1.987 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 130783527 573708745 /nfs/dbraw/zinc/70/87/45/573708745.db2.gz HKRBSERXHDSWBR-MWLCHTKSSA-N 2 0 194.278 1.497 10 0 ADAERP CCOc1ccncc1CCC[NH2+]C 308691485 573708782 /nfs/dbraw/zinc/70/87/82/573708782.db2.gz RPZKVFPBROZANN-UHFFFAOYSA-N 2 0 194.278 1.632 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+]Cc1ccoc1 130791539 573708806 /nfs/dbraw/zinc/70/88/06/573708806.db2.gz ZLFAPSIJQKFACP-NSHDSACASA-N 2 0 196.294 1.600 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH2+]Cc2ccoc2)C1 130783330 573709042 /nfs/dbraw/zinc/70/90/42/573709042.db2.gz HKRBSERXHDSWBR-ONGXEEELSA-N 2 0 194.278 1.497 10 0 ADAERP [NH3+][C@H]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 130783142 573709096 /nfs/dbraw/zinc/70/90/96/573709096.db2.gz HKRBSERXHDSWBR-KOLCDFICSA-N 2 0 194.278 1.497 10 0 ADAERP C1CC[C@H](CC[NH2+]C2CCC2)[NH2+]C1 258888701 573709116 /nfs/dbraw/zinc/70/91/16/573709116.db2.gz CKKLRLCAXNDPKH-LLVKDONJSA-N 2 0 182.311 1.661 10 0 ADAERP C[NH2+][C@H](C1CCC1)[C@@H]1CCCC[NH2+]1 259561152 573709226 /nfs/dbraw/zinc/70/92/26/573709226.db2.gz WESAGGZKESXFKA-WDEREUQCSA-N 2 0 182.311 1.517 10 0 ADAERP [NH3+][C@H](CC[NH2+]Cc1ccoc1)C1CC1 130776122 573709235 /nfs/dbraw/zinc/70/92/35/573709235.db2.gz ZJCIJNNZCNNWMI-LLVKDONJSA-N 2 0 194.278 1.497 10 0 ADAERP C[C@H]1CCC2(CC[C@H](C)[NH2+]C2)C[NH2+]1 238490741 573709283 /nfs/dbraw/zinc/70/92/83/573709283.db2.gz TWAQYCNGJIRYLK-QRHSGQBVSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H](C[NH3+])CCC[NH2+]Cc1ccoc1 130775520 573709331 /nfs/dbraw/zinc/70/93/31/573709331.db2.gz OZWXGADDTMITNH-JTQLQIEISA-N 2 0 196.294 1.744 10 0 ADAERP CCOc1ccncc1[C@@H](F)CC[NH3+] 308688516 573709423 /nfs/dbraw/zinc/70/94/23/573709423.db2.gz QOBIDDCJJGBTMS-VIFPVBQESA-N 2 0 198.241 1.840 10 0 ADAERP C[C@H](CCCC[NH3+])NN1CCCCC1 308690638 573709536 /nfs/dbraw/zinc/70/95/36/573709536.db2.gz RIOLCGMDUIJKBZ-LLVKDONJSA-N 2 0 199.342 1.494 10 0 ADAERP CN(CCCC[NH3+])c1cc[nH+]cc1 258887944 573709595 /nfs/dbraw/zinc/70/95/95/573709595.db2.gz LCDAACIOEXAZHC-UHFFFAOYSA-N 2 0 179.267 1.257 10 0 ADAERP C[NH2+]C[C@H](C(C)C)[C@@H]([NH3+])C(C)(C)C 259561361 573709728 /nfs/dbraw/zinc/70/97/28/573709728.db2.gz VAPUTFVFTJAPDZ-NXEZZACHSA-N 2 0 186.343 1.851 10 0 ADAERP [NH3+]CCCCC[NH2+]Cc1ccoc1 130777580 573710083 /nfs/dbraw/zinc/71/00/83/573710083.db2.gz LRFMTXJTSVYIND-UHFFFAOYSA-N 2 0 182.267 1.498 10 0 ADAERP Cc1ccccc1[C@@H]1C[NH2+]C[C@@H]([NH3+])C1 238491144 573710257 /nfs/dbraw/zinc/71/02/57/573710257.db2.gz FTSAUDUBVKXSSX-QWRGUYRKSA-N 2 0 190.290 1.399 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH2+]Cc1ccoc1 130787231 573712488 /nfs/dbraw/zinc/71/24/88/573712488.db2.gz RXFPKECXZGZVAD-LLVKDONJSA-N 2 0 196.294 1.887 10 0 ADAERP C[C@@H](CC[NH3+])C[NH2+]Cc1ccoc1 130774443 573712526 /nfs/dbraw/zinc/71/25/26/573712526.db2.gz XKTDYRIWYGIHRD-VIFPVBQESA-N 2 0 182.267 1.354 10 0 ADAERP CCC[C@H]([NH3+])CC[NH+]1CCCC1 83963412 573712530 /nfs/dbraw/zinc/71/25/30/573712530.db2.gz YJZUYJHLOPHCHZ-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccoc1 130779916 573712544 /nfs/dbraw/zinc/71/25/44/573712544.db2.gz DRMLCPFLBPORFW-MRVPVSSYSA-N 2 0 168.240 1.107 10 0 ADAERP Cc1ccc(C[C@H]2CC[NH2+]C2)c(C)n1 238493202 573712713 /nfs/dbraw/zinc/71/27/13/573712713.db2.gz OGZKPYNZEGVRGP-LLVKDONJSA-N 2 0 190.290 1.850 10 0 ADAERP CC(C)(C)[C@H](C[NH3+])C[NH2+]C1CC1 258096371 573712932 /nfs/dbraw/zinc/71/29/32/573712932.db2.gz KACNIHFLLQUTLQ-MRVPVSSYSA-N 2 0 170.300 1.359 10 0 ADAERP CC1(C)CSC[C@@H]([NH2+]CCN)C1 86975318 573723362 /nfs/dbraw/zinc/72/33/62/573723362.db2.gz PWCSSBFBUVRGIR-QMMMGPOBSA-N 2 0 188.340 1.066 10 0 ADAERP CC[NH+](CC)C[C@H]1[C@H](C[NH3+])C1(F)F 715173288 573713230 /nfs/dbraw/zinc/71/32/30/573713230.db2.gz IXMDXSFIAKPAFL-YUMQZZPRSA-N 2 0 192.253 1.168 10 0 ADAERP C[NH2+][C@@H]([C@@H]1CCC[NH2+]1)C(C)(C)C 259173327 573715586 /nfs/dbraw/zinc/71/55/86/573715586.db2.gz DKCZMMFVLDBZSB-IUCAKERBSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@@H](CNc1cncc(N)c1)[NH+](C)C 122268006 573717300 /nfs/dbraw/zinc/71/73/00/573717300.db2.gz VNFLXLZQNHAHLO-QMMMGPOBSA-N 2 0 194.282 1.026 10 0 ADAERP C[NH+](C)Cc1ccccc1/C=C/C[NH3+] 258098514 573717314 /nfs/dbraw/zinc/71/73/14/573717314.db2.gz OPJGMSXUNLAYSS-VMPITWQZSA-N 2 0 190.290 1.720 10 0 ADAERP C[C@@]1([C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 258097655 573717416 /nfs/dbraw/zinc/71/74/16/573717416.db2.gz GWQLUCFESJOPGA-MNOVXSKESA-N 2 0 182.311 1.518 10 0 ADAERP C[C@H](CNc1cncc(N)c1)[NH+](C)C 122268202 573716045 /nfs/dbraw/zinc/71/60/45/573716045.db2.gz VNFLXLZQNHAHLO-MRVPVSSYSA-N 2 0 194.282 1.026 10 0 ADAERP C[N@@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259172797 573715884 /nfs/dbraw/zinc/71/58/84/573715884.db2.gz GWPXOVYCIVGSEG-VIFPVBQESA-N 2 0 170.300 1.313 10 0 ADAERP C[NH2+]Cn1ccc2c[nH+]ccc21 258097500 573716172 /nfs/dbraw/zinc/71/61/72/573716172.db2.gz KGSNGJNMUGIOPC-UHFFFAOYSA-N 2 0 161.208 1.213 10 0 ADAERP C[NH+](C)Cc1ccc(C[NH3+])cc1Cl 108270452 573716262 /nfs/dbraw/zinc/71/62/62/573716262.db2.gz LTVWIUMTWKTHMD-UHFFFAOYSA-N 2 0 198.697 1.860 10 0 ADAERP CC[NH+](CC)C[C@H]1[C@@H](C[NH3+])C1(F)F 715173287 573716423 /nfs/dbraw/zinc/71/64/23/573716423.db2.gz IXMDXSFIAKPAFL-SFYZADRCSA-N 2 0 192.253 1.168 10 0 ADAERP C[NH2+][C@H]([C@H]1CCC[NH2+]1)C(C)(C)C 259173329 573716429 /nfs/dbraw/zinc/71/64/29/573716429.db2.gz DKCZMMFVLDBZSB-RKDXNWHRSA-N 2 0 170.300 1.373 10 0 ADAERP CC(C)[C@@]1([C@H]2CCC[NH2+]2)CCC[NH2+]1 258097461 573716444 /nfs/dbraw/zinc/71/64/44/573716444.db2.gz GUYQBEXFMKISGV-GHMZBOCLSA-N 2 0 182.311 1.517 10 0 ADAERP CC(C)[C@]1([C@@H]2CCC[NH2+]2)CCC[NH2+]1 258097470 573716466 /nfs/dbraw/zinc/71/64/66/573716466.db2.gz GUYQBEXFMKISGV-QWRGUYRKSA-N 2 0 182.311 1.517 10 0 ADAERP CC(C)[C@@]1([C@H]2CCC[N@@H+]2C)CCC[NH2+]1 258097752 573716508 /nfs/dbraw/zinc/71/65/08/573716508.db2.gz GWYSTXMKVWTWSU-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@@H+](C1CC1)[C@@H](C)CCCC[NH3+] 393555725 573716691 /nfs/dbraw/zinc/71/66/91/573716691.db2.gz RHUACTIHKXQUGX-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP C[NH+]1CCC(CC2([NH3+])CCC2)CC1 258098218 573717740 /nfs/dbraw/zinc/71/77/40/573717740.db2.gz RXYXOSAPTOYCCV-UHFFFAOYSA-N 2 0 182.311 1.600 10 0 ADAERP C[NH+](C)C1(CCC[NH3+])CCCCC1 238321174 573717031 /nfs/dbraw/zinc/71/70/31/573717031.db2.gz KAMKEJYYFKOHNY-UHFFFAOYSA-N 2 0 184.327 1.990 10 0 ADAERP CC[NH+](CC)C[C@@H]1[C@@H](C[NH3+])C1(F)F 715173286 573717321 /nfs/dbraw/zinc/71/73/21/573717321.db2.gz IXMDXSFIAKPAFL-HTQZYQBOSA-N 2 0 192.253 1.168 10 0 ADAERP C1CCC(CC[NH2+]CC2C[NH2+]C2)C1 258891746 573717485 /nfs/dbraw/zinc/71/74/85/573717485.db2.gz LHNBMFITJQTTJX-UHFFFAOYSA-N 2 0 182.311 1.376 10 0 ADAERP CC(C)[C@]1([C@H]2CCC[N@@H+]2C)CCC[NH2+]1 258097736 573717842 /nfs/dbraw/zinc/71/78/42/573717842.db2.gz GWYSTXMKVWTWSU-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@]1([C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 258097651 573717890 /nfs/dbraw/zinc/71/78/90/573717890.db2.gz GWQLUCFESJOPGA-GHMZBOCLSA-N 2 0 182.311 1.518 10 0 ADAERP CN(Cc1cc[nH]c1)C(C)(C)C[NH3+] 258891761 573718001 /nfs/dbraw/zinc/71/80/01/573718001.db2.gz RECZWBMEQDSMJB-UHFFFAOYSA-N 2 0 181.283 1.184 10 0 ADAERP C[C@@]1([C@H]2CCC[NH2+]C2)CCCC[NH2+]1 258097660 573718285 /nfs/dbraw/zinc/71/82/85/573718285.db2.gz GWQLUCFESJOPGA-QWRGUYRKSA-N 2 0 182.311 1.518 10 0 ADAERP CCC(CC)[NH2+][C@@H](CC)C1C[NH2+]C1 716117393 573718301 /nfs/dbraw/zinc/71/83/01/573718301.db2.gz BWNKAUBSIAQRMF-NSHDSACASA-N 2 0 184.327 1.763 10 0 ADAERP [NH3+]CCCCC[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308680500 573718410 /nfs/dbraw/zinc/71/84/10/573718410.db2.gz XKZFZOMBMPTOPS-GDNZZTSVSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@H]([NH3+])CCC[N@@H+]1CC[C@@H]2CCC[C@H]21 393555808 573718539 /nfs/dbraw/zinc/71/85/39/573718539.db2.gz LSTHUCFOWMRSHU-SDDRHHMPSA-N 2 0 196.338 1.988 10 0 ADAERP CC[N@H+]1CC=C(C[C@@H](C)[NH2+]C)CC1 258104679 573720242 /nfs/dbraw/zinc/72/02/42/573720242.db2.gz OFKMPEUJKCOBOA-SNVBAGLBSA-N 2 0 182.311 1.636 10 0 ADAERP C[C@H]([NH3+])CCC[N@@H+]1CC[C@H]2CCC[C@@H]21 393555814 573720300 /nfs/dbraw/zinc/72/03/00/573720300.db2.gz LSTHUCFOWMRSHU-TUAOUCFPSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@H]1C[N@H+](CC(C)C)CC[C@@H]1C[NH3+] 122322877 573721601 /nfs/dbraw/zinc/72/16/01/573721601.db2.gz QBFMFNBVCSQXAY-NWDGAFQWSA-N 2 0 198.354 1.949 10 0 ADAERP Cc1ncccc1[C@@H]1CC[NH2+]C[C@H]1F 238495102 573721903 /nfs/dbraw/zinc/72/19/03/573721903.db2.gz CQGOVERBNWBMTJ-WDEREUQCSA-N 2 0 194.253 1.805 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1CC[N@H+](C)C1 308680960 573722024 /nfs/dbraw/zinc/72/20/24/573722024.db2.gz XOXQQVYJSDHJCV-GRYCIOLGSA-N 2 0 196.338 1.574 10 0 ADAERP Cc1ccccc1[C@H]1C[NH2+]C[C@H]([NH3+])C1 238496358 573722549 /nfs/dbraw/zinc/72/25/49/573722549.db2.gz FTSAUDUBVKXSSX-GHMZBOCLSA-N 2 0 190.290 1.399 10 0 ADAERP Cc1ncccc1[C@@H]1CC[C@@H]([NH3+])C1 238495156 573722605 /nfs/dbraw/zinc/72/26/05/573722605.db2.gz ZMRUYHDOHZGHAG-NXEZZACHSA-N 2 0 176.263 1.985 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@H]1CC[NH3+] 108283801 573722625 /nfs/dbraw/zinc/72/26/25/573722625.db2.gz QXQQJTHCGGTPES-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1CC[N@H+](C)C1 308680961 573722641 /nfs/dbraw/zinc/72/26/41/573722641.db2.gz XOXQQVYJSDHJCV-IJLUTSLNSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@H]1Cc2ccccc2[C@@H](CC[NH3+])[NH2+]1 238485682 573723173 /nfs/dbraw/zinc/72/31/73/573723173.db2.gz AQSSRHUBKBJTLR-JOYOIKCWSA-N 2 0 190.290 1.611 10 0 ADAERP CC1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1(C)C 690228455 573723189 /nfs/dbraw/zinc/72/31/89/573723189.db2.gz NVNCSIPOCGLMJJ-AOOOYVTPSA-N 2 0 196.338 1.844 10 0 ADAERP CC1(C)C[N@H+](C[C@H]2C[C@H]([NH3+])C2)C1(C)C 690228456 573723090 /nfs/dbraw/zinc/72/30/90/573723090.db2.gz NVNCSIPOCGLMJJ-MGCOHNPYSA-N 2 0 196.338 1.844 10 0 ADAERP Cc1ccccc1[C@H]1C[NH2+]C[C@@H]([NH3+])C1 238496315 573723279 /nfs/dbraw/zinc/72/32/79/573723279.db2.gz FTSAUDUBVKXSSX-MNOVXSKESA-N 2 0 190.290 1.399 10 0 ADAERP C[NH2+]Cc1coc2cc(C[NH3+])ccc12 258104768 573724394 /nfs/dbraw/zinc/72/43/94/573724394.db2.gz SGHIIPQCQZJQLY-UHFFFAOYSA-N 2 0 190.246 1.611 10 0 ADAERP CC[N@H+]1CC=C(C[C@H](C)[NH2+]C)CC1 258104676 573724458 /nfs/dbraw/zinc/72/44/58/573724458.db2.gz OFKMPEUJKCOBOA-JTQLQIEISA-N 2 0 182.311 1.636 10 0 ADAERP CN(C)CC[NH2+]C1CC(C(F)F)C1 308426253 573724663 /nfs/dbraw/zinc/72/46/63/573724663.db2.gz RIORVHIIFSBBEN-UHFFFAOYSA-N 2 0 192.253 1.181 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@@H]1CC[NH3+] 108283795 573725796 /nfs/dbraw/zinc/72/57/96/573725796.db2.gz QXQQJTHCGGTPES-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH2+]C[C@]1(C2CC2)CCC[N@@H+]1C 258892248 573725846 /nfs/dbraw/zinc/72/58/46/573725846.db2.gz YONTVFVBOQPDNH-JTQLQIEISA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@@]1([C@H]2CCC[NH2+]2)CCCC[NH2+]1 258109091 573726097 /nfs/dbraw/zinc/72/60/97/573726097.db2.gz HOUSFFXJAJPCOK-MNOVXSKESA-N 2 0 182.311 1.661 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@]2(C)CCC[NH2+]2)C1 258109046 573726396 /nfs/dbraw/zinc/72/63/96/573726396.db2.gz HNSRCBNWFJHSBG-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP CC[N@@H+]1CCC[C@@H]1CC1([NH3+])CC1 258108152 573726525 /nfs/dbraw/zinc/72/65/25/573726525.db2.gz SLKJUHBQMSSWRY-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP C[NH+](C)[C@@H]1CCC[C@H]1CC[NH3+] 108283798 573726584 /nfs/dbraw/zinc/72/65/84/573726584.db2.gz QXQQJTHCGGTPES-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP [NH3+]CCCC[C@H]1CCCC[NH2+]1 144827331 573726793 /nfs/dbraw/zinc/72/67/93/573726793.db2.gz OWLCAIPZAXOQSI-VIFPVBQESA-N 2 0 156.273 1.258 10 0 ADAERP C[C@H](C[NH3+])c1cccc(C[NH+](C)C)c1 258108506 573726819 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DGIXRQHYHPRPBI-SNVBAGLBSA-N 2 0 194.278 1.684 10 0 ADAERP C[NH2+]C[C@H]1CC[C@@H]([NH+]2CCC2)C1 108287390 573734536 /nfs/dbraw/zinc/73/45/36/573734536.db2.gz KUDDYYYELCHPOI-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+][C@H]2CCCCO2)C1 257852194 573732650 /nfs/dbraw/zinc/73/26/50/573732650.db2.gz MXTGQZJPOPJQOT-GMTAPVOTSA-N 2 0 198.310 1.230 10 0 ADAERP CC1(C)C[NH+]([C@@H]2CC[C@@H]([NH3+])C2)C1 108287449 573732984 /nfs/dbraw/zinc/73/29/84/573732984.db2.gz DCESBIGWIWUOGU-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP [NH3+]CC[C@H]1CCC[C@H]1[NH+]1CCC1 108287489 573733001 /nfs/dbraw/zinc/73/30/01/573733001.db2.gz DCKZNJPYWXZCFJ-NXEZZACHSA-N 2 0 168.284 1.210 10 0 ADAERP CC[NH+](CC)C[C@]1(F)CC[C@@H]([NH3+])C1 257852567 573733172 /nfs/dbraw/zinc/73/31/72/573733172.db2.gz PGHWDYHEEFDIEE-ZJUUUORDSA-N 2 0 188.290 1.548 10 0 ADAERP C[NH2+][C@H]1CC[C@@H]([NH+]2CC(C)C2)C1 108287413 573733195 /nfs/dbraw/zinc/73/31/95/573733195.db2.gz ODWYWVILBVRTLL-VHSXEESVSA-N 2 0 168.284 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CC(C)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 108307413 573751702 /nfs/dbraw/zinc/75/17/02/573751702.db2.gz GPKKJTLJLBCKPR-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH+](CC)Cc1ccc(C[NH3+])nc1 257865452 573751706 /nfs/dbraw/zinc/75/17/06/573751706.db2.gz RYHRCAVRRPVPRU-UHFFFAOYSA-N 2 0 193.294 1.382 10 0 ADAERP CC(C)[C@H]1CCN(C[C@@H]2CCC[NH2+]2)C1 108307311 573751788 /nfs/dbraw/zinc/75/17/88/573751788.db2.gz WQSWLHNNPUWSOA-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 108307291 573753185 /nfs/dbraw/zinc/75/31/85/573753185.db2.gz GCDCIMQIJDHNJI-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@H](C[NH2+]C)C[NH2+]Cc1cc[nH]c1 258909119 573751895 /nfs/dbraw/zinc/75/18/95/573751895.db2.gz FQQCWDHYWOJYRO-SNVBAGLBSA-N 2 0 195.310 1.350 10 0 ADAERP CC[C@@H](C[NH2+]C)C[NH2+]Cc1cc[nH]c1 258909118 573751925 /nfs/dbraw/zinc/75/19/25/573751925.db2.gz FQQCWDHYWOJYRO-JTQLQIEISA-N 2 0 195.310 1.350 10 0 ADAERP C[C@H]([NH2+][C@H](C)Cc1ccco1)[C@@H](C)[NH3+] 308707567 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180.295 1.390 10 0 ADAERP CCC[N@H+](C1CC1)[C@@H]1CC[NH2+]C[C@@H]1C 308710206 573760965 /nfs/dbraw/zinc/76/09/65/573760965.db2.gz YGXDDSKIZBFXDF-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP CCn1cc[nH+]c1NCc1c[nH]cn1 84081356 573761118 /nfs/dbraw/zinc/76/11/18/573761118.db2.gz BETZTFZYWKBBET-UHFFFAOYSA-N 2 0 191.238 1.238 10 0 ADAERP C[C@H]([NH3+])n1ccc2c[nH+]ccc21 257868846 573761143 /nfs/dbraw/zinc/76/11/43/573761143.db2.gz ABERYCAHTDYMGE-SSDOTTSWSA-N 2 0 161.208 1.514 10 0 ADAERP Cc1[nH]c2c([nH+]1)[C@@H](CC[NH3+])CCC2 76089400 573761180 /nfs/dbraw/zinc/76/11/80/573761180.db2.gz SRSTXNRUHQSESV-MRVPVSSYSA-N 2 0 179.267 1.487 10 0 ADAERP C[C@@H]1C[N@@H+]([C@H]2CC=CCC2)CCCN1 84080692 573761244 /nfs/dbraw/zinc/76/12/44/573761244.db2.gz RIWOEFSLJNHVRR-NEPJUHHUSA-N 2 0 194.322 1.779 10 0 ADAERP Cc1[nH]c2c([nH+]1)[C@@H](CCC[NH3+])CCC2 76089442 573761276 /nfs/dbraw/zinc/76/12/76/573761276.db2.gz HZZBEDSYKFAXSL-SECBINFHSA-N 2 0 193.294 1.877 10 0 ADAERP C[NH2+]C[C@H](C[N@H+](C)C(C)C)C(C)C 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DJVQSQXCKGQNJE-UHFFFAOYSA-N 2 0 188.234 1.725 10 0 ADAERP Cc1[nH+]c2c(n1C)CC[C@@H]([C@H](C)[NH3+])C2 76089673 573764857 /nfs/dbraw/zinc/76/48/57/573764857.db2.gz WCXCHHLOLGNDAC-IONNQARKSA-N 2 0 193.294 1.181 10 0 ADAERP [NH3+]Cc1cccc([C@]2(F)CC[NH2+]C2)c1 257869045 573764976 /nfs/dbraw/zinc/76/49/76/573764976.db2.gz SRCXVCVWGVEWLZ-NSHDSACASA-N 2 0 194.253 1.303 10 0 ADAERP CC[N@@H+]1CC[C@@H](/C=C\CC[NH3+])C1 258123280 573765010 /nfs/dbraw/zinc/76/50/10/573765010.db2.gz IOFMEVKSVVFLOE-TZGMSPROSA-N 2 0 168.284 1.233 10 0 ADAERP CC(C)C[C@H]([NH3+])C[C@@H](C)[NH3+] 259566255 573765144 /nfs/dbraw/zinc/76/51/44/573765144.db2.gz YGWDUJXJKLOLAQ-SFYZADRCSA-N 2 0 144.262 1.097 10 0 ADAERP CC[N@@H+](C1CCCC1)[C@@H](C)C1C[NH2+]C1 686255232 573765210 /nfs/dbraw/zinc/76/52/10/573765210.db2.gz DLEXOYYLBYHOGQ-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+]Cc1cccc([C@@]2(F)CC[NH2+]C2)c1 257869044 573765279 /nfs/dbraw/zinc/76/52/79/573765279.db2.gz SRCXVCVWGVEWLZ-LLVKDONJSA-N 2 0 194.253 1.303 10 0 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PKGPWHVYEHGTEQ-QWRGUYRKSA-N 2 0 182.311 1.457 10 0 ADAERP Cc1ccc([C@@H]([NH3+])[C@H](C)C[NH3+])c(C)c1 259201470 573818076 /nfs/dbraw/zinc/81/80/76/573818076.db2.gz GBJRGZRCRMLKDV-PWSUYJOCSA-N 2 0 192.306 1.898 10 0 ADAERP C[C@@H](C[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 257883495 573818098 /nfs/dbraw/zinc/81/80/98/573818098.db2.gz VWSHKDOPAGHMNU-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](C)C[C@@H]1CCCC[C@@H]1C[NH3+] 84302895 573818111 /nfs/dbraw/zinc/81/81/11/573818111.db2.gz ICXYFTHLZUKPNF-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP CC[NH2+]C[C@@H]1C[C@@H]1[C@H]1CCC[N@H+](C)C1 308447871 573818180 /nfs/dbraw/zinc/81/81/80/573818180.db2.gz ANJGMLOOADHBAU-SDDRHHMPSA-N 2 0 196.338 1.574 10 0 ADAERP CC[NH+]1CCC(CC2([NH3+])CCC2)CC1 257885503 573818206 /nfs/dbraw/zinc/81/82/06/573818206.db2.gz BXFRLMHNRBHIHE-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@H](C[NH3+])CCC[NH2+]Cc1ccco1 131198783 573818210 /nfs/dbraw/zinc/81/82/10/573818210.db2.gz TVZOMZNWZCTXRC-JTQLQIEISA-N 2 0 196.294 1.744 10 0 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GHXMTBGXYSQDET-SNVBAGLBSA-N 2 0 184.327 1.879 10 0 ADAERP C1CC[C@@H](CC[NH2+]CC2CCC2)[NH2+]C1 258961879 573832839 /nfs/dbraw/zinc/83/28/39/573832839.db2.gz JMMMZOJSNDJEPF-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP CC[NH2+]C[C@@H]1CCCCC[C@H]1[NH3+] 87222568 573832916 /nfs/dbraw/zinc/83/29/16/573832916.db2.gz RSDOINFKLNXZMS-VHSXEESVSA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@H](C[NH3+])C[NH2+]Cc1cc[nH]c1 258965054 573832920 /nfs/dbraw/zinc/83/29/20/573832920.db2.gz KTIMRBZOFYIEJD-SECBINFHSA-N 2 0 181.283 1.089 10 0 ADAERP CCC(CC)N(C)[C@@H](C)C(N)=[NH2+] 43528545 573832967 /nfs/dbraw/zinc/83/29/67/573832967.db2.gz VSQFKHJDSJDHGJ-ZETCQYMHSA-N 2 0 171.288 1.431 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]Cc1cc[nH]c1 258965056 573833027 /nfs/dbraw/zinc/83/30/27/573833027.db2.gz KTIMRBZOFYIEJD-VIFPVBQESA-N 2 0 181.283 1.089 10 0 ADAERP CC(C)(C)c1c[nH]c(C(C)(C)C[NH3+])n1 259206415 573833305 /nfs/dbraw/zinc/83/33/05/573833305.db2.gz YCQWZHPRYSYUBO-UHFFFAOYSA-N 2 0 195.310 1.944 10 0 ADAERP 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CC[C@H]([NH2+]C)[C@H](C)N(C)C1CC1 43822578 573872044 /nfs/dbraw/zinc/87/20/44/573872044.db2.gz LNRGVRMWZVQGCR-WPRPVWTQSA-N 2 0 170.300 1.467 10 0 ADAERP C[NH2+][C@H]1CCC[C@H]1N(C)CC1CC1 43905142 573871900 /nfs/dbraw/zinc/87/19/00/573871900.db2.gz PCLWWALYNGXIKB-WDEREUQCSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@H]([NH2+]C)[C@@H](C)N(C)CC1CC1 43905192 573873082 /nfs/dbraw/zinc/87/30/82/573873082.db2.gz YLYXNYVTEHPPGZ-KOLCDFICSA-N 2 0 184.327 1.715 10 0 ADAERP CCCN(C)[C@H](C)[C@@H](C)[NH2+]CC 43886236 573873113 /nfs/dbraw/zinc/87/31/13/573873113.db2.gz SZUAUAOTUYJJDR-NXEZZACHSA-N 2 0 172.316 1.715 10 0 ADAERP CCCCN(C[C@@H](C)[NH2+]C)C1CC1 43968076 573873140 /nfs/dbraw/zinc/87/31/40/573873140.db2.gz PFLQIQPAHIGGBI-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC(C)[NH2+]CCCC[NH2+]CCCF 393567496 573873232 /nfs/dbraw/zinc/87/32/32/573873232.db2.gz VXTSQJOUTAUEGG-UHFFFAOYSA-N 2 0 190.306 1.714 10 0 ADAERP Cc1[nH+]c(N)ccc1C1CC[NH2+]CC1 238550176 573873267 /nfs/dbraw/zinc/87/32/67/573873267.db2.gz 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[NH3+]C1(CC[C@@H]2CC[NH2+]C2)CCCC1 258171293 573877057 /nfs/dbraw/zinc/87/70/57/573877057.db2.gz XMCQMZYBZUDHNF-SNVBAGLBSA-N 2 0 182.311 1.648 10 0 ADAERP Cc1nc(N)ccc1[C@H]1CCC[NH2+]C1 238551473 573877058 /nfs/dbraw/zinc/87/70/58/573877058.db2.gz MRALSRIWSHLFNH-VIFPVBQESA-N 2 0 191.278 1.439 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@@H]1CCCC[NH2+]1 259578916 573876636 /nfs/dbraw/zinc/87/66/36/573876636.db2.gz XDHUPERUZDUVFN-WDEREUQCSA-N 2 0 184.327 1.763 10 0 ADAERP CC[C@@H](C[NH3+])C[NH2+]CCC(C)(C)C 258983180 573876696 /nfs/dbraw/zinc/87/66/96/573876696.db2.gz MHVILCRHDNIPRF-JTQLQIEISA-N 2 0 186.343 1.997 10 0 ADAERP Cc1[nH+]c(N)ccc1[C@@H]1CC[C@H]([NH3+])C1 238551081 573876814 /nfs/dbraw/zinc/87/68/14/573876814.db2.gz HYTHLVRAOAYQLQ-BDAKNGLRSA-N 2 0 191.278 1.567 10 0 ADAERP C[NH2+][C@H](C(C)(C)C)C1(C[NH3+])CCC1 259217723 573876910 /nfs/dbraw/zinc/87/69/10/573876910.db2.gz GASGERIWAARMBF-SECBINFHSA-N 2 0 184.327 1.750 10 0 ADAERP C[N@@H+]1CCC=C(CC[NH2+]C2CC2)C1 257895455 573876934 /nfs/dbraw/zinc/87/69/34/573876934.db2.gz AABDDAGEGYSSDX-UHFFFAOYSA-N 2 0 180.295 1.390 10 0 ADAERP CC(C)[N@@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259218257 573876941 /nfs/dbraw/zinc/87/69/41/573876941.db2.gz KEDIFLNBNGIFED-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)CC1(C)C 259218260 573879136 /nfs/dbraw/zinc/87/91/36/573879136.db2.gz KEGUHMIBEPVNRI-JTQLQIEISA-N 2 0 196.338 1.716 10 0 ADAERP [NH3+]C1CCC([NH2+]Cc2cnco2)CC1 84414910 573878778 /nfs/dbraw/zinc/87/87/78/573878778.db2.gz OGACKINUAPQDIU-UHFFFAOYSA-N 2 0 195.266 1.034 10 0 ADAERP C[NH2+][C@H](CC(C)C)[C@H]1CCCC[NH2+]1 259578912 573879159 /nfs/dbraw/zinc/87/91/59/573879159.db2.gz XDHUPERUZDUVFN-GHMZBOCLSA-N 2 0 184.327 1.763 10 0 ADAERP C[NH2+][C@@H](CC(C)C)[C@@H]1CCCC[NH2+]1 259578915 573878840 /nfs/dbraw/zinc/87/88/40/573878840.db2.gz XDHUPERUZDUVFN-QWRGUYRKSA-N 2 0 184.327 1.763 10 0 ADAERP [NH3+]CCC12CCCC[NH+]1CCCC2 238553381 573879043 /nfs/dbraw/zinc/87/90/43/573879043.db2.gz 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182.311 1.313 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C(C)(C)CC[NH3+])o1 259224794 573897624 /nfs/dbraw/zinc/89/76/24/573897624.db2.gz HBFGRESVIWPNTK-SNVBAGLBSA-N 2 0 196.294 1.963 10 0 ADAERP C[NH2+][C@@H](CC(C)C)[C@@H](C[NH3+])C(C)C 259224829 573899579 /nfs/dbraw/zinc/89/95/79/573899579.db2.gz MHHXGNMXBXNKDE-QWRGUYRKSA-N 2 0 186.343 1.851 10 0 ADAERP C[N@@H+]1CC[C@H](CC2(C[NH3+])CC2)C1 259224163 573899445 /nfs/dbraw/zinc/89/94/45/573899445.db2.gz UMVDKUJLZRRMSM-SECBINFHSA-N 2 0 168.284 1.067 10 0 ADAERP CC[C@@]1(C2CC[NH2+]CC2)CCCC[NH2+]1 258175158 573899478 /nfs/dbraw/zinc/89/94/78/573899478.db2.gz LTEVRPVMBPPCJX-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP C[NH2+][C@@H](C)C1=CC[N@@H+](C(C)C)CC1 258175710 573899839 /nfs/dbraw/zinc/89/98/39/573899839.db2.gz SLHRXINDBWDMRS-JTQLQIEISA-N 2 0 182.311 1.635 10 0 ADAERP C[NH2+][C@@H](CC(C)C)C[C@@H](C)C[NH3+] 259225176 573901795 /nfs/dbraw/zinc/90/17/95/573901795.db2.gz GGHVBBPDVXDDIL-ZJUUUORDSA-N 2 0 172.316 1.605 10 0 ADAERP 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CC(C)[C@@H]1C[C@@H]([NH3+])C[C@@H]2CCC[N@@H+]21 238186700 573921748 /nfs/dbraw/zinc/92/17/48/573921748.db2.gz QBXVELHNVWFIRX-DCAQKATOSA-N 2 0 182.311 1.597 10 0 ADAERP NC[C@@H]1C2CC(C2)[N@@H+]1C1CCCCC1 257900384 573923368 /nfs/dbraw/zinc/92/33/68/573923368.db2.gz YRADMZKXBLEESM-QEWOUOOISA-N 2 0 194.322 1.741 10 0 ADAERP CC(C)[NH2+]C[C@]1(F)CC[C@H]([NH3+])C1 257901400 573923128 /nfs/dbraw/zinc/92/31/28/573923128.db2.gz OXPLFFVTUVKYLG-IUCAKERBSA-N 2 0 174.263 1.204 10 0 ADAERP [NH3+]CC/C=C\[C@H]1CCCC[NH2+]1 258182555 573923149 /nfs/dbraw/zinc/92/31/49/573923149.db2.gz MBCXZGXLPKHWER-RKANRPJGSA-N 2 0 154.257 1.034 10 0 ADAERP CCCC[NH2+]CC[C@H]1CCC[NH2+]1 42172324 573923278 /nfs/dbraw/zinc/92/32/78/573923278.db2.gz YYRKGAXWHUAWLL-SNVBAGLBSA-N 2 0 170.300 1.518 10 0 ADAERP CC(C)[NH2+]C[C@@]1(F)CC[C@H]([NH3+])C1 257901398 573923295 /nfs/dbraw/zinc/92/32/95/573923295.db2.gz OXPLFFVTUVKYLG-DTWKUNHWSA-N 2 0 174.263 1.204 10 0 ADAERP CC(C)(C)C1C[NH+](CC2(C[NH3+])CC2)C1 308463944 573925133 /nfs/dbraw/zinc/92/51/33/573925133.db2.gz FBRZUMSKOXWAHC-UHFFFAOYSA-N 2 0 196.338 1.703 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@@H](C)C[NH3+] 259240955 573926075 /nfs/dbraw/zinc/92/60/75/573926075.db2.gz FYXPMKLNUGFMDC-WCBMZHEXSA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CCCCC[NH2+]1 81003230 573924336 /nfs/dbraw/zinc/92/43/36/573924336.db2.gz WVBQPLCBNBXORH-JTQLQIEISA-N 2 0 184.327 1.907 10 0 ADAERP [NH3+]CCCc1[nH+]cc2cc(F)ccn12 257900546 573924434 /nfs/dbraw/zinc/92/44/34/573924434.db2.gz YSKFLCJAUSMAEF-UHFFFAOYSA-N 2 0 193.225 1.365 10 0 ADAERP CC(C)[NH2+]C[C@@]1(F)CC[C@@H]([NH3+])C1 257901402 573924552 /nfs/dbraw/zinc/92/45/52/573924552.db2.gz OXPLFFVTUVKYLG-RKDXNWHRSA-N 2 0 174.263 1.204 10 0 ADAERP C[N@@H+]1CC[C@@H](c2csc(C[NH3+])n2)C1 258182465 573924784 /nfs/dbraw/zinc/92/47/84/573924784.db2.gz VFVVBFWSWWTBPZ-SSDOTTSWSA-N 2 0 197.307 1.021 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]1 42172271 573924819 /nfs/dbraw/zinc/92/48/19/573924819.db2.gz GDGBMYURXFQGLY-ZJUUUORDSA-N 2 0 170.300 1.517 10 0 ADAERP CCCC[NH2+]CC[C@@H]1CCC[NH2+]1 42172322 573924832 /nfs/dbraw/zinc/92/48/32/573924832.db2.gz YYRKGAXWHUAWLL-JTQLQIEISA-N 2 0 170.300 1.518 10 0 ADAERP C[NH2+][C@H](CC[C@@H](C)[NH3+])c1cccnc1 259240923 573926324 /nfs/dbraw/zinc/92/63/24/573926324.db2.gz GVVDJBWIUQKGGG-MWLCHTKSSA-N 2 0 193.294 1.470 10 0 ADAERP C1CC[NH2+][C@@H](C[NH2+]C2CCC2)CC1 81038760 573926326 /nfs/dbraw/zinc/92/63/26/573926326.db2.gz OPAJZWCWDPXTBL-LLVKDONJSA-N 2 0 182.311 1.661 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@@H](C)C[NH3+] 259240958 573925664 /nfs/dbraw/zinc/92/56/64/573925664.db2.gz FYXPMKLNUGFMDC-WPRPVWTQSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 42172280 573925710 /nfs/dbraw/zinc/92/57/10/573925710.db2.gz GDGBMYURXFQGLY-VHSXEESVSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)(C[NH3+])[C@H]([NH3+])c1ccncc1 259583215 573925740 /nfs/dbraw/zinc/92/57/40/573925740.db2.gz ZGWLGPNDPJWMIF-SECBINFHSA-N 2 0 179.267 1.066 10 0 ADAERP CC1(C)CC(C)(C)[NH2+]CC[NH2+]1 238187538 573925754 /nfs/dbraw/zinc/92/57/54/573925754.db2.gz TZXKIADCTWNEKG-UHFFFAOYSA-N 2 0 156.273 1.127 10 0 ADAERP CC(C)C[NH2+]CC[C@@H]1CCC[NH2+]1 42172289 573925794 /nfs/dbraw/zinc/92/57/94/573925794.db2.gz IUCTUAPPJWOVLE-JTQLQIEISA-N 2 0 170.300 1.374 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@H](C)C[NH3+] 259240950 573925807 /nfs/dbraw/zinc/92/58/07/573925807.db2.gz FYXPMKLNUGFMDC-PSASIEDQSA-N 2 0 170.300 1.359 10 0 ADAERP C[C@H](CC[NH3+])C[N@H+](C)Cc1ccc[nH]1 259012766 573925885 /nfs/dbraw/zinc/92/58/85/573925885.db2.gz XUQHMCTVIIYHDT-SNVBAGLBSA-N 2 0 195.310 1.431 10 0 ADAERP C[NH2+]CC1([C@H]([NH2+]C)C(C)(C)C)CC1 259240974 573925922 /nfs/dbraw/zinc/92/59/22/573925922.db2.gz GWAWNVVJLFCQRT-SECBINFHSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)[C@H](C)C[NH+]1CCC([NH3+])CC1 81065389 573926192 /nfs/dbraw/zinc/92/61/92/573926192.db2.gz HQCQLTSCTQKSJR-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP C[C@@H](CCC[NH3+])[NH+]1CC2(CCCC2)C1 308464391 573926199 /nfs/dbraw/zinc/92/61/99/573926199.db2.gz GPQJYTWEFZCSMP-NSHDSACASA-N 2 0 196.338 1.990 10 0 ADAERP CC[NH2+]CCCC[C@H](C)[NH3+] 123077728 573926232 /nfs/dbraw/zinc/92/62/32/573926232.db2.gz NOFDKHXIEWANDG-QMMMGPOBSA-N 2 0 144.262 1.113 10 0 ADAERP CC(C)[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 81065362 573927208 /nfs/dbraw/zinc/92/72/08/573927208.db2.gz SHJCCAYQPZQPHZ-UTUOFQBUSA-N 2 0 198.354 1.948 10 0 ADAERP CCC(CC)C[NH2+]C[C@H](C)[C@H](C)[NH3+] 130422015 573927215 /nfs/dbraw/zinc/92/72/15/573927215.db2.gz BTTHDVPAWUZGQT-UWVGGRQHSA-N 2 0 186.343 1.996 10 0 ADAERP CCC(CC)C[NH2+]C[C@@H](C)[C@H](C)[NH3+] 130421813 573927377 /nfs/dbraw/zinc/92/73/77/573927377.db2.gz BTTHDVPAWUZGQT-ZJUUUORDSA-N 2 0 186.343 1.996 10 0 ADAERP C[NH+](C)CC1(F)CCC([NH3+])CC1 257901447 573927465 /nfs/dbraw/zinc/92/74/65/573927465.db2.gz OYUNYAJYQCKWOE-UHFFFAOYSA-N 2 0 174.263 1.158 10 0 ADAERP CC(C)[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1(C)C 238199682 573927478 /nfs/dbraw/zinc/92/74/78/573927478.db2.gz NYKCCFKGSUCJPT-MNOVXSKESA-N 2 0 196.338 1.857 10 0 ADAERP CC(C)[N@@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1(C)C 238199742 573927516 /nfs/dbraw/zinc/92/75/16/573927516.db2.gz KUSSCWBRHIJYFB-MNOVXSKESA-N 2 0 196.338 1.715 10 0 ADAERP C[NH2+]CCCCC1=CCC[NH2+]C1 258182574 573927588 /nfs/dbraw/zinc/92/75/88/573927588.db2.gz SUDIYEUCOXZPAT-UHFFFAOYSA-N 2 0 168.284 1.296 10 0 ADAERP C[NH2+][C@H](CC[C@H](C)[NH3+])c1cccnc1 259240916 573927671 /nfs/dbraw/zinc/92/76/71/573927671.db2.gz GVVDJBWIUQKGGG-GXSJLCMTSA-N 2 0 193.294 1.470 10 0 ADAERP C[NH2+][C@@H](C1CCC1)C1CCC([NH3+])CC1 259240901 573927756 /nfs/dbraw/zinc/92/77/56/573927756.db2.gz GVMRHOWGKWQKCE-MCIGGMRASA-N 2 0 196.338 1.892 10 0 ADAERP CC[NH2+]C[C@@H]1CCCCC[NH2+]1 81038168 573927882 /nfs/dbraw/zinc/92/78/82/573927882.db2.gz QSIRKQCMRHPCGQ-VIFPVBQESA-N 2 0 156.273 1.128 10 0 ADAERP C[NH2+][C@H](C1CCC1)C1CCC([NH3+])CC1 259240899 573927892 /nfs/dbraw/zinc/92/78/92/573927892.db2.gz GVMRHOWGKWQKCE-HTAVTVPLSA-N 2 0 196.338 1.892 10 0 ADAERP CC[NH2+]C[C@H]1CCCCC[NH2+]1 81038170 573927945 /nfs/dbraw/zinc/92/79/45/573927945.db2.gz QSIRKQCMRHPCGQ-SECBINFHSA-N 2 0 156.273 1.128 10 0 ADAERP C[NH2+]CC/C=C(\C)c1c[nH+]ccc1N 211768237 573928030 /nfs/dbraw/zinc/92/80/30/573928030.db2.gz QZZJRGADJDVOJP-RUDMXATFSA-N 2 0 191.278 1.677 10 0 ADAERP C[NH2+][C@H](C1CCCCC1)[C@H](C)[NH3+] 259240633 573928280 /nfs/dbraw/zinc/92/82/80/573928280.db2.gz FWNWZEOMGPTFFI-WPRPVWTQSA-N 2 0 170.300 1.502 10 0 ADAERP CC1(C)CC[N@@H+](C2CC2)C[C@@H]1C[NH3+] 259240947 573928643 /nfs/dbraw/zinc/92/86/43/573928643.db2.gz LQCHWBGHPSGPHY-VIFPVBQESA-N 2 0 182.311 1.456 10 0 ADAERP C1CC[NH2+][C@H](C[NH2+]C2CCC2)CC1 81038762 573928698 /nfs/dbraw/zinc/92/86/98/573928698.db2.gz OPAJZWCWDPXTBL-NSHDSACASA-N 2 0 182.311 1.661 10 0 ADAERP CC1(C)CC[N@@H+](C2CC2)C[C@H]1C[NH3+] 259240944 573928866 /nfs/dbraw/zinc/92/88/66/573928866.db2.gz LQCHWBGHPSGPHY-SECBINFHSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@]1(C[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258182741 573929122 /nfs/dbraw/zinc/92/91/22/573929122.db2.gz MCYKZPRHNDDMQK-QWRGUYRKSA-N 2 0 182.311 1.661 10 0 ADAERP CC[NH2+]CC(C)(C)[C@H]1CC[N@H+](C)C1 259014943 573929168 /nfs/dbraw/zinc/92/91/68/573929168.db2.gz GOUNZEPMYAEQMF-JTQLQIEISA-N 2 0 184.327 1.574 10 0 ADAERP CC1(C[NH2+]C[C@@H]([NH3+])CC2CC2)CCC1 308464512 573929498 /nfs/dbraw/zinc/92/94/98/573929498.db2.gz HGWJXADWMASBLL-NSHDSACASA-N 2 0 196.338 1.894 10 0 ADAERP C[C@]1(C[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 258182744 573929506 /nfs/dbraw/zinc/92/95/06/573929506.db2.gz MCYKZPRHNDDMQK-WDEREUQCSA-N 2 0 182.311 1.661 10 0 ADAERP C[NH2+][C@@H](C1CCCCC1)[C@H](C)[NH3+] 259240631 573929520 /nfs/dbraw/zinc/92/95/20/573929520.db2.gz FWNWZEOMGPTFFI-WCBMZHEXSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@]1(C[C@H]2CCCC[NH2+]2)CCC[NH2+]1 258182739 573929632 /nfs/dbraw/zinc/92/96/32/573929632.db2.gz MCYKZPRHNDDMQK-MNOVXSKESA-N 2 0 182.311 1.661 10 0 ADAERP C[NH2+][C@@H](CC[C@H](C)[NH3+])c1cccnc1 259240925 573929689 /nfs/dbraw/zinc/92/96/89/573929689.db2.gz GVVDJBWIUQKGGG-ONGXEEELSA-N 2 0 193.294 1.470 10 0 ADAERP C[NH2+][C@H](C1CCCC1)[C@H](C)C[NH3+] 259240954 573929831 /nfs/dbraw/zinc/92/98/31/573929831.db2.gz FYXPMKLNUGFMDC-SCZZXKLOSA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]2[C@@H]1C 238199283 573931006 /nfs/dbraw/zinc/93/10/06/573931006.db2.gz NSNCPDMSPYNVGN-GARJFASQSA-N 2 0 182.311 1.325 10 0 ADAERP CC(C)[C@H](C1CC([NH3+])C1)[NH+](C)C 259243591 573931070 /nfs/dbraw/zinc/93/10/70/573931070.db2.gz BFZVBIHIPQFCLK-UDNWOFFPSA-N 2 0 170.300 1.310 10 0 ADAERP C[NH2+]CC/C=C\Cc1c[nH+]ccc1N 211600101 573931085 /nfs/dbraw/zinc/93/10/85/573931085.db2.gz HJSDGWAQKVZLKG-IHWYPQMZSA-N 2 0 191.278 1.372 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C(C)C)C1(C)C 259190534 573931229 /nfs/dbraw/zinc/93/12/29/573931229.db2.gz BOQAYLICMMUWQE-SECBINFHSA-N 2 0 170.300 1.467 10 0 ADAERP C[C@H]1C[C@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 235670862 573931317 /nfs/dbraw/zinc/93/13/17/573931317.db2.gz OEDPTXPMGHZVOQ-USZNOCQGSA-N 2 0 196.338 1.572 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573936101 /nfs/dbraw/zinc/93/61/01/573936101.db2.gz KTXUKHRFOLCWGL-ZYHUDNBSSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H](CC(C)(C)[NH3+])[NH+](C)C 259243485 573934712 /nfs/dbraw/zinc/93/47/12/573934712.db2.gz BFULIQOYPMBROW-MRVPVSSYSA-N 2 0 158.289 1.454 10 0 ADAERP CC(C)[C@H](C)N(C)[C@@H]1C[NH2+]C[C@H]1C 123111123 573934672 /nfs/dbraw/zinc/93/46/72/573934672.db2.gz DSVFJGMSIJYIEY-OUAUKWLOSA-N 2 0 184.327 1.571 10 0 ADAERP C[NH2+]C[C@H](C[NH3+])Cc1cccs1 258462419 573934813 /nfs/dbraw/zinc/93/48/13/573934813.db2.gz XXIODJNCHJFNDT-QMMMGPOBSA-N 2 0 184.308 1.085 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259586492 573934965 /nfs/dbraw/zinc/93/49/65/573934965.db2.gz ZQXVZEZNTHTZFJ-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP Cc1cccc([C@@H]([NH3+])C[C@H](C)[NH3+])c1 259244228 573935201 /nfs/dbraw/zinc/93/52/01/573935201.db2.gz HXFGNINIPSKQDU-ONGXEEELSA-N 2 0 178.279 1.732 10 0 ADAERP CC[C@H](C[C@@H](C)[NH3+])Nc1[nH+]ccn1C 716862777 573935216 /nfs/dbraw/zinc/93/52/16/573935216.db2.gz 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CC(C)[NH2+]CCC[NH2+][C@@H]1CC1(C)C 45137972 573954216 /nfs/dbraw/zinc/95/42/16/573954216.db2.gz DILWUAWXOMCRQF-SNVBAGLBSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])[C@@H]1C 642825236 573954223 /nfs/dbraw/zinc/95/42/23/573954223.db2.gz USZVNRSADLUKKW-RKDXNWHRSA-N 2 0 170.300 1.312 10 0 ADAERP C[NH+](C)[C@H]1CCCC2(CC[NH2+]CC2)C1 715215904 573954255 /nfs/dbraw/zinc/95/42/55/573954255.db2.gz IEHHQQNJHFUSSW-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@@H](c1cccs1)[C@H](C)C[NH3+] 259250003 573954292 /nfs/dbraw/zinc/95/42/92/573954292.db2.gz GJJRFBRXPPDCDB-VXNVDRBHSA-N 2 0 184.308 1.603 10 0 ADAERP C[NH2+][C@@H](C)c1coc([C@H]2CC[NH2+]C2)n1 257910379 573954295 /nfs/dbraw/zinc/95/42/95/573954295.db2.gz CKRCABHDUIBBDY-YUMQZZPRSA-N 2 0 195.266 1.032 10 0 ADAERP CCC1CC[NH+](C[C@H](C)C(N)=[NH2+])CC1 42446883 573954334 /nfs/dbraw/zinc/95/43/34/573954334.db2.gz WXRAOJZWJTXSFV-VIFPVBQESA-N 2 0 197.326 1.680 10 0 ADAERP CCC1CC[NH+](CC[C@@H](C)[NH3+])CC1 42446618 573954376 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DILWUAWXOMCRQF-JTQLQIEISA-N 2 0 184.327 1.763 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CC1(C)C 45135329 573956175 /nfs/dbraw/zinc/95/61/75/573956175.db2.gz YQWXYLFXBYRHQY-LPEHRKFASA-N 2 0 182.311 1.597 10 0 ADAERP [NH3+]C[C@]1([NH3+])CCC[C@H](C2CC2)C1 81640746 573956185 /nfs/dbraw/zinc/95/61/85/573956185.db2.gz USMIJIIONYFTLR-UWVGGRQHSA-N 2 0 168.284 1.243 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CCCC[NH3+] 45137740 573956210 /nfs/dbraw/zinc/95/62/10/573956210.db2.gz WZGJEJYVOHQNLP-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 45137811 573956247 /nfs/dbraw/zinc/95/62/47/573956247.db2.gz KOKUSBCBCUMWJJ-NXEZZACHSA-N 2 0 182.311 1.517 10 0 ADAERP CC[C@H]([NH3+])CCNCc1ccc(C)o1 127876702 573956301 /nfs/dbraw/zinc/95/63/01/573956301.db2.gz STHJHXJKTRXBBD-JTQLQIEISA-N 2 0 196.294 1.805 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CCCC[NH3+] 45137738 573956336 /nfs/dbraw/zinc/95/63/36/573956336.db2.gz WZGJEJYVOHQNLP-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP 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172.316 1.574 10 0 ADAERP CC[C@H](CC[NH3+])[N@H+](CC)CCOC 42492063 573959706 /nfs/dbraw/zinc/95/97/06/573959706.db2.gz OAYUWYGQGZNHHY-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP CC(C)[NH2+]C[C@H](C)N(C)C1CCC1 127883723 573959762 /nfs/dbraw/zinc/95/97/62/573959762.db2.gz KDVWSDNITDKYEM-JTQLQIEISA-N 2 0 184.327 1.857 10 0 ADAERP [NH3+]CCCC[NH2+]CC1(C2CC2)CCC1 393600244 573960061 /nfs/dbraw/zinc/96/00/61/573960061.db2.gz ADQJZZNCBDFJGV-UHFFFAOYSA-N 2 0 196.338 1.895 10 0 ADAERP [NH3+]C[C@@H](CC1CC1)C[NH+]1CCCCC1 404840829 573960173 /nfs/dbraw/zinc/96/01/73/573960173.db2.gz KYQVAQSEPKVOKQ-GFCCVEGCSA-N 2 0 196.338 1.847 10 0 ADAERP CC[C@@H]([NH3+])CCNCc1ccc(C)o1 127876908 573960295 /nfs/dbraw/zinc/96/02/95/573960295.db2.gz STHJHXJKTRXBBD-SNVBAGLBSA-N 2 0 196.294 1.805 10 0 ADAERP C[C@H](C[N@H+](C)CCC(C)(C)C)C(N)=[NH2+] 42459830 573962124 /nfs/dbraw/zinc/96/21/24/573962124.db2.gz MJSCBKWDIUMINY-SECBINFHSA-N 2 0 199.342 1.926 10 0 ADAERP CC1CC[NH+](C/C=C/C[NH3+])CC1 85054731 573960329 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196.338 1.559 10 0 ADAERP CC[C@]1(CC[C@H]2CC[NH2+]C2)CCC[NH2+]1 258199714 574006081 /nfs/dbraw/zinc/00/60/81/574006081.db2.gz NFZOFQVPIISPHC-NWDGAFQWSA-N 2 0 196.338 1.908 10 0 ADAERP [NH3+]Cc1ccc(C2([NH3+])CC2)cc1 104485989 574006129 /nfs/dbraw/zinc/00/61/29/574006129.db2.gz XBWLISAZXHYLPF-UHFFFAOYSA-N 2 0 162.236 1.093 10 0 ADAERP CCC[C@H]1[C@@H]([NH3+])CCC[N@@H+]1C 238239883 574006188 /nfs/dbraw/zinc/00/61/88/574006188.db2.gz AVWUKWOGABVEPK-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP c1cc(NC[C@@H]2CC[NH2+]C2)cc[nH+]1 87655393 574006212 /nfs/dbraw/zinc/00/62/12/574006212.db2.gz HTDUNWRZJFTKSL-SECBINFHSA-N 2 0 177.251 1.103 10 0 ADAERP CCC[C@@H](C[NH2+]C(C)C)[NH2+]C 259270742 574006216 /nfs/dbraw/zinc/00/62/16/574006216.db2.gz HZUGMDIJYCILJL-VIFPVBQESA-N 2 0 158.289 1.373 10 0 ADAERP [NH3+]C[C@@H]1C[C@H]1C[NH+]1CCCCCCC1 715115130 574006221 /nfs/dbraw/zinc/00/62/21/574006221.db2.gz OMSVVTRDHKAIBZ-RYUDHWBXSA-N 2 0 196.338 1.847 10 0 ADAERP C[NH2+]C[C@@H](C[C@@H]1CC[N@H+](C)C1)C(C)C 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/nfs/dbraw/zinc/00/66/12/574006612.db2.gz HYWVLRYPCUMDIY-WDEREUQCSA-N 2 0 182.311 1.374 10 0 ADAERP C[NH2+]C(C)(C)[C@@H]([NH3+])C1CCCCC1 259271468 574009045 /nfs/dbraw/zinc/00/90/45/574009045.db2.gz IXTJLLAUTJPEED-JTQLQIEISA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](CC2([NH3+])CCC2)C1 258204589 574008925 /nfs/dbraw/zinc/00/89/25/574008925.db2.gz ZLBSVLBIHJVZMG-LLVKDONJSA-N 2 0 196.338 1.988 10 0 ADAERP CC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238247319 574010172 /nfs/dbraw/zinc/01/01/72/574010172.db2.gz ZVFKPBSZXZYDIX-CIUDSAMLSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)C[C@H]([NH3+])CCC[NH3+] 259271458 574010298 /nfs/dbraw/zinc/01/02/98/574010298.db2.gz IXPPOLVBFHKRBL-MRVPVSSYSA-N 2 0 144.262 1.099 10 0 ADAERP CC[N@@H+]1C[C@@H](C[NH2+]C)CCC1(C)C 259272142 574010344 /nfs/dbraw/zinc/01/03/44/574010344.db2.gz GCKKOZOAAQLPSC-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP C[N@@H+](Cc1ccco1)C[C@@H]1C[C@@H]1C[NH3+] 715117021 574010542 /nfs/dbraw/zinc/01/05/42/574010542.db2.gz YPVQWLZEQCOCDH-ZJUUUORDSA-N 2 0 194.278 1.306 10 0 ADAERP CC(C)C[C@@H]([NH3+])CCC[NH3+] 259271459 574010593 /nfs/dbraw/zinc/01/05/93/574010593.db2.gz IXPPOLVBFHKRBL-QMMMGPOBSA-N 2 0 144.262 1.099 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH2+]CC2CCCC2)C1 48732712 574010668 /nfs/dbraw/zinc/01/06/68/574010668.db2.gz FDKRWMFFQVONMH-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP CCC[N@@H+]1CCC(C)(C)[C@H](C[NH2+]C)C1 259272146 574011567 /nfs/dbraw/zinc/01/15/67/574011567.db2.gz NSTLTAQTNXUGRW-LLVKDONJSA-N 2 0 198.354 1.964 10 0 ADAERP [NH3+]C[C@H](C[NH+]1CCCC1)C1CCCC1 258465970 574012491 /nfs/dbraw/zinc/01/24/91/574012491.db2.gz YCLPVAKRWZVKAH-GFCCVEGCSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CC/C=C1/CC[N@@H+]2CCC[C@H]12 123398737 574012508 /nfs/dbraw/zinc/01/25/08/574012508.db2.gz YCIPTKFBKFAJGY-KSXVILFYSA-N 2 0 166.268 1.130 10 0 ADAERP CCC[NH+]1C[C@H]2C[NH+](C3CC3)C[C@@H]2C1 585382259 574012760 /nfs/dbraw/zinc/01/27/60/574012760.db2.gz KWYHYKBEBJYERC-QWRGUYRKSA-N 2 0 194.322 1.422 10 0 ADAERP C[NH+]1C[C@H]2C[NH+](C3CCCC3)C[C@@H]2C1 585382924 574013573 /nfs/dbraw/zinc/01/35/73/574013573.db2.gz WBYTWQKHSMIHSF-QWRGUYRKSA-N 2 0 194.322 1.422 10 0 ADAERP Cc1c(F)cc(F)cc1[C@@H](N)C[NH3+] 104495629 574013639 /nfs/dbraw/zinc/01/36/39/574013639.db2.gz CSLNDOSYTAFGCQ-VIFPVBQESA-N 2 0 186.205 1.232 10 0 ADAERP C1C[C@@H]2[N@H+](C1)CCC21CC[NH2+]CC1 123392788 574013749 /nfs/dbraw/zinc/01/37/49/574013749.db2.gz HFVZUBDQSVECCA-JTQLQIEISA-N 2 0 180.295 1.224 10 0 ADAERP CCC[NH+]1C[C@@H]2C[NH+](C3CC3)C[C@H]2C1 585382257 574013838 /nfs/dbraw/zinc/01/38/38/574013838.db2.gz KWYHYKBEBJYERC-GHMZBOCLSA-N 2 0 194.322 1.422 10 0 ADAERP C1C[C@H]2[N@H+](C1)CCC21CC[NH2+]CC1 123392580 574013919 /nfs/dbraw/zinc/01/39/19/574013919.db2.gz HFVZUBDQSVECCA-SNVBAGLBSA-N 2 0 180.295 1.224 10 0 ADAERP CCc1cc(Cl)ccc1[C@H](N)C[NH3+] 104495239 574014041 /nfs/dbraw/zinc/01/40/41/574014041.db2.gz JFTAVDVVLHKFOV-SNVBAGLBSA-N 2 0 198.697 1.861 10 0 ADAERP C[C@@H]([NH3+])CC[C@@H](c1ccc[nH]1)[NH+](C)C 259274131 574017246 /nfs/dbraw/zinc/01/72/46/574017246.db2.gz CCAJNZMBDORKAF-KOLCDFICSA-N 2 0 195.310 1.745 10 0 ADAERP [NH3+]C1(c2ccc(C3([NH3+])CC3)cc2)CC1 104499277 574015153 /nfs/dbraw/zinc/01/51/53/574015153.db2.gz KVYIMHRGPPKHES-UHFFFAOYSA-N 2 0 188.274 1.582 10 0 ADAERP CC(C)[NH+]1C[C@@H]2C[NH+](C3CC3)C[C@H]2C1 585382035 574015687 /nfs/dbraw/zinc/01/56/87/574015687.db2.gz GRWSDHQXPHYPQO-GHMZBOCLSA-N 2 0 194.322 1.421 10 0 ADAERP CC[N@@H+]1C[C@@H](C[NH3+])CCC1(C)C 259275039 574017091 /nfs/dbraw/zinc/01/70/91/574017091.db2.gz GHDUUUFOMUSTBC-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH2+][C@@H](c1cccnc1)C1CC([NH3+])C1 259273399 574017419 /nfs/dbraw/zinc/01/74/19/574017419.db2.gz IBSKDMKWNNDQPJ-ILDUYXDCSA-N 2 0 191.278 1.079 10 0 ADAERP CC(C)C[NH+]1C[C@H]2C[NH+](C)C[C@@H]2C1 585382955 574017525 /nfs/dbraw/zinc/01/75/25/574017525.db2.gz WLEPGEBDHUCCAG-GHMZBOCLSA-N 2 0 182.311 1.136 10 0 ADAERP CCC[C@@H]([NH3+])c1cc(N)ccn1 104506485 574019262 /nfs/dbraw/zinc/01/92/62/574019262.db2.gz MYPYLMFZIIFTFO-MRVPVSSYSA-N 2 0 165.240 1.464 10 0 ADAERP [NH3+][C@H](C[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 259276348 574021233 /nfs/dbraw/zinc/02/12/33/574021233.db2.gz JBJLPJBDDIPZKY-VHSXEESVSA-N 2 0 193.294 1.404 10 0 ADAERP C[NH2+][C@@H](c1ccc(F)cc1)[C@H](C)C[NH3+] 259277129 574023458 /nfs/dbraw/zinc/02/34/58/574023458.db2.gz HHTDBGUASQSIJP-LDYMZIIASA-N 2 0 196.269 1.681 10 0 ADAERP CC[C@@H](C[NH2+]C)C[C@H]1CC[N@H+](C)C1 259279204 574023151 /nfs/dbraw/zinc/02/31/51/574023151.db2.gz JDSPSPHPHYWLGP-GHMZBOCLSA-N 2 0 184.327 1.574 10 0 ADAERP C[N@@H+]1CC[C@@H](CC[C@H]2CC[NH2+]C2)C1 259277444 574023192 /nfs/dbraw/zinc/02/31/92/574023192.db2.gz YQLFRAFEMXVZEQ-WDEREUQCSA-N 2 0 182.311 1.328 10 0 ADAERP CCC[C@@H]([NH3+])C(C)(C)[NH2+]C 259279227 574023276 /nfs/dbraw/zinc/02/32/76/574023276.db2.gz JDURLJBQKXWTLR-SSDOTTSWSA-N 2 0 144.262 1.112 10 0 ADAERP COC(=N)c1cccc(C[NH3+])c1 104523407 574024185 /nfs/dbraw/zinc/02/41/85/574024185.db2.gz PFCQOALPLAZWFP-UHFFFAOYSA-N 2 0 164.208 1.117 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])c1ccccc1F 259279201 574024392 /nfs/dbraw/zinc/02/43/92/574024392.db2.gz JDSDQPPFAALCGS-LDYMZIIASA-N 2 0 196.269 1.810 10 0 ADAERP C[C@@H](CC[NH3+])[C@@H]([NH3+])c1ccccc1F 259279194 574024405 /nfs/dbraw/zinc/02/44/05/574024405.db2.gz JDSDQPPFAALCGS-GZMMTYOYSA-N 2 0 196.269 1.810 10 0 ADAERP C[NH2+][C@@H](c1ccc(F)cc1)[C@@H](C)C[NH3+] 259277125 574024524 /nfs/dbraw/zinc/02/45/24/574024524.db2.gz HHTDBGUASQSIJP-GZMMTYOYSA-N 2 0 196.269 1.681 10 0 ADAERP CC[C@H](C[NH2+]C)C[C@H]1CC[N@H+](C)C1 259279212 574024557 /nfs/dbraw/zinc/02/45/57/574024557.db2.gz JDSPSPHPHYWLGP-WDEREUQCSA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H](C)CC(C)C 42590208 574024739 /nfs/dbraw/zinc/02/47/39/574024739.db2.gz NMRARWKMICMJJI-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC1(C)CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 87772841 574027483 /nfs/dbraw/zinc/02/74/83/574027483.db2.gz QMWOFRUUUWKOSX-LLVKDONJSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCC1 85283876 574027494 /nfs/dbraw/zinc/02/74/94/574027494.db2.gz VFOCPMPLHZVXNI-FXPVBKGRSA-N 2 0 180.295 1.079 10 0 ADAERP CCC(CC)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282193 574027507 /nfs/dbraw/zinc/02/75/07/574027507.db2.gz IARRNPRDLWKGGB-NXEZZACHSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC1CCC1 85285618 574027510 /nfs/dbraw/zinc/02/75/10/574027510.db2.gz DIQAWEUWAGYQOS-YUSALJHKSA-N 2 0 194.322 1.326 10 0 ADAERP C[NH2+]CCN(C)[C@@H](C)CC(C)C 42590185 574025762 /nfs/dbraw/zinc/02/57/62/574025762.db2.gz YPHWRMRDNLRHMP-JTQLQIEISA-N 2 0 172.316 1.572 10 0 ADAERP CC(C)[NH2+]CC[NH2+]C(C1CC1)C1CC1 49237967 574025766 /nfs/dbraw/zinc/02/57/66/574025766.db2.gz ACIBHTFANIKHEE-UHFFFAOYSA-N 2 0 196.338 1.763 10 0 ADAERP C[NH2+]CCN(C)[C@H](C)CC(C)C 42590183 574025908 /nfs/dbraw/zinc/02/59/08/574025908.db2.gz YPHWRMRDNLRHMP-SNVBAGLBSA-N 2 0 172.316 1.572 10 0 ADAERP CC(C)[NH2+]CCCS[C@@H](C)C[NH3+] 85301860 574028943 /nfs/dbraw/zinc/02/89/43/574028943.db2.gz NAWHBHWOBYPLQR-VIFPVBQESA-N 2 0 190.356 1.455 10 0 ADAERP CC(C)([NH3+])CS[C@H]1CCC[C@@H]1[NH3+] 87736366 574026254 /nfs/dbraw/zinc/02/62/54/574026254.db2.gz GBCIIVZJMAVUKY-YUMQZZPRSA-N 2 0 188.340 1.337 10 0 ADAERP C[C@@H]([NH3+])CC[C@H]([NH3+])c1cc[nH]c1 259279346 574026535 /nfs/dbraw/zinc/02/65/35/574026535.db2.gz JFIUEZZNWIITSO-APPZFPTMSA-N 2 0 167.256 1.142 10 0 ADAERP CC(C)([NH3+])CS[C@@H]1CCC[C@@H]1[NH3+] 87736365 574026659 /nfs/dbraw/zinc/02/66/59/574026659.db2.gz GBCIIVZJMAVUKY-JGVFFNPUSA-N 2 0 188.340 1.337 10 0 ADAERP CC[C@@H](C1CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282302 574026670 /nfs/dbraw/zinc/02/66/70/574026670.db2.gz REYPCTPRYXYIOH-TUAOUCFPSA-N 2 0 194.322 1.326 10 0 ADAERP CC(C)([NH3+])CS[C@H]1CCC[C@H]1[NH3+] 87736368 574026671 /nfs/dbraw/zinc/02/66/71/574026671.db2.gz GBCIIVZJMAVUKY-SFYZADRCSA-N 2 0 188.340 1.337 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(C)C 85286565 574026707 /nfs/dbraw/zinc/02/67/07/574026707.db2.gz UOEZDSQJXJBOJJ-IJLUTSLNSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCC1CC1 85286099 574026757 /nfs/dbraw/zinc/02/67/57/574026757.db2.gz QLVCZFSENJVYNA-JLLWLGSASA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC1CC1 85286694 574026859 /nfs/dbraw/zinc/02/68/59/574026859.db2.gz JOTULJZPJZBQGA-IJLUTSLNSA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283830 574026949 /nfs/dbraw/zinc/02/69/49/574026949.db2.gz BQJWSBNSXSJIAE-XWLWVQCSSA-N 2 0 182.311 1.325 10 0 ADAERP CC(C)(C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 85282149 574026972 /nfs/dbraw/zinc/02/69/72/574026972.db2.gz LEMYVSUPIRDLNN-UWVGGRQHSA-N 2 0 182.311 1.184 10 0 ADAERP CC(C)[C@H](C[NH+](C)C)N1CCCC1=[NH2+] 49217137 574026973 /nfs/dbraw/zinc/02/69/73/574026973.db2.gz NVJRDAJPIITWQU-JTQLQIEISA-N 2 0 197.326 1.646 10 0 ADAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC1CCC1 85285613 574026992 /nfs/dbraw/zinc/02/69/92/574026992.db2.gz DIQAWEUWAGYQOS-JLLWLGSASA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C(C)C 85286648 574026999 /nfs/dbraw/zinc/02/69/99/574026999.db2.gz RRXYXWYABMTPTN-OUAUKWLOSA-N 2 0 182.311 1.325 10 0 ADAERP C[N@H+](CCC(N)=[NH2+])CCC(C)(C)C 49254862 574027068 /nfs/dbraw/zinc/02/70/68/574027068.db2.gz LCNXVSBYPIYSPG-UHFFFAOYSA-N 2 0 185.315 1.680 10 0 ADAERP CC1(C)CC[C@H]([NH+]2CCC([NH3+])CC2)C1 87772840 574027109 /nfs/dbraw/zinc/02/71/09/574027109.db2.gz QMWOFRUUUWKOSX-NSHDSACASA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]([NH3+])CC[C@@H]([NH3+])c1cc[nH]c1 259279351 574027183 /nfs/dbraw/zinc/02/71/83/574027183.db2.gz JFIUEZZNWIITSO-VXNVDRBHSA-N 2 0 167.256 1.142 10 0 ADAERP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC1CC1 85286699 574027242 /nfs/dbraw/zinc/02/72/42/574027242.db2.gz JOTULJZPJZBQGA-GRYCIOLGSA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@@H](C)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282086 574027299 /nfs/dbraw/zinc/02/72/99/574027299.db2.gz OQUDHTHONLZOLZ-KXNHARMFSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282080 574027409 /nfs/dbraw/zinc/02/74/09/574027409.db2.gz YXJUJTGZHGIIFB-NNYUYHANSA-N 2 0 194.322 1.326 10 0 ADAERP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCC1 85287946 574028875 /nfs/dbraw/zinc/02/88/75/574028875.db2.gz DBXKHLHQFMGVNB-KOLCDFICSA-N 2 0 194.322 1.469 10 0 ADAERP CCC(CC)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 85282194 574028486 /nfs/dbraw/zinc/02/84/86/574028486.db2.gz IARRNPRDLWKGGB-UWVGGRQHSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+][C@H](CC[NH3+])c1ccc(F)c(C)c1 259284529 574028500 /nfs/dbraw/zinc/02/85/00/574028500.db2.gz HMMLIJUBPIUVBF-LLVKDONJSA-N 2 0 196.269 1.743 10 0 ADAERP C[C@H]1CCC[C@H]1[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282337 574028508 /nfs/dbraw/zinc/02/85/08/574028508.db2.gz OUWGKHDOQNOVCY-NNYUYHANSA-N 2 0 194.322 1.326 10 0 ADAERP C[C@H]1CCC[C@@H]1[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282335 574028543 /nfs/dbraw/zinc/02/85/43/574028543.db2.gz OUWGKHDOQNOVCY-YFKTTZPYSA-N 2 0 194.322 1.326 10 0 ADAERP CC[C@H](C(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282060 574028574 /nfs/dbraw/zinc/02/85/74/574028574.db2.gz KGYNHSZCCWDXRE-GRYCIOLGSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CCC1 85283870 574028581 /nfs/dbraw/zinc/02/85/81/574028581.db2.gz VFOCPMPLHZVXNI-KKZNHRDASA-N 2 0 180.295 1.079 10 0 ADAERP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283849 574028615 /nfs/dbraw/zinc/02/86/15/574028615.db2.gz BFVFVDZTHFEOBM-FIQHERPVSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282336 574028632 /nfs/dbraw/zinc/02/86/32/574028632.db2.gz OUWGKHDOQNOVCY-WISYIIOYSA-N 2 0 194.322 1.326 10 0 ADAERP CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288291 574028918 /nfs/dbraw/zinc/02/89/18/574028918.db2.gz QYKVHFKLZHZKQO-UWVGGRQHSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@H]([NH2+]C)C1(C[NH3+])CCC1 259283954 574028700 /nfs/dbraw/zinc/02/87/00/574028700.db2.gz IKLNQVJPENEHJE-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP 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JKEFFJFOSWKEAX-IONNQARKSA-N 2 0 182.267 1.573 10 0 ADAERP CC(C)[NH2+]CCSC[C@@H](C)[NH3+] 85310458 574030975 /nfs/dbraw/zinc/03/09/75/574030975.db2.gz CCROMBMWFAPTFN-MRVPVSSYSA-N 2 0 176.329 1.065 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCNC(C)(C)CC1 259285643 574031025 /nfs/dbraw/zinc/03/10/25/574031025.db2.gz OPURTPKFFGTRLP-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+]CCC[C@H](CC(C)C)[NH2+]C 259286250 574031039 /nfs/dbraw/zinc/03/10/39/574031039.db2.gz ILYVJYOSKVGNQM-SNVBAGLBSA-N 2 0 172.316 1.620 10 0 ADAERP C[NH2+][C@H](c1ccncc1)[C@@H](C)CC[NH3+] 259286398 574031053 /nfs/dbraw/zinc/03/10/53/574031053.db2.gz INBSLLNPWJCCMC-ONGXEEELSA-N 2 0 193.294 1.327 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C[C@@H](C)C[NH3+])o1 259285447 574031154 /nfs/dbraw/zinc/03/11/54/574031154.db2.gz JKEFFJFOSWKEAX-APPZFPTMSA-N 2 0 182.267 1.573 10 0 ADAERP C[C@H](C[NH3+])C[C@@H]([NH3+])C1CCCCC1 259285502 574031188 /nfs/dbraw/zinc/03/11/88/574031188.db2.gz JLNBXPOFIJCOCK-GXSJLCMTSA-N 2 0 184.327 1.879 10 0 ADAERP 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IRSYULPNJGHDOF-SNVBAGLBSA-N 2 0 186.343 1.996 10 0 ADAERP Cc1sc(C[NH3+])cc1C[NH+](C)C 87794421 574037716 /nfs/dbraw/zinc/03/77/16/574037716.db2.gz DZWYLHNVRTUXQU-UHFFFAOYSA-N 2 0 184.308 1.577 10 0 ADAERP C[NH2+]CCC[C@H]([NH3+])C(C)(C)C 259291119 574037732 /nfs/dbraw/zinc/03/77/32/574037732.db2.gz JSUPPHJHSAUTCY-QMMMGPOBSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@@H](C[NH2+]CC1CC1)N1CCCC1 112340698 574037810 /nfs/dbraw/zinc/03/78/10/574037810.db2.gz YDQZPTGJLHDNFO-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP C[N@@H+]1CC[C@H](CC[C@@H]2CCC[NH2+]C2)C1 259291008 574037900 /nfs/dbraw/zinc/03/79/00/574037900.db2.gz ZVNLZCARHYENTB-RYUDHWBXSA-N 2 0 196.338 1.718 10 0 ADAERP CC1(C)C[N@H+](CC2CCC2)CC[C@H]1[NH3+] 306987003 574038115 /nfs/dbraw/zinc/03/81/15/574038115.db2.gz PMDYCLAYHVYOFP-LLVKDONJSA-N 2 0 196.338 1.846 10 0 ADAERP CC[N@@H+]1CCC[NH2+]CCC1(C)C 259294201 574040082 /nfs/dbraw/zinc/04/00/82/574040082.db2.gz HDZUGDDPCDVVQU-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP 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GMMZJJNYZGFOQJ-JTQLQIEISA-N 2 0 178.279 1.514 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 673754664 486778310 /nfs/dbraw/zinc/77/83/10/486778310.db2.gz BVBOIFFFKGKLNO-LBPRGKRZSA-N 2 0 196.338 1.670 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 673754663 486778408 /nfs/dbraw/zinc/77/84/08/486778408.db2.gz BVBOIFFFKGKLNO-GFCCVEGCSA-N 2 0 196.338 1.670 10 0 ADAERP CCC[C@H](C)C[N@@H+]1CC[C@H](C[NH2+]C)C1 70798744 486793771 /nfs/dbraw/zinc/79/37/71/486793771.db2.gz GNQOPZWSVHGIAX-NWDGAFQWSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[C@@H](C)C[N@@H+]1CC[C@H](C[NH2+]C)C1 70798740 486793968 /nfs/dbraw/zinc/79/39/68/486793968.db2.gz GNQOPZWSVHGIAX-VXGBXAGGSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[C@@H](C)C[NH2+]C1CC[NH2+]CC1 81047504 486803127 /nfs/dbraw/zinc/80/31/27/486803127.db2.gz SRDFQZVXCUPHHQ-JTQLQIEISA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)[C@H](C)C[NH2+]C1CC[NH2+]CC1 81047506 486803619 /nfs/dbraw/zinc/80/36/19/486803619.db2.gz SRDFQZVXCUPHHQ-SNVBAGLBSA-N 2 0 184.327 1.620 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 81635508 486805900 /nfs/dbraw/zinc/80/59/00/486805900.db2.gz QBKOUEDTWOGYJQ-NWDGAFQWSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 81635513 486806122 /nfs/dbraw/zinc/80/61/22/486806122.db2.gz QBKOUEDTWOGYJQ-VXGBXAGGSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 81635519 486806145 /nfs/dbraw/zinc/80/61/45/486806145.db2.gz QBKOUEDTWOGYJQ-NEPJUHHUSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 81635517 486806193 /nfs/dbraw/zinc/80/61/93/486806193.db2.gz QBKOUEDTWOGYJQ-RYUDHWBXSA-N 2 0 196.338 1.894 10 0 ADAERP CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82651667 486823003 /nfs/dbraw/zinc/82/30/03/486823003.db2.gz OCTWMTOUGRSPEO-AXFHLTTASA-N 2 0 184.327 1.844 10 0 ADAERP CCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 82666654 486823035 /nfs/dbraw/zinc/82/30/35/486823035.db2.gz NZGHDCMTPRRGIO-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666633 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/nfs/dbraw/zinc/82/67/19/486826719.db2.gz YTCRKFKJGHCZCY-OUAUKWLOSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1CC[C@@H]([NH2+]CCC[NH3+])[C@H](C)C1 82858746 486827242 /nfs/dbraw/zinc/82/72/42/486827242.db2.gz ZYKWLMYIFYEJJI-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[NH3+] 82858748 486827334 /nfs/dbraw/zinc/82/73/34/486827334.db2.gz LNFYZTYDIPXACW-OUAUKWLOSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1CC[C@H]([NH2+]CCC[NH3+])[C@H](C)C1 82858744 486827446 /nfs/dbraw/zinc/82/74/46/486827446.db2.gz ZYKWLMYIFYEJJI-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCC[NH3+])C1 82858750 486827732 /nfs/dbraw/zinc/82/77/32/486827732.db2.gz LNFYZTYDIPXACW-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])C1CC1 83055523 486830554 /nfs/dbraw/zinc/83/05/54/486830554.db2.gz OBVVIGBQCFHXHP-VIFPVBQESA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@@H]([NH2+]CCC[NH3+])C1CC1 83055525 486830634 /nfs/dbraw/zinc/83/06/34/486830634.db2.gz OBVVIGBQCFHXHP-SECBINFHSA-N 2 0 156.273 1.113 10 0 ADAERP Cc1cccc(NC[C@@H](C)C[NH3+])[nH+]1 83387549 486833285 /nfs/dbraw/zinc/83/32/85/486833285.db2.gz IHEKJAXQYVWYQA-QMMMGPOBSA-N 2 0 179.267 1.397 10 0 ADAERP Cc1cccc(NC[C@H](C)C[NH3+])[nH+]1 83387550 486832699 /nfs/dbraw/zinc/83/26/99/486832699.db2.gz IHEKJAXQYVWYQA-MRVPVSSYSA-N 2 0 179.267 1.397 10 0 ADAERP C[C@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 83390587 486833643 /nfs/dbraw/zinc/83/36/43/486833643.db2.gz IPWREAAYILHQQX-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP Cc1cc[nH+]c(NC[C@@H](C)C[NH3+])c1 83405131 486833672 /nfs/dbraw/zinc/83/36/72/486833672.db2.gz IELPDUXMNGQRMV-VIFPVBQESA-N 2 0 179.267 1.397 10 0 ADAERP C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 83390586 486833927 /nfs/dbraw/zinc/83/39/27/486833927.db2.gz IPWREAAYILHQQX-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP Cc1c[nH+]ccc1NC[C@H](C)C[NH3+] 83387666 486833940 /nfs/dbraw/zinc/83/39/40/486833940.db2.gz BNUXRNBXTHISIF-MRVPVSSYSA-N 2 0 179.267 1.397 10 0 ADAERP 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/nfs/dbraw/zinc/84/73/67/486847367.db2.gz ZAKRGKYAWHLZFV-NSHDSACASA-N 2 0 182.311 1.376 10 0 ADAERP C[C@]1(C[NH2+]CCC2CC2)CC[NH2+]C1 83895409 486847483 /nfs/dbraw/zinc/84/74/83/486847483.db2.gz QOHXXOISFIJKDK-LLVKDONJSA-N 2 0 182.311 1.376 10 0 ADAERP CC(C)([NH3+])C[NH2+]CCC1CC1 83895429 486847594 /nfs/dbraw/zinc/84/75/94/486847594.db2.gz HIDRRMWAEVEIIT-UHFFFAOYSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@]1(C[NH2+]CCC2CC2)CC[NH2+]C1 83895410 486847918 /nfs/dbraw/zinc/84/79/18/486847918.db2.gz QOHXXOISFIJKDK-NSHDSACASA-N 2 0 182.311 1.376 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCC1CC1 83895490 486848369 /nfs/dbraw/zinc/84/83/69/486848369.db2.gz VMMULZSSSRGQMI-LLVKDONJSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)C[C@H]([NH3+])C[NH2+]CCC1CC1 83895489 486848539 /nfs/dbraw/zinc/84/85/39/486848539.db2.gz VMMULZSSSRGQMI-NSHDSACASA-N 2 0 184.327 1.750 10 0 ADAERP C[NH2+]CCC[N@@H+]1C[C@H](C)CC[C@H]1C 84046344 486851050 /nfs/dbraw/zinc/85/10/50/486851050.db2.gz DGHSMRBXZAOSMT-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]CCC[N@@H+]1C[C@@H](C)CC[C@H]1C 84046347 486851099 /nfs/dbraw/zinc/85/10/99/486851099.db2.gz DGHSMRBXZAOSMT-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]CCC[N@@H+]1C[C@@H](C)CC[C@@H]1C 84046341 486851131 /nfs/dbraw/zinc/85/11/31/486851131.db2.gz DGHSMRBXZAOSMT-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CC[NH2+]C2)C1 84048090 486851584 /nfs/dbraw/zinc/85/15/84/486851584.db2.gz JGQRHCYGYRYBQW-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+]CCC[N@@H+]1C[C@H](C)CC[C@@H]1C 84046339 486851630 /nfs/dbraw/zinc/85/16/30/486851630.db2.gz DGHSMRBXZAOSMT-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[C@@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 84048082 486851667 /nfs/dbraw/zinc/85/16/67/486851667.db2.gz JGQRHCYGYRYBQW-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[C@@H]1CCC[N@@H+]1CCC[NH3+] 84125214 486853511 /nfs/dbraw/zinc/85/35/11/486853511.db2.gz GKHSPJRSVLGLAQ-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@H]1CCC[N@@H+]1CCC[NH3+] 84125216 486853629 /nfs/dbraw/zinc/85/36/29/486853629.db2.gz GKHSPJRSVLGLAQ-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84217454 486856046 /nfs/dbraw/zinc/85/60/46/486856046.db2.gz OJTUEBIIOMYSGK-AXFHLTTASA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84216706 486856106 /nfs/dbraw/zinc/85/61/06/486856106.db2.gz VEQFNAMDGCFIBU-DBIOUOCHSA-N 2 0 182.311 1.502 10 0 ADAERP CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84217337 486856147 /nfs/dbraw/zinc/85/61/47/486856147.db2.gz LUCSCVRXMURHNU-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84217333 486856461 /nfs/dbraw/zinc/85/64/61/486856461.db2.gz LUCSCVRXMURHNU-IVZWLZJFSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84217451 486856553 /nfs/dbraw/zinc/85/65/53/486856553.db2.gz OJTUEBIIOMYSGK-HBNTYKKESA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84218552 486856615 /nfs/dbraw/zinc/85/66/15/486856615.db2.gz XQPBWFCVTCUTQA-HBNTYKKESA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84218561 486856633 /nfs/dbraw/zinc/85/66/33/486856633.db2.gz XQPBWFCVTCUTQA-AXFHLTTASA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84222531 486856876 /nfs/dbraw/zinc/85/68/76/486856876.db2.gz GRFWVGAUOQJTEL-IJLUTSLNSA-N 2 0 198.354 1.996 10 0 ADAERP C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84222195 486856910 /nfs/dbraw/zinc/85/69/10/486856910.db2.gz PSQWHUGQUBGONO-JLLWLGSASA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84222542 486856932 /nfs/dbraw/zinc/85/69/32/486856932.db2.gz GRFWVGAUOQJTEL-UTUOFQBUSA-N 2 0 198.354 1.996 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84221458 486857028 /nfs/dbraw/zinc/85/70/28/486857028.db2.gz PCRMPLIFMBEIJO-KYXWUPHJSA-N 2 0 168.284 1.112 10 0 ADAERP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84221828 486857039 /nfs/dbraw/zinc/85/70/39/486857039.db2.gz GLNMSWPBZYSSAW-WISYIIOYSA-N 2 0 196.338 1.892 10 0 ADAERP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84222186 486857109 /nfs/dbraw/zinc/85/71/09/486857109.db2.gz PSQWHUGQUBGONO-YUSALJHKSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@H](C)C[NH2+]CC[C@@H]1CC[NH2+]C1 84385739 486860833 /nfs/dbraw/zinc/86/08/33/486860833.db2.gz FNUAVNAYVUTMTG-WDEREUQCSA-N 2 0 184.327 1.622 10 0 ADAERP CC(C)C[NH2+]CC[C@H]1CC[NH2+]C1 84384993 486860982 /nfs/dbraw/zinc/86/09/82/486860982.db2.gz AJNDRIANEQPVBT-JTQLQIEISA-N 2 0 170.300 1.232 10 0 ADAERP CC[C@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 84385745 486861206 /nfs/dbraw/zinc/86/12/06/486861206.db2.gz FNUAVNAYVUTMTG-QWRGUYRKSA-N 2 0 184.327 1.622 10 0 ADAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CC[NH2+]C1 84385734 486861324 /nfs/dbraw/zinc/86/13/24/486861324.db2.gz FNUAVNAYVUTMTG-GHMZBOCLSA-N 2 0 184.327 1.622 10 0 ADAERP CC[C@@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 84385742 486861388 /nfs/dbraw/zinc/86/13/88/486861388.db2.gz FNUAVNAYVUTMTG-MNOVXSKESA-N 2 0 184.327 1.622 10 0 ADAERP CC(C)C[NH2+]CC[C@@H]1CC[NH2+]C1 84384991 486861487 /nfs/dbraw/zinc/86/14/87/486861487.db2.gz AJNDRIANEQPVBT-SNVBAGLBSA-N 2 0 170.300 1.232 10 0 ADAERP C[N@@H+]1CC[C@H]([NH2+]C2CC2)CC1(C)C 84447648 486861933 /nfs/dbraw/zinc/86/19/33/486861933.db2.gz RVHXODPSVQOUIG-JTQLQIEISA-N 2 0 182.311 1.611 10 0 ADAERP CC(C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 84449235 486861965 /nfs/dbraw/zinc/86/19/65/486861965.db2.gz TWGDUIPTEFUIFB-JTQLQIEISA-N 2 0 184.327 1.857 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH2+]C2CC2)CC1(C)C 84447646 486862021 /nfs/dbraw/zinc/86/20/21/486862021.db2.gz RVHXODPSVQOUIG-SNVBAGLBSA-N 2 0 182.311 1.611 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 84449233 486862125 /nfs/dbraw/zinc/86/21/25/486862125.db2.gz TWGDUIPTEFUIFB-SNVBAGLBSA-N 2 0 184.327 1.857 10 0 ADAERP Cc1cc(NCCC[NH3+])cc[nH+]1 84952201 486862189 /nfs/dbraw/zinc/86/21/89/486862189.db2.gz ASLQSVNONJHFJL-UHFFFAOYSA-N 2 0 165.240 1.151 10 0 ADAERP CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 84449232 486862344 /nfs/dbraw/zinc/86/23/44/486862344.db2.gz JXYWMQGQMCKCRC-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 84449230 486862632 /nfs/dbraw/zinc/86/26/32/486862632.db2.gz JXYWMQGQMCKCRC-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC(C)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282129 486867917 /nfs/dbraw/zinc/86/79/17/486867917.db2.gz DVTQZFHQMWHVED-MXWKQRLJSA-N 2 0 182.311 1.182 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282130 486868005 /nfs/dbraw/zinc/86/80/05/486868005.db2.gz DVTQZFHQMWHVED-GARJFASQSA-N 2 0 182.311 1.182 10 0 ADAERP CC(C)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282132 486868071 /nfs/dbraw/zinc/86/80/71/486868071.db2.gz DVTQZFHQMWHVED-HBNTYKKESA-N 2 0 182.311 1.182 10 0 ADAERP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282281 486868377 /nfs/dbraw/zinc/86/83/77/486868377.db2.gz DVKYRRMXIRPPHB-SDDRHHMPSA-N 2 0 196.338 1.574 10 0 ADAERP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282280 486868410 /nfs/dbraw/zinc/86/84/10/486868410.db2.gz DVKYRRMXIRPPHB-UTUOFQBUSA-N 2 0 196.338 1.574 10 0 ADAERP C[NH2+]CCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009382 486870987 /nfs/dbraw/zinc/87/09/87/486870987.db2.gz HHCRCAJDRGVTKD-AOOOYVTPSA-N 2 0 170.300 1.184 10 0 ADAERP C[NH2+]CCC[NH+]1C[C@H](C)[C@@H](C)C1 86009384 486871452 /nfs/dbraw/zinc/87/14/52/486871452.db2.gz HHCRCAJDRGVTKD-UWVGGRQHSA-N 2 0 170.300 1.184 10 0 ADAERP C[NH2+]CCC[NH+]1C[C@@H](C)[C@H](C)C1 86009385 486871727 /nfs/dbraw/zinc/87/17/27/486871727.db2.gz HHCRCAJDRGVTKD-NXEZZACHSA-N 2 0 170.300 1.184 10 0 ADAERP C[C@@H]1C[NH+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C 86015385 486872336 /nfs/dbraw/zinc/87/23/36/486872336.db2.gz PIKYFDPHDAVRNN-IJLUTSLNSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C 86015378 486872638 /nfs/dbraw/zinc/87/26/38/486872638.db2.gz PIKYFDPHDAVRNN-GRYCIOLGSA-N 2 0 196.338 1.574 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015541 486872676 /nfs/dbraw/zinc/87/26/76/486872676.db2.gz LKQVSXGGWNORIN-GRYCIOLGSA-N 2 0 198.354 1.948 10 0 ADAERP CC(C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86401608 486877415 /nfs/dbraw/zinc/87/74/15/486877415.db2.gz BYNJNCWITPRQGR-BDAKNGLRSA-N 2 0 156.273 1.254 10 0 ADAERP CC(C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86401602 486877548 /nfs/dbraw/zinc/87/75/48/486877548.db2.gz BYNJNCWITPRQGR-DTWKUNHWSA-N 2 0 156.273 1.254 10 0 ADAERP CC(C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86401604 486878114 /nfs/dbraw/zinc/87/81/14/486878114.db2.gz BYNJNCWITPRQGR-IUCAKERBSA-N 2 0 156.273 1.254 10 0 ADAERP CC(C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86401605 486878223 /nfs/dbraw/zinc/87/82/23/486878223.db2.gz BYNJNCWITPRQGR-RKDXNWHRSA-N 2 0 156.273 1.254 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 86404216 486878641 /nfs/dbraw/zinc/87/86/41/486878641.db2.gz UCFHGRQZEDSJTQ-GARJFASQSA-N 2 0 198.310 1.025 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 86404214 486878931 /nfs/dbraw/zinc/87/89/31/486878931.db2.gz UCFHGRQZEDSJTQ-GMTAPVOTSA-N 2 0 198.310 1.025 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 86404213 486878973 /nfs/dbraw/zinc/87/89/73/486878973.db2.gz UCFHGRQZEDSJTQ-HBNTYKKESA-N 2 0 198.310 1.025 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2CCCO2)C1 86402160 486879075 /nfs/dbraw/zinc/87/90/75/486879075.db2.gz PGVMHKDORNATET-DCAQKATOSA-N 2 0 198.310 1.025 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 86404219 486879104 /nfs/dbraw/zinc/87/91/04/486879104.db2.gz UCFHGRQZEDSJTQ-OUAUKWLOSA-N 2 0 198.310 1.025 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCO2)C1 86402156 486879452 /nfs/dbraw/zinc/87/94/52/486879452.db2.gz PGVMHKDORNATET-AXFHLTTASA-N 2 0 198.310 1.025 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86403976 486879509 /nfs/dbraw/zinc/87/95/09/486879509.db2.gz SUZDMZNJFPSOSR-RGOKHQFPSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)C1CC1 86495372 486881344 /nfs/dbraw/zinc/88/13/44/486881344.db2.gz QHHNMVYGVWAFAL-SCVCMEIPSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)C1CC1 86495376 486881837 /nfs/dbraw/zinc/88/18/37/486881837.db2.gz QHHNMVYGVWAFAL-JFGNBEQYSA-N 2 0 196.338 1.905 10 0 ADAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCO2)CC1 86724962 486884159 /nfs/dbraw/zinc/88/41/59/486884159.db2.gz YDCDDWHILDGIPS-ILDUYXDCSA-N 2 0 198.310 1.025 10 0 ADAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCO2)CC1 86724959 486884271 /nfs/dbraw/zinc/88/42/71/486884271.db2.gz YDCDDWHILDGIPS-VQXHTEKXSA-N 2 0 198.310 1.025 10 0 ADAERP CC1(C)C(C[NH2+][C@@H]2CC[NH2+]C2)C1(C)C 86731036 486887660 /nfs/dbraw/zinc/88/76/60/486887660.db2.gz ODNXLRIFWFWCCR-SECBINFHSA-N 2 0 196.338 1.620 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CC[NH2+]C1 86724328 486884917 /nfs/dbraw/zinc/88/49/17/486884917.db2.gz NSUZZYXGBXUXLT-SECBINFHSA-N 2 0 156.273 1.127 10 0 ADAERP CCC(CC)[NH2+][C@H]1CC[NH2+]C1 86724331 486885003 /nfs/dbraw/zinc/88/50/03/486885003.db2.gz NSUZZYXGBXUXLT-VIFPVBQESA-N 2 0 156.273 1.127 10 0 ADAERP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86730720 486886670 /nfs/dbraw/zinc/88/66/70/486886670.db2.gz JFBJFTFZAHGXSC-GARJFASQSA-N 2 0 184.327 1.763 10 0 ADAERP CC1(C)C(C[NH2+][C@H]2CC[NH2+]C2)C1(C)C 86731040 486887085 /nfs/dbraw/zinc/88/70/85/486887085.db2.gz ODNXLRIFWFWCCR-VIFPVBQESA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86730717 486887245 /nfs/dbraw/zinc/88/72/45/486887245.db2.gz JFBJFTFZAHGXSC-HBNTYKKESA-N 2 0 184.327 1.763 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@H]1CC[NH2+]C1 86730432 486887264 /nfs/dbraw/zinc/88/72/64/486887264.db2.gz DZGVIOPZCICFOK-ZJUUUORDSA-N 2 0 170.300 1.230 10 0 ADAERP C1C[C@H]([NH2+]CC(C2CC2)C2CC2)C[NH2+]1 86730743 486887294 /nfs/dbraw/zinc/88/72/94/486887294.db2.gz FWCIBPXITTYVKL-NSHDSACASA-N 2 0 194.322 1.374 10 0 ADAERP CC(C)[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1 86730426 486887370 /nfs/dbraw/zinc/88/73/70/486887370.db2.gz DZGVIOPZCICFOK-VHSXEESVSA-N 2 0 170.300 1.230 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1 86730428 486887565 /nfs/dbraw/zinc/88/75/65/486887565.db2.gz DZGVIOPZCICFOK-NXEZZACHSA-N 2 0 170.300 1.230 10 0 ADAERP C1C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[NH2+]1 86730742 486887638 /nfs/dbraw/zinc/88/76/38/486887638.db2.gz FWCIBPXITTYVKL-LLVKDONJSA-N 2 0 194.322 1.374 10 0 ADAERP CC(C)[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1 86730430 486887669 /nfs/dbraw/zinc/88/76/69/486887669.db2.gz DZGVIOPZCICFOK-UWVGGRQHSA-N 2 0 170.300 1.230 10 0 ADAERP CC1(C)CCC[C@H]1[NH2+]CCC[NH3+] 86856788 486888086 /nfs/dbraw/zinc/88/80/86/486888086.db2.gz JQVUOOCFSSXRHC-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP CC1(C)CCCC[C@@H]1[NH2+]CCC[NH3+] 86843841 486888367 /nfs/dbraw/zinc/88/83/67/486888367.db2.gz HHSOIGIEIKNVPW-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)CCCC[C@H]1[NH2+]CCC[NH3+] 86843844 486888523 /nfs/dbraw/zinc/88/85/23/486888523.db2.gz HHSOIGIEIKNVPW-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)CCC[C@@H]1[NH2+]CCC[NH3+] 86856787 486888576 /nfs/dbraw/zinc/88/85/76/486888576.db2.gz JQVUOOCFSSXRHC-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP Cc1c[nH+]ccc1N[C@H](C)CCC[NH3+] 87362194 486894437 /nfs/dbraw/zinc/89/44/37/486894437.db2.gz ZEPGTWAYJFNPOG-SNVBAGLBSA-N 2 0 193.294 1.929 10 0 ADAERP Cc1c[nH+]ccc1N[C@@H](C)CCC[NH3+] 87362193 486894702 /nfs/dbraw/zinc/89/47/02/486894702.db2.gz ZEPGTWAYJFNPOG-JTQLQIEISA-N 2 0 193.294 1.929 10 0 ADAERP CCC[C@H](C)C[N@H+](C)CCC[NH2+]C 87472164 486896699 /nfs/dbraw/zinc/89/66/99/486896699.db2.gz YIWNPFKCJMNLEO-NSHDSACASA-N 2 0 186.343 1.964 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)CCC[NH2+]C 87472163 486896824 /nfs/dbraw/zinc/89/68/24/486896824.db2.gz YIWNPFKCJMNLEO-LLVKDONJSA-N 2 0 186.343 1.964 10 0 ADAERP CCCC[N@H+](C)C1CC([NH3+])C1 87653163 486899153 /nfs/dbraw/zinc/89/91/53/486899153.db2.gz FFZIFLVHWTXJQJ-UHFFFAOYSA-N 2 0 156.273 1.208 10 0 ADAERP CCC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 87645954 486899603 /nfs/dbraw/zinc/89/96/03/486899603.db2.gz ZGRJWVSPBGFMNH-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP CCC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 87645953 486899712 /nfs/dbraw/zinc/89/97/12/486899712.db2.gz ZGRJWVSPBGFMNH-SNVBAGLBSA-N 2 0 184.327 1.764 10 0 ADAERP CC1(C)CC[C@H]([NH2+]CCC[NH3+])C1 87771111 486901288 /nfs/dbraw/zinc/90/12/88/486901288.db2.gz PCQZJIQLDOTSIW-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CC1(C)CC[C@@H]([NH2+]CCC[NH3+])C1 87771113 486901789 /nfs/dbraw/zinc/90/17/89/486901789.db2.gz PCQZJIQLDOTSIW-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP C[NH2+]C1CC[NH+](CCCF)CC1 88023884 486906108 /nfs/dbraw/zinc/90/61/08/486906108.db2.gz MRMVZSDVBSAHAJ-UHFFFAOYSA-N 2 0 174.263 1.030 10 0 ADAERP [NH3+]CC1CC[NH+](CCCF)CC1 88024291 486907256 /nfs/dbraw/zinc/90/72/56/486907256.db2.gz HTIRXDYUMKSHBP-UHFFFAOYSA-N 2 0 174.263 1.017 10 0 ADAERP C[NH+]1CCC[C@H]1CC[N@@H+](C)CC1CC1 678073138 486916942 /nfs/dbraw/zinc/91/69/42/486916942.db2.gz NCQPBADJNYYKAU-LBPRGKRZSA-N 2 0 196.338 1.813 10 0 ADAERP C[NH+]1CCC[C@@H]1CC[N@@H+](C)CC1CC1 678073133 486917054 /nfs/dbraw/zinc/91/70/54/486917054.db2.gz NCQPBADJNYYKAU-GFCCVEGCSA-N 2 0 196.338 1.813 10 0 ADAERP CC(C)[C@H]1CC[N@H+](CCC[NH3+])C1 108289172 486922138 /nfs/dbraw/zinc/92/21/38/486922138.db2.gz ASLBYVQISZFMBT-JTQLQIEISA-N 2 0 170.300 1.313 10 0 ADAERP CC(C)[C@@H]1CC[N@H+](CCC[NH3+])C1 108289169 486922452 /nfs/dbraw/zinc/92/24/52/486922452.db2.gz ASLBYVQISZFMBT-SNVBAGLBSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@@H]1CCCCC[N@@H+]1CCC[NH3+] 108297465 486922496 /nfs/dbraw/zinc/92/24/96/486922496.db2.gz YPDYGJGTYGNPFJ-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP CC[C@H]1CCCCC[N@@H+]1CCC[NH3+] 108297467 486922558 /nfs/dbraw/zinc/92/25/58/486922558.db2.gz YPDYGJGTYGNPFJ-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP C[C@H]([NH2+]CCC[NH+](C)C)C(C)(C)C 122117599 486930225 /nfs/dbraw/zinc/93/02/25/486930225.db2.gz GQIDGCKCKBCOFF-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP C[C@@H]([NH2+]CCC[NH+](C)C)C(C)(C)C 122117843 486930973 /nfs/dbraw/zinc/93/09/73/486930973.db2.gz GQIDGCKCKBCOFF-SNVBAGLBSA-N 2 0 186.343 1.962 10 0 ADAERP C[C@H](Cc1ccsc1)[NH2+]CCC[NH3+] 135297855 486942434 /nfs/dbraw/zinc/94/24/34/486942434.db2.gz DYMWCYLFSHYZAG-SECBINFHSA-N 2 0 198.335 1.618 10 0 ADAERP C[C@@H](CC1CC1)[NH2+]CCC[NH3+] 135304096 486942537 /nfs/dbraw/zinc/94/25/37/486942537.db2.gz BOHXXISHOYHAMY-QMMMGPOBSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@H](CC1CC1)[NH2+]CCC[NH3+] 135304115 486942643 /nfs/dbraw/zinc/94/26/43/486942643.db2.gz BOHXXISHOYHAMY-MRVPVSSYSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCCc2occc21 135078114 486942819 /nfs/dbraw/zinc/94/28/19/486942819.db2.gz JFNSLRAENMCSKW-SNVBAGLBSA-N 2 0 194.278 1.595 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CCCc2occc21 135078133 486942850 /nfs/dbraw/zinc/94/28/50/486942850.db2.gz JFNSLRAENMCSKW-JTQLQIEISA-N 2 0 194.278 1.595 10 0 ADAERP CCC[C@H](CC)[NH2+]CCC[NH3+] 135300512 486942968 /nfs/dbraw/zinc/94/29/68/486942968.db2.gz MMUPKLBYZQETRP-VIFPVBQESA-N 2 0 158.289 1.504 10 0 ADAERP CCC[C@@H](CC)[NH2+]CCC[NH3+] 135300491 486943072 /nfs/dbraw/zinc/94/30/72/486943072.db2.gz MMUPKLBYZQETRP-SECBINFHSA-N 2 0 158.289 1.504 10 0 ADAERP C[C@@H](Cc1ccsc1)[NH2+]CCC[NH3+] 135297833 486943097 /nfs/dbraw/zinc/94/30/97/486943097.db2.gz DYMWCYLFSHYZAG-VIFPVBQESA-N 2 0 198.335 1.618 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 142962674 486948576 /nfs/dbraw/zinc/94/85/76/486948576.db2.gz GAHXSTGBDGOYOE-VGMNWLOBSA-N 2 0 158.289 1.356 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 142963098 486948729 /nfs/dbraw/zinc/94/87/29/486948729.db2.gz GAHXSTGBDGOYOE-HRDYMLBCSA-N 2 0 158.289 1.356 10 0 ADAERP CC[C@@H]1C[N@H+](CCCF)CC[C@@H]1[NH3+] 147506558 486955669 /nfs/dbraw/zinc/95/56/69/486955669.db2.gz GDAGKMADKACVIC-ZJUUUORDSA-N 2 0 188.290 1.405 10 0 ADAERP CC[C@H]1C[N@H+](CCCF)CC[C@@H]1[NH3+] 147506733 486956131 /nfs/dbraw/zinc/95/61/31/486956131.db2.gz GDAGKMADKACVIC-UWVGGRQHSA-N 2 0 188.290 1.405 10 0 ADAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)CC1CC1 156856872 486963394 /nfs/dbraw/zinc/96/33/94/486963394.db2.gz WVUOUXDZUXYVKE-GFCCVEGCSA-N 2 0 196.338 1.908 10 0 ADAERP C(C[NH2+][C@H]1CCC[NH2+]CC1)CC1CC1 156856748 486963741 /nfs/dbraw/zinc/96/37/41/486963741.db2.gz WVUOUXDZUXYVKE-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP C(C[NH2+]C1CC[NH2+]CC1)CC1CC1 156855098 486964100 /nfs/dbraw/zinc/96/41/00/486964100.db2.gz DEGRIBYZLYOUGH-UHFFFAOYSA-N 2 0 182.311 1.518 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 157941449 486967620 /nfs/dbraw/zinc/96/76/20/486967620.db2.gz YAUVHCIAYMEBNL-GRYCIOLGSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@@H](C)[N@H+](C[C@]2(C)CC[NH2+]C2)C1 157941724 486967668 /nfs/dbraw/zinc/96/76/68/486967668.db2.gz YAUVHCIAYMEBNL-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP C[N@H+](CCC[NH3+])CCOC(C)(C)C 160934109 486978719 /nfs/dbraw/zinc/97/87/19/486978719.db2.gz RNZKZRPZJIOHJZ-UHFFFAOYSA-N 2 0 188.315 1.082 10 0 ADAERP C[C@@H]([NH2+]CCC[NH3+])C(C)(C)C 162708229 486983792 /nfs/dbraw/zinc/98/37/92/486983792.db2.gz DXJXLTAQGKMECV-MRVPVSSYSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])C(C)(C)C 162708112 486984139 /nfs/dbraw/zinc/98/41/39/486984139.db2.gz DXJXLTAQGKMECV-QMMMGPOBSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@@H](C[NH2+]C[C@@H]1CC[NH2+]C1)C(C)(C)C 163006692 486984941 /nfs/dbraw/zinc/98/49/41/486984941.db2.gz KWTIGJMOVNWHCG-WDEREUQCSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@@H](C[NH2+]C[C@H]1CC[NH2+]C1)C(C)(C)C 163006862 486984950 /nfs/dbraw/zinc/98/49/50/486984950.db2.gz KWTIGJMOVNWHCG-QWRGUYRKSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]C[C@H](C)C(C)(C)C 162961149 486984971 /nfs/dbraw/zinc/98/49/71/486984971.db2.gz UPWLNLDFDIEAKT-UWVGGRQHSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@H](C[NH2+]C[C@H]1CC[NH2+]C1)C(C)(C)C 163006953 486985361 /nfs/dbraw/zinc/98/53/61/486985361.db2.gz KWTIGJMOVNWHCG-MNOVXSKESA-N 2 0 198.354 1.868 10 0 ADAERP C[C@H](C[NH2+]CC[C@@H](C)[NH3+])C(C)(C)C 162961027 486985402 /nfs/dbraw/zinc/98/54/02/486985402.db2.gz UPWLNLDFDIEAKT-NXEZZACHSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@@H]([NH3+])CC[NH2+]C[C@H](C)C(C)(C)C 162961287 486985465 /nfs/dbraw/zinc/98/54/65/486985465.db2.gz UPWLNLDFDIEAKT-VHSXEESVSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@H](C[NH2+]C[C@@H]1CC[NH2+]C1)C(C)(C)C 163006792 486985828 /nfs/dbraw/zinc/98/58/28/486985828.db2.gz KWTIGJMOVNWHCG-GHMZBOCLSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@H]([NH3+])CC[NH2+]C[C@@H](C)C(C)(C)C 162960907 486985834 /nfs/dbraw/zinc/98/58/34/486985834.db2.gz UPWLNLDFDIEAKT-ZJUUUORDSA-N 2 0 186.343 1.996 10 0 ADAERP CO[C@@H](C)C[N@H+](CCC[NH3+])C(C)C 166951547 486996528 /nfs/dbraw/zinc/99/65/28/486996528.db2.gz HKMNYFFSYNGTOJ-JTQLQIEISA-N 2 0 188.315 1.081 10 0 ADAERP CO[C@H](C)C[N@H+](CCC[NH3+])C(C)C 166951430 486996603 /nfs/dbraw/zinc/99/66/03/486996603.db2.gz HKMNYFFSYNGTOJ-SNVBAGLBSA-N 2 0 188.315 1.081 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1CC[NH2+]C1 167538194 487000644 /nfs/dbraw/zinc/00/06/44/487000644.db2.gz HMNLXIFXCXAFMP-OUAUKWLOSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]CC[C@@H]1CC[NH2+]C1 167538421 487000904 /nfs/dbraw/zinc/00/09/04/487000904.db2.gz HMNLXIFXCXAFMP-VWYCJHECSA-N 2 0 182.311 1.232 10 0 ADAERP C[Si](C)(n1ccnc1)n1ccnc1 196501239 487011417 /nfs/dbraw/zinc/01/14/17/487011417.db2.gz KSAXRSCCGNYTLK-UHFFFAOYSA-N 2 0 192.298 1.178 10 0 ADAERP C[NH2+]CCC[NH2+][C@H](C)CC(C)C 201763992 487017813 /nfs/dbraw/zinc/01/78/13/487017813.db2.gz LUEUBQRBXASRNI-SNVBAGLBSA-N 2 0 172.316 1.620 10 0 ADAERP C[NH2+]CCC[NH2+][C@@H](C)CC(C)C 201764019 487018046 /nfs/dbraw/zinc/01/80/46/487018046.db2.gz LUEUBQRBXASRNI-JTQLQIEISA-N 2 0 172.316 1.620 10 0 ADAERP CCC[C@@H](C)C[NH2+][C@@H](C)CC[NH3+] 220517111 487030580 /nfs/dbraw/zinc/03/05/80/487030580.db2.gz SYAVPVGNYWYYKU-ZJUUUORDSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@@H](C)C[NH2+][C@H](C)CC[NH3+] 220517240 487030488 /nfs/dbraw/zinc/03/04/88/487030488.db2.gz SYAVPVGNYWYYKU-NXEZZACHSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@H](C)C[NH2+][C@@H](C)CC[NH3+] 220517171 487030752 /nfs/dbraw/zinc/03/07/52/487030752.db2.gz SYAVPVGNYWYYKU-UWVGGRQHSA-N 2 0 172.316 1.750 10 0 ADAERP C[N@H+](CCC1CC1)C[C@H]1CCC[NH2+]C1 220387031 487031083 /nfs/dbraw/zinc/03/10/83/487031083.db2.gz HLJKLWPHJSWQBC-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP CCC[C@H](C)C[NH2+][C@H](C)CC[NH3+] 220517313 487031111 /nfs/dbraw/zinc/03/11/11/487031111.db2.gz SYAVPVGNYWYYKU-VHSXEESVSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@H](C)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 221284124 487032127 /nfs/dbraw/zinc/03/21/27/487032127.db2.gz GNQOPZWSVHGIAX-RYUDHWBXSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 221284069 487032344 /nfs/dbraw/zinc/03/23/44/487032344.db2.gz GNQOPZWSVHGIAX-NEPJUHHUSA-N 2 0 198.354 1.964 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 222606871 487033893 /nfs/dbraw/zinc/03/38/93/487033893.db2.gz YAUVHCIAYMEBNL-WOPDTQHZSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@@H](C)[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 222606736 487033908 /nfs/dbraw/zinc/03/39/08/487033908.db2.gz YAUVHCIAYMEBNL-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CCC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])C1 224207171 487038641 /nfs/dbraw/zinc/03/86/41/487038641.db2.gz WZFYVSZCPMOOSQ-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CCC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH3+])C1 224207118 487038899 /nfs/dbraw/zinc/03/88/99/487038899.db2.gz WZFYVSZCPMOOSQ-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)C[N@@H+]1CC2CC1(C[NH3+])C2 225861391 487045807 /nfs/dbraw/zinc/04/58/07/487045807.db2.gz WUXYQJPYVGMEFH-UHFFFAOYSA-N 2 0 168.284 1.066 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 226631388 487052457 /nfs/dbraw/zinc/05/24/57/487052457.db2.gz QLJYMWVQTHQIPR-QWRGUYRKSA-N 2 0 184.327 1.572 10 0 ADAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)C1 226761827 487053861 /nfs/dbraw/zinc/05/38/61/487053861.db2.gz BNROVJJIDMISQM-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCF 227735343 487055590 /nfs/dbraw/zinc/05/55/90/487055590.db2.gz CGPOIIVZSCIXRL-JTQLQIEISA-N 2 0 190.306 1.651 10 0 ADAERP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCF 227735349 487055773 /nfs/dbraw/zinc/05/57/73/487055773.db2.gz CGPOIIVZSCIXRL-SNVBAGLBSA-N 2 0 190.306 1.651 10 0 ADAERP CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 228065098 487057013 /nfs/dbraw/zinc/05/70/13/487057013.db2.gz FQDJGWXKUQAZCK-LPEHRKFASA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[N@H+](CCC[NH3+])C1CCC1 228582516 487060753 /nfs/dbraw/zinc/06/07/53/487060753.db2.gz GKBFMTITPAXYGK-UHFFFAOYSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]1C[C@@H]1C 228791390 487061770 /nfs/dbraw/zinc/06/17/70/487061770.db2.gz MYJNLQTWDCWMCA-HBNTYKKESA-N 2 0 184.327 1.605 10 0 ADAERP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]1C[C@@H]1C 228791376 487062050 /nfs/dbraw/zinc/06/20/50/487062050.db2.gz MYJNLQTWDCWMCA-GARJFASQSA-N 2 0 184.327 1.605 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 229063237 487064570 /nfs/dbraw/zinc/06/45/70/487064570.db2.gz XBHKFSGAAJGMLI-VWYCJHECSA-N 2 0 184.327 1.702 10 0 ADAERP CCN(CC[NH3+])c1cc[nH+]c(C)c1 229593635 487067288 /nfs/dbraw/zinc/06/72/88/487067288.db2.gz KNRSBSWPAAHWOB-UHFFFAOYSA-N 2 0 179.267 1.175 10 0 ADAERP CCC[NH2+]CCNc1cc[nH+]c(C)c1 229574635 487067336 /nfs/dbraw/zinc/06/73/36/487067336.db2.gz UQLPWFPSOBTRHJ-UHFFFAOYSA-N 2 0 193.294 1.802 10 0 ADAERP CCC1([NH2+]C[C@@H]2CCC[NH2+]C2)CCC1 229483010 487067358 /nfs/dbraw/zinc/06/73/58/487067358.db2.gz LIQKGMWIBZAHGL-LLVKDONJSA-N 2 0 196.338 1.908 10 0 ADAERP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])cc[nH+]1 229594601 487067454 /nfs/dbraw/zinc/06/74/54/487067454.db2.gz RDWBUEVTCCMDGQ-WPRPVWTQSA-N 2 0 193.294 1.928 10 0 ADAERP Cc1cc(N[C@H](C)CCC[NH3+])cc[nH+]1 229594379 487067627 /nfs/dbraw/zinc/06/76/27/487067627.db2.gz PMCFTDNMFBHUPT-SECBINFHSA-N 2 0 193.294 1.929 10 0 ADAERP Cc1cc(NC[C@@H]([NH3+])C(C)C)cc[nH+]1 229575628 487067633 /nfs/dbraw/zinc/06/76/33/487067633.db2.gz YFBYXCAXSGPGEZ-LLVKDONJSA-N 2 0 193.294 1.785 10 0 ADAERP CC(C)C(C[NH2+][C@@H]1CC[NH2+]C1)C(C)C 229536609 487067644 /nfs/dbraw/zinc/06/76/44/487067644.db2.gz BRYYTFDUNBVIQH-LLVKDONJSA-N 2 0 198.354 1.866 10 0 ADAERP CCC1([NH2+]C[C@H]2CCC[NH2+]C2)CCC1 229483021 487067714 /nfs/dbraw/zinc/06/77/14/487067714.db2.gz LIQKGMWIBZAHGL-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP Cc1cc(NC[C@@H]([NH3+])C2CC2)cc[nH+]1 229576906 487067791 /nfs/dbraw/zinc/06/77/91/487067791.db2.gz DQYOUUPPVJUIHV-LLVKDONJSA-N 2 0 191.278 1.539 10 0 ADAERP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])cc[nH+]1 229594585 487067860 /nfs/dbraw/zinc/06/78/60/487067860.db2.gz RDWBUEVTCCMDGQ-WCBMZHEXSA-N 2 0 193.294 1.928 10 0 ADAERP CC[NH2+]CCNc1cc[nH+]c(C)c1 229574618 487067864 /nfs/dbraw/zinc/06/78/64/487067864.db2.gz OASVZUACGQKXDA-UHFFFAOYSA-N 2 0 179.267 1.411 10 0 ADAERP Cc1cc(NCC[NH2+]C2CC2)cc[nH+]1 229574664 487067869 /nfs/dbraw/zinc/06/78/69/487067869.db2.gz YAXCPXGVAJYVKI-UHFFFAOYSA-N 2 0 191.278 1.554 10 0 ADAERP CCC1([NH2+]CC2CC[NH2+]CC2)CCC1 229482661 487067883 /nfs/dbraw/zinc/06/78/83/487067883.db2.gz VYCHELFBGNHPIQ-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])cc[nH+]1 229594594 487067888 /nfs/dbraw/zinc/06/78/88/487067888.db2.gz RDWBUEVTCCMDGQ-SCZZXKLOSA-N 2 0 193.294 1.928 10 0 ADAERP CC(C)C(C[NH2+][C@H]1CC[NH2+]C1)C(C)C 229536616 487067939 /nfs/dbraw/zinc/06/79/39/487067939.db2.gz BRYYTFDUNBVIQH-NSHDSACASA-N 2 0 198.354 1.866 10 0 ADAERP Cc1cc(NC[C@H]([NH3+])C2CC2)cc[nH+]1 229576913 487067952 /nfs/dbraw/zinc/06/79/52/487067952.db2.gz DQYOUUPPVJUIHV-NSHDSACASA-N 2 0 191.278 1.539 10 0 ADAERP Cc1cc(NC[C@@H](C)C[NH3+])cc[nH+]1 229594169 487067957 /nfs/dbraw/zinc/06/79/57/487067957.db2.gz JTOGKNCHPBCSPD-QMMMGPOBSA-N 2 0 179.267 1.397 10 0 ADAERP Cc1cc(NCC[C@@H](C)[NH3+])cc[nH+]1 229574812 487067963 /nfs/dbraw/zinc/06/79/63/487067963.db2.gz KLTYOZHZNCNRMN-MRVPVSSYSA-N 2 0 179.267 1.539 10 0 ADAERP Cc1cc(N[C@@H](C)CCC[NH3+])cc[nH+]1 229594371 487067982 /nfs/dbraw/zinc/06/79/82/487067982.db2.gz PMCFTDNMFBHUPT-VIFPVBQESA-N 2 0 193.294 1.929 10 0 ADAERP Cc1cc(NC[C@H](C)C[NH3+])cc[nH+]1 229594179 487068005 /nfs/dbraw/zinc/06/80/05/487068005.db2.gz JTOGKNCHPBCSPD-MRVPVSSYSA-N 2 0 179.267 1.397 10 0 ADAERP Cc1cc(NC[C@H]([NH3+])C(C)C)cc[nH+]1 229575620 487068011 /nfs/dbraw/zinc/06/80/11/487068011.db2.gz YFBYXCAXSGPGEZ-NSHDSACASA-N 2 0 193.294 1.785 10 0 ADAERP CCC1([NH2+]CCC[NH3+])CCC1 229482297 487068015 /nfs/dbraw/zinc/06/80/15/487068015.db2.gz UCEODAOUHCVQJR-UHFFFAOYSA-N 2 0 156.273 1.258 10 0 ADAERP C[NH2+]CCNc1cc[nH+]c(C)c1 229574602 487068031 /nfs/dbraw/zinc/06/80/31/487068031.db2.gz ZHQRYHLNXIRYNT-UHFFFAOYSA-N 2 0 165.240 1.021 10 0 ADAERP CC[NH2+]CCCNc1cc[nH+]c(C)c1 229574293 487068056 /nfs/dbraw/zinc/06/80/56/487068056.db2.gz WBWMQCWBWYIISQ-UHFFFAOYSA-N 2 0 193.294 1.802 10 0 ADAERP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])cc[nH+]1 229594577 487068069 /nfs/dbraw/zinc/06/80/69/487068069.db2.gz RDWBUEVTCCMDGQ-PSASIEDQSA-N 2 0 193.294 1.928 10 0 ADAERP C[C@@H](CC1CCC1)[NH2+]CCC[NH3+] 229689791 487068499 /nfs/dbraw/zinc/06/84/99/487068499.db2.gz HSKOZJNBILGDOQ-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 229632181 487068591 /nfs/dbraw/zinc/06/85/91/487068591.db2.gz HYJYPFBAKIGVCW-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@H]1CCC[C@H]1[NH2+]CCC[NH3+] 229632201 487068646 /nfs/dbraw/zinc/06/86/46/487068646.db2.gz HYJYPFBAKIGVCW-VHSXEESVSA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@@H]1CCC[C@H]1[NH2+]CCC[NH3+] 229632193 487068933 /nfs/dbraw/zinc/06/89/33/487068933.db2.gz HYJYPFBAKIGVCW-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@H](CC1CCC1)[NH2+]CCC[NH3+] 229689797 487068968 /nfs/dbraw/zinc/06/89/68/487068968.db2.gz HSKOZJNBILGDOQ-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 229632173 487069099 /nfs/dbraw/zinc/06/90/99/487069099.db2.gz HYJYPFBAKIGVCW-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 230401374 487074121 /nfs/dbraw/zinc/07/41/21/487074121.db2.gz LHWGIUOYLATTTR-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP 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FURJJULHYAOMNA-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP C1CC([NH2+]CC2(C3CC3)CC2)CC[NH2+]1 232568501 487083454 /nfs/dbraw/zinc/08/34/54/487083454.db2.gz DCEDSHLDTXEFFI-UHFFFAOYSA-N 2 0 194.322 1.518 10 0 ADAERP CC(C)C1(C[NH2+]CCC[NH+](C)C)CC1 232531307 487083469 /nfs/dbraw/zinc/08/34/69/487083469.db2.gz QIALJZMKAWEPIR-UHFFFAOYSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)[C@H]([NH3+])CC[NH2+]CC1(C)CC1 232712704 487084222 /nfs/dbraw/zinc/08/42/22/487084222.db2.gz MWSDEPITZYSNRD-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)C1(C[NH2+]C2CC[NH2+]CC2)CC1 232659347 487084362 /nfs/dbraw/zinc/08/43/62/487084362.db2.gz MZJUGMCVHLFYSX-UHFFFAOYSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 232774316 487084406 /nfs/dbraw/zinc/08/44/06/487084406.db2.gz IVGPUEAYGHOMLZ-SNVBAGLBSA-N 2 0 184.327 1.620 10 0 ADAERP CC(C)[C@H]([NH3+])C[NH2+]CC1(C)CCC1 232718492 487084753 /nfs/dbraw/zinc/08/47/53/487084753.db2.gz DLCNNZUDJSMOMP-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)[C@@H]([NH3+])C[NH2+]CC1(C)CCC1 232707911 487084865 /nfs/dbraw/zinc/08/48/65/487084865.db2.gz DLCNNZUDJSMOMP-JTQLQIEISA-N 2 0 184.327 1.750 10 0 ADAERP CCC(CC)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232867169 487085241 /nfs/dbraw/zinc/08/52/41/487085241.db2.gz ZACLFJIWNVQKNF-KOLCDFICSA-N 2 0 184.327 1.702 10 0 ADAERP CC1(C[NH2+]CC2([NH3+])CCC2)CCC1 232857538 487085712 /nfs/dbraw/zinc/08/57/12/487085712.db2.gz YWPOLEQTZITDQQ-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP CC1(C[NH2+]CC2CC[NH2+]CC2)CCC1 232860080 487085816 /nfs/dbraw/zinc/08/58/16/487085816.db2.gz WLLAFUNUWCFPBV-UHFFFAOYSA-N 2 0 196.338 1.766 10 0 ADAERP CC(C)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1 232789666 487085823 /nfs/dbraw/zinc/08/58/23/487085823.db2.gz IVGPUEAYGHOMLZ-JTQLQIEISA-N 2 0 184.327 1.620 10 0 ADAERP CC1(C[NH2+]CCC[NH2+]C2CC2)CCC1 232863205 487085907 /nfs/dbraw/zinc/08/59/07/487085907.db2.gz SWYRBYCXVMIJBA-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP CCC(CC)C[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 232867710 487086010 /nfs/dbraw/zinc/08/60/10/487086010.db2.gz ZACLFJIWNVQKNF-ONGXEEELSA-N 2 0 184.327 1.702 10 0 ADAERP CC1(C[NH2+]CCC[NH3+])CCC1 232811124 487086026 /nfs/dbraw/zinc/08/60/26/487086026.db2.gz MXEKTIKFYMOZBF-UHFFFAOYSA-N 2 0 156.273 1.115 10 0 ADAERP CC1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCC1 232874046 487086493 /nfs/dbraw/zinc/08/64/93/487086493.db2.gz VRBVPQHPLQUCIH-LLVKDONJSA-N 2 0 196.338 1.766 10 0 ADAERP CCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 232881888 487086529 /nfs/dbraw/zinc/08/65/29/487086529.db2.gz XZEYLOIVYCYRLE-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP CC1(C[NH2+]C[C@H]2CCC[NH2+]2)CCC1 232909401 487086675 /nfs/dbraw/zinc/08/66/75/487086675.db2.gz ALTIABKHCURCML-SNVBAGLBSA-N 2 0 182.311 1.518 10 0 ADAERP CC1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCC1 232909612 487086721 /nfs/dbraw/zinc/08/67/21/487086721.db2.gz ZWTZMYALNXDDLM-NSHDSACASA-N 2 0 196.338 1.766 10 0 ADAERP CC1(C[NH2+]C[C@@H]2CC[NH2+]C2)CCC1 232893001 487086852 /nfs/dbraw/zinc/08/68/52/487086852.db2.gz FNFGNZGSQROOOQ-SNVBAGLBSA-N 2 0 182.311 1.376 10 0 ADAERP CC1(C[NH2+]C[C@]2(C)CC[NH2+]C2)CCC1 232915695 487086866 /nfs/dbraw/zinc/08/68/66/487086866.db2.gz WYJGTOHQQWOJBB-GFCCVEGCSA-N 2 0 196.338 1.766 10 0 ADAERP CC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCC1 232891023 487086953 /nfs/dbraw/zinc/08/69/53/487086953.db2.gz ALTIABKHCURCML-JTQLQIEISA-N 2 0 182.311 1.518 10 0 ADAERP CC1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CCC1 232898494 487086985 /nfs/dbraw/zinc/08/69/85/487086985.db2.gz WYJGTOHQQWOJBB-LBPRGKRZSA-N 2 0 196.338 1.766 10 0 ADAERP CC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCC1 232891333 487087042 /nfs/dbraw/zinc/08/70/42/487087042.db2.gz ZWTZMYALNXDDLM-LLVKDONJSA-N 2 0 196.338 1.766 10 0 ADAERP CC1(C[NH2+]C[C@H]2CC[NH2+]C2)CCC1 232910942 487087050 /nfs/dbraw/zinc/08/70/50/487087050.db2.gz FNFGNZGSQROOOQ-JTQLQIEISA-N 2 0 182.311 1.376 10 0 ADAERP CCC1(C[NH2+][C@H]2CC[NH2+]C2)CCCC1 232887221 487087060 /nfs/dbraw/zinc/08/70/60/487087060.db2.gz OHZDYBATJHSKMR-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP CCCCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 232991544 487087704 /nfs/dbraw/zinc/08/77/04/487087704.db2.gz NLRZWCISWWCSAH-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 233029161 487087832 /nfs/dbraw/zinc/08/78/32/487087832.db2.gz GDBAHWVGOMSOPS-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP CCCC[NH2+][C@H](CCC[NH3+])COC 232995211 487087870 /nfs/dbraw/zinc/08/78/70/487087870.db2.gz VNEDNPNZQNSBNY-SNVBAGLBSA-N 2 0 188.315 1.130 10 0 ADAERP CCC1(C[NH2+]C2CC[NH2+]CC2)CCC1 232993357 487087908 /nfs/dbraw/zinc/08/79/08/487087908.db2.gz ANEKCRHEYMVZTQ-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP CC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 233023191 487088099 /nfs/dbraw/zinc/08/80/99/487088099.db2.gz GDBAHWVGOMSOPS-WDEREUQCSA-N 2 0 196.338 1.894 10 0 ADAERP CCCC1(C[NH2+]C2CC[NH2+]CC2)CC1 232952064 487088126 /nfs/dbraw/zinc/08/81/26/487088126.db2.gz LVGCGDBFKFHRPX-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP CCC1(C[NH2+]C2CC[NH2+]CC2)CC1 232993302 487088248 /nfs/dbraw/zinc/08/82/48/487088248.db2.gz 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CCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 233281669 487089266 /nfs/dbraw/zinc/08/92/66/487089266.db2.gz RNOWGMQYCNLGCD-NXEZZACHSA-N 2 0 170.300 1.374 10 0 ADAERP CCC[NH2+]CC[NH2+]CC1(C)CCC1 233090356 487089271 /nfs/dbraw/zinc/08/92/71/487089271.db2.gz HOWIODZQSFRRCG-UHFFFAOYSA-N 2 0 184.327 1.766 10 0 ADAERP CCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCCC1 233089705 487089344 /nfs/dbraw/zinc/08/93/44/487089344.db2.gz OHZDYBATJHSKMR-LLVKDONJSA-N 2 0 196.338 1.908 10 0 ADAERP CCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 233088483 487089386 /nfs/dbraw/zinc/08/93/86/487089386.db2.gz XZEYLOIVYCYRLE-LLVKDONJSA-N 2 0 196.338 1.908 10 0 ADAERP CCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 233338221 487090212 /nfs/dbraw/zinc/09/02/12/487090212.db2.gz RNOWGMQYCNLGCD-VHSXEESVSA-N 2 0 170.300 1.374 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH2+]CC1 233305521 487090231 /nfs/dbraw/zinc/09/02/31/487090231.db2.gz UEEWTFFEBHRLIB-MWLCHTKSSA-N 2 0 182.311 1.517 10 0 ADAERP CCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 233337484 487090349 /nfs/dbraw/zinc/09/03/49/487090349.db2.gz RNOWGMQYCNLGCD-UWVGGRQHSA-N 2 0 170.300 1.374 10 0 ADAERP CCC[C@H](C)[NH2+]CC[C@@H](C)[NH3+] 233337388 487090576 /nfs/dbraw/zinc/09/05/76/487090576.db2.gz GOVUUOVLTVWIRL-BDAKNGLRSA-N 2 0 158.289 1.502 10 0 ADAERP CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 233326417 487090610 /nfs/dbraw/zinc/09/06/10/487090610.db2.gz CWUSSRAGFGDHQF-AXFHLTTASA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 233309672 487090769 /nfs/dbraw/zinc/09/07/69/487090769.db2.gz FHSXMAFOHTUZHZ-IJLUTSLNSA-N 2 0 196.338 1.907 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 233338751 487091265 /nfs/dbraw/zinc/09/12/65/487091265.db2.gz AAUUAFQIGIQXGM-WDEREUQCSA-N 2 0 184.327 1.907 10 0 ADAERP CCC[C@H]1C[C@@H]1[NH2+]C1CC[NH2+]CC1 233401469 487091948 /nfs/dbraw/zinc/09/19/48/487091948.db2.gz UEEWTFFEBHRLIB-ONGXEEELSA-N 2 0 182.311 1.517 10 0 ADAERP CCC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 233339009 487092054 /nfs/dbraw/zinc/09/20/54/487092054.db2.gz 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/nfs/dbraw/zinc/21/28/96/487212896.db2.gz FXXOEVKCXTZDMG-OUAUKWLOSA-N 2 0 193.294 1.517 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCn1ccnc1 321455790 487213036 /nfs/dbraw/zinc/21/30/36/487213036.db2.gz FXXOEVKCXTZDMG-MXWKQRLJSA-N 2 0 193.294 1.517 10 0 ADAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCn1ccnc1 321455788 487213111 /nfs/dbraw/zinc/21/31/11/487213111.db2.gz FXXOEVKCXTZDMG-GMTAPVOTSA-N 2 0 193.294 1.517 10 0 ADAERP C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C 322172151 487218593 /nfs/dbraw/zinc/21/85/93/487218593.db2.gz MAPFPYNCJFPANB-IRCOFANPSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C 322172153 487218738 /nfs/dbraw/zinc/21/87/38/487218738.db2.gz MAPFPYNCJFPANB-QCNOEVLYSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1C[C@H]1C 322172152 487218829 /nfs/dbraw/zinc/21/88/29/487218829.db2.gz MAPFPYNCJFPANB-KKOKHZNYSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@H]1C 322172150 487218855 /nfs/dbraw/zinc/21/88/55/487218855.db2.gz MAPFPYNCJFPANB-DDHJBXDOSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCC[NH+](C)C 322217027 487219322 /nfs/dbraw/zinc/21/93/22/487219322.db2.gz VZKJERZHFXQDIH-IJLUTSLNSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1C[C@H]1C 322217029 487219598 /nfs/dbraw/zinc/21/95/98/487219598.db2.gz VZKJERZHFXQDIH-WOPDTQHZSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C[C@H]1C 322217026 487219677 /nfs/dbraw/zinc/21/96/77/487219677.db2.gz VZKJERZHFXQDIH-GRYCIOLGSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[NH+](C)C 322217028 487219707 /nfs/dbraw/zinc/21/97/07/487219707.db2.gz VZKJERZHFXQDIH-UTUOFQBUSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@@H]([NH2+][C@H]1CCN(CC)C1)C1CC1 323777073 487224476 /nfs/dbraw/zinc/22/44/76/487224476.db2.gz ZEHZFCWHCDIMAG-NWDGAFQWSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]([NH2+][C@@H]1CCN(CC)C1)C1CC1 323777075 487224503 /nfs/dbraw/zinc/22/45/03/487224503.db2.gz ZEHZFCWHCDIMAG-VXGBXAGGSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H]([NH2+][C@H]1CCN(CC)C1)C1CC1 323777074 487224755 /nfs/dbraw/zinc/22/47/55/487224755.db2.gz ZEHZFCWHCDIMAG-RYUDHWBXSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H]([NH2+][C@@H]1CCN(CC)C1)C1CC1 323777072 487224831 /nfs/dbraw/zinc/22/48/31/487224831.db2.gz ZEHZFCWHCDIMAG-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1CCC1 379316859 487237704 /nfs/dbraw/zinc/23/77/04/487237704.db2.gz CDVSXHOYWCISBC-YIZRAAEISA-N 2 0 170.300 1.500 10 0 ADAERP CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 379321163 487237293 /nfs/dbraw/zinc/23/72/93/487237293.db2.gz ZZYRKMZPYNHUFF-GUBZILKMSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CCC1 379316856 487237806 /nfs/dbraw/zinc/23/78/06/487237806.db2.gz CDVSXHOYWCISBC-CIUDSAMLSA-N 2 0 170.300 1.500 10 0 ADAERP CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 379321165 487237532 /nfs/dbraw/zinc/23/75/32/487237532.db2.gz ZZYRKMZPYNHUFF-LPEHRKFASA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)C1CCC1 379316857 487237574 /nfs/dbraw/zinc/23/75/74/487237574.db2.gz CDVSXHOYWCISBC-DJLDLDEBSA-N 2 0 170.300 1.500 10 0 ADAERP CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 379321164 487237654 /nfs/dbraw/zinc/23/76/54/487237654.db2.gz ZZYRKMZPYNHUFF-IVZWLZJFSA-N 2 0 170.300 1.373 10 0 ADAERP CC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 379321162 487237784 /nfs/dbraw/zinc/23/77/84/487237784.db2.gz ZZYRKMZPYNHUFF-AEJSXWLSSA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)C1CCC1 379316858 487237844 /nfs/dbraw/zinc/23/78/44/487237844.db2.gz CDVSXHOYWCISBC-XHNCKOQMSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCSC1 379328570 487238244 /nfs/dbraw/zinc/23/82/44/487238244.db2.gz QCGZQCGDWCINFY-IUCAKERBSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCSC1 379328571 487238282 /nfs/dbraw/zinc/23/82/82/487238282.db2.gz QCGZQCGDWCINFY-RKDXNWHRSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCSC1 379328569 487238640 /nfs/dbraw/zinc/23/86/40/487238640.db2.gz QCGZQCGDWCINFY-DTWKUNHWSA-N 2 0 188.340 1.066 10 0 ADAERP C[C@H](C[NH3+])C[NH2+][C@H]1CCCSC1 379328568 487238678 /nfs/dbraw/zinc/23/86/78/487238678.db2.gz QCGZQCGDWCINFY-BDAKNGLRSA-N 2 0 188.340 1.066 10 0 ADAERP CC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C 379347763 487238837 /nfs/dbraw/zinc/23/88/37/487238837.db2.gz IBUUOIPWEVCCLC-HBNTYKKESA-N 2 0 184.327 1.620 10 0 ADAERP CC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 379347762 487238941 /nfs/dbraw/zinc/23/89/41/487238941.db2.gz IBUUOIPWEVCCLC-GARJFASQSA-N 2 0 184.327 1.620 10 0 ADAERP CC[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C 379347761 487238986 /nfs/dbraw/zinc/23/89/86/487238986.db2.gz IBUUOIPWEVCCLC-DCAQKATOSA-N 2 0 184.327 1.620 10 0 ADAERP CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C 379346854 487239150 /nfs/dbraw/zinc/23/91/50/487239150.db2.gz GOMFQWMPKRIFAO-VWYCJHECSA-N 2 0 184.327 1.763 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C 379346853 487239199 /nfs/dbraw/zinc/23/91/99/487239199.db2.gz GOMFQWMPKRIFAO-OUAUKWLOSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C 379344520 487239204 /nfs/dbraw/zinc/23/92/04/487239204.db2.gz AHVYYOIVGQVVTD-LPEHRKFASA-N 2 0 186.343 1.994 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 379346852 487239233 /nfs/dbraw/zinc/23/92/33/487239233.db2.gz GOMFQWMPKRIFAO-GARJFASQSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C 379344519 487239267 /nfs/dbraw/zinc/23/92/67/487239267.db2.gz AHVYYOIVGQVVTD-KXUCPTDWSA-N 2 0 186.343 1.994 10 0 ADAERP CC[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C 379347760 487239286 /nfs/dbraw/zinc/23/92/86/487239286.db2.gz IBUUOIPWEVCCLC-AXFHLTTASA-N 2 0 184.327 1.620 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H](C)C(C)(C)C 379344518 487239342 /nfs/dbraw/zinc/23/93/42/487239342.db2.gz AHVYYOIVGQVVTD-GUBZILKMSA-N 2 0 186.343 1.994 10 0 ADAERP CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C 379346851 487239351 /nfs/dbraw/zinc/23/93/51/487239351.db2.gz GOMFQWMPKRIFAO-DCAQKATOSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C 379344521 487239365 /nfs/dbraw/zinc/23/93/65/487239365.db2.gz AHVYYOIVGQVVTD-UTLUCORTSA-N 2 0 186.343 1.994 10 0 ADAERP CC(C)C1([NH2+]C[C@H]2CCCN2C)CC1 379468567 487243401 /nfs/dbraw/zinc/24/34/01/487243401.db2.gz SNTDVNIWABTRAY-LLVKDONJSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 379505496 487244409 /nfs/dbraw/zinc/24/44/09/487244409.db2.gz ONIKJKOGVHMGDV-QJPTWQEYSA-N 2 0 198.354 1.949 10 0 ADAERP C[N@H+](CCC[NH3+])C[C@H]1C[C@@H]2C[C@@H]2C1 382063034 487249192 /nfs/dbraw/zinc/24/91/92/487249192.db2.gz NWCCBGOOYHECMS-JGPRNRPPSA-N 2 0 182.311 1.313 10 0 ADAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386107194 487256037 /nfs/dbraw/zinc/25/60/37/487256037.db2.gz JODIKTNRBHQGMY-DDHJBXDOSA-N 2 0 198.354 1.994 10 0 ADAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386107198 487256472 /nfs/dbraw/zinc/25/64/72/487256472.db2.gz JODIKTNRBHQGMY-WRWGMCAJSA-N 2 0 198.354 1.994 10 0 ADAERP CC(C)CCC[NH2+][C@H](C)[C@H](C)[NH3+] 388490426 487259577 /nfs/dbraw/zinc/25/95/77/487259577.db2.gz GMRBBOZWURGNKC-VHSXEESVSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)CCC[NH2+][C@@H](C)[C@@H](C)[NH3+] 388490427 487259746 /nfs/dbraw/zinc/25/97/46/487259746.db2.gz GMRBBOZWURGNKC-ZJUUUORDSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)CCC[NH2+][C@H](C)[C@@H](C)[NH3+] 388490424 487260071 /nfs/dbraw/zinc/26/00/71/487260071.db2.gz GMRBBOZWURGNKC-NXEZZACHSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)CCC[NH2+][C@@H](C)[C@H](C)[NH3+] 388490425 487260123 /nfs/dbraw/zinc/26/01/23/487260123.db2.gz GMRBBOZWURGNKC-UWVGGRQHSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 388753716 487261200 /nfs/dbraw/zinc/26/12/00/487261200.db2.gz CHEBQDZHVWUDPM-GHMZBOCLSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 388753726 487261245 /nfs/dbraw/zinc/26/12/45/487261245.db2.gz CHEBQDZHVWUDPM-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 388753729 487261424 /nfs/dbraw/zinc/26/14/24/487261424.db2.gz CHEBQDZHVWUDPM-WDEREUQCSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)CCC[N@@H+]1CC[C@H]([NH3+])[C@H]1C 388753721 487261581 /nfs/dbraw/zinc/26/15/81/487261581.db2.gz CHEBQDZHVWUDPM-MNOVXSKESA-N 2 0 184.327 1.844 10 0 ADAERP CCC[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 390056112 487264289 /nfs/dbraw/zinc/26/42/89/487264289.db2.gz IDDMGYZLYKIPJH-GHMZBOCLSA-N 2 0 196.338 1.907 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 390056115 487264332 /nfs/dbraw/zinc/26/43/32/487264332.db2.gz IDDMGYZLYKIPJH-WDEREUQCSA-N 2 0 196.338 1.907 10 0 ADAERP CCC[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 390056114 487264484 /nfs/dbraw/zinc/26/44/84/487264484.db2.gz IDDMGYZLYKIPJH-QWRGUYRKSA-N 2 0 196.338 1.907 10 0 ADAERP CCC[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 390056113 487264513 /nfs/dbraw/zinc/26/45/13/487264513.db2.gz IDDMGYZLYKIPJH-MNOVXSKESA-N 2 0 196.338 1.907 10 0 ADAERP CCC(CC)C[NH2+][C@H](C)[C@H](C)[NH3+] 393349472 487266071 /nfs/dbraw/zinc/26/60/71/487266071.db2.gz RWEUNGCCGZPPJT-DTWKUNHWSA-N 2 0 172.316 1.748 10 0 ADAERP CCC(CC)C[NH2+][C@H](C)[C@@H](C)[NH3+] 393349474 487266162 /nfs/dbraw/zinc/26/61/62/487266162.db2.gz RWEUNGCCGZPPJT-RKDXNWHRSA-N 2 0 172.316 1.748 10 0 ADAERP CCC(CC)C[NH2+][C@@H](C)[C@H](C)[NH3+] 393349473 487266169 /nfs/dbraw/zinc/26/61/69/487266169.db2.gz RWEUNGCCGZPPJT-IUCAKERBSA-N 2 0 172.316 1.748 10 0 ADAERP CCC(CC)C[NH2+][C@@H](C)[C@@H](C)[NH3+] 393349471 487266448 /nfs/dbraw/zinc/26/64/48/487266448.db2.gz RWEUNGCCGZPPJT-BDAKNGLRSA-N 2 0 172.316 1.748 10 0 ADAERP CC[C@@H]([NH2+]CCC[NH3+])[C@H]1CC1(C)C 397694991 487278791 /nfs/dbraw/zinc/27/87/91/487278791.db2.gz OBQQBTVRCKEVBW-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1CC1(C)C 397694995 487278539 /nfs/dbraw/zinc/27/85/39/487278539.db2.gz OBQQBTVRCKEVBW-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])[C@H]1CC1(C)C 397694996 487278549 /nfs/dbraw/zinc/27/85/49/487278549.db2.gz OBQQBTVRCKEVBW-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])[C@@H]1CC1(C)C 397694993 487278703 /nfs/dbraw/zinc/27/87/03/487278703.db2.gz OBQQBTVRCKEVBW-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP CN(C)C1(C[NH2+]CC2(C)CCC2)CC1 397825611 487280743 /nfs/dbraw/zinc/28/07/43/487280743.db2.gz WDBAAGGMPUDBMX-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)C1CC1 397989722 487281267 /nfs/dbraw/zinc/28/12/67/487281267.db2.gz HZZUTBOWGFPZSH-GXSJLCMTSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@@H]1C[C@@H](C[NH2+][C@H](C)C2CC2)CC[NH2+]1 398028239 487281280 /nfs/dbraw/zinc/28/12/80/487281280.db2.gz DCRKVBQLAYNYRE-MXWKQRLJSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+][C@H](C)CCC1CC1)[C@@H](C)[NH3+] 398045728 487281404 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/nfs/dbraw/zinc/33/31/69/487333169.db2.gz ZQWRUPBQBTWPEO-DTWKUNHWSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CC1(C)CC1 666718915 487333186 /nfs/dbraw/zinc/33/31/86/487333186.db2.gz ZQWRUPBQBTWPEO-BDAKNGLRSA-N 2 0 168.284 1.208 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@H]([NH3+])C(C)C 666741105 487333377 /nfs/dbraw/zinc/33/33/77/487333377.db2.gz SSDMYLYGLMSOMU-QWRGUYRKSA-N 2 0 186.343 1.996 10 0 ADAERP CCC[C@H](C)C[NH2+]C1CC[NH2+]CC1 666734247 487333408 /nfs/dbraw/zinc/33/34/08/487333408.db2.gz NUTSJMJGLLSCMH-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1(C)CC1 666718917 487333424 /nfs/dbraw/zinc/33/34/24/487333424.db2.gz ZQWRUPBQBTWPEO-IUCAKERBSA-N 2 0 168.284 1.208 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@@H]([NH3+])C(C)C 666741107 487333439 /nfs/dbraw/zinc/33/34/39/487333439.db2.gz SSDMYLYGLMSOMU-WDEREUQCSA-N 2 0 186.343 1.996 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1(C)CC1 666718918 487333476 /nfs/dbraw/zinc/33/34/76/487333476.db2.gz 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CCC[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]1 666783216 487339050 /nfs/dbraw/zinc/33/90/50/487339050.db2.gz GMWTZYBCNBBWIG-WDEREUQCSA-N 2 0 184.327 1.764 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]1 666783213 487339278 /nfs/dbraw/zinc/33/92/78/487339278.db2.gz GMWTZYBCNBBWIG-MNOVXSKESA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+]CCC[NH2+][C@@H]1CCCSC1 666807362 487339480 /nfs/dbraw/zinc/33/94/80/487339480.db2.gz JCIQZHHYTDYWPW-SECBINFHSA-N 2 0 188.340 1.081 10 0 ADAERP C[NH2+]CCC[NH2+][C@H]1CCCSC1 666807364 487339644 /nfs/dbraw/zinc/33/96/44/487339644.db2.gz JCIQZHHYTDYWPW-VIFPVBQESA-N 2 0 188.340 1.081 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@@H](C)C[NH3+] 666825952 487340320 /nfs/dbraw/zinc/34/03/20/487340320.db2.gz CLVYZPVWEOBRCD-UWVGGRQHSA-N 2 0 172.316 1.607 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@@H](C)C[NH3+] 666825954 487340569 /nfs/dbraw/zinc/34/05/69/487340569.db2.gz CLVYZPVWEOBRCD-ZJUUUORDSA-N 2 0 172.316 1.607 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@@H]([NH3+])CC 666910439 487348214 /nfs/dbraw/zinc/34/82/14/487348214.db2.gz MRFZOTLDOKBXDJ-UWVGGRQHSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@H](C)C[NH3+] 666825951 487340703 /nfs/dbraw/zinc/34/07/03/487340703.db2.gz CLVYZPVWEOBRCD-NXEZZACHSA-N 2 0 172.316 1.607 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@H](C)C[NH3+] 666825953 487340903 /nfs/dbraw/zinc/34/09/03/487340903.db2.gz CLVYZPVWEOBRCD-VHSXEESVSA-N 2 0 172.316 1.607 10 0 ADAERP CCC[C@H](C)C[NH2+]CC1([NH3+])CCC1 666828750 487341063 /nfs/dbraw/zinc/34/10/63/487341063.db2.gz JHZOIWZGRSDXIA-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@@H]([NH3+])C1CC1 666834251 487341535 /nfs/dbraw/zinc/34/15/35/487341535.db2.gz LGZIIEJGCWEJCN-GXSJLCMTSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H](CC[NH3+])[NH2+]CC1(C)CCC1 666833223 487341113 /nfs/dbraw/zinc/34/11/13/487341113.db2.gz WHSCSBGMKZLHED-SECBINFHSA-N 2 0 170.300 1.504 10 0 ADAERP CCC[C@@H](C)C[NH2+]CC1([NH3+])CCC1 666828751 487341272 /nfs/dbraw/zinc/34/12/72/487341272.db2.gz JHZOIWZGRSDXIA-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@@H]([NH3+])C1CC1 666834253 487341392 /nfs/dbraw/zinc/34/13/92/487341392.db2.gz LGZIIEJGCWEJCN-MWLCHTKSSA-N 2 0 184.327 1.750 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@H]([NH3+])C1CC1 666834252 487341440 /nfs/dbraw/zinc/34/14/40/487341440.db2.gz LGZIIEJGCWEJCN-KOLCDFICSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H](CC[NH3+])[NH2+]CC1(C)CCC1 666833224 487341452 /nfs/dbraw/zinc/34/14/52/487341452.db2.gz WHSCSBGMKZLHED-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@H]([NH3+])C1CC1 666834254 487341678 /nfs/dbraw/zinc/34/16/78/487341678.db2.gz LGZIIEJGCWEJCN-ONGXEEELSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CC[NH2+]C1 666845910 487342042 /nfs/dbraw/zinc/34/20/42/487342042.db2.gz FODBQMDKQRBRBM-VXGBXAGGSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 666845533 487342054 /nfs/dbraw/zinc/34/20/54/487342054.db2.gz CNDZEMGMUFTTJI-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 666845531 487342157 /nfs/dbraw/zinc/34/21/57/487342157.db2.gz CNDZEMGMUFTTJI-GRYCIOLGSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CC[NH2+]C1 666845908 487342173 /nfs/dbraw/zinc/34/21/73/487342173.db2.gz FODBQMDKQRBRBM-NWDGAFQWSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[NH2+]C1 666846006 487342230 /nfs/dbraw/zinc/34/22/30/487342230.db2.gz SVHMYVGCVMGXPF-ZYHUDNBSSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[NH2+]C1 666845909 487342261 /nfs/dbraw/zinc/34/22/61/487342261.db2.gz FODBQMDKQRBRBM-RYUDHWBXSA-N 2 0 198.354 1.868 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 666853949 487342270 /nfs/dbraw/zinc/34/22/70/487342270.db2.gz SAMCSTRCMHGCAV-DTWKUNHWSA-N 2 0 186.274 1.348 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(F)CC2)C1 666853950 487342274 /nfs/dbraw/zinc/34/22/74/487342274.db2.gz SAMCSTRCMHGCAV-IUCAKERBSA-N 2 0 186.274 1.348 10 0 ADAERP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 666845532 487342298 /nfs/dbraw/zinc/34/22/98/487342298.db2.gz CNDZEMGMUFTTJI-IJLUTSLNSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(F)CC2)C1 666853948 487342387 /nfs/dbraw/zinc/34/23/87/487342387.db2.gz SAMCSTRCMHGCAV-BDAKNGLRSA-N 2 0 186.274 1.348 10 0 ADAERP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[NH2+]C1 666845907 487342396 /nfs/dbraw/zinc/34/23/96/487342396.db2.gz FODBQMDKQRBRBM-NEPJUHHUSA-N 2 0 198.354 1.868 10 0 ADAERP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[NH2+]C1 666846004 487342398 /nfs/dbraw/zinc/34/23/98/487342398.db2.gz SVHMYVGCVMGXPF-JQWIXIFHSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[NH2+]C1 666845534 487342446 /nfs/dbraw/zinc/34/24/46/487342446.db2.gz CNDZEMGMUFTTJI-WOPDTQHZSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[NH2+]C1 666846003 487342461 /nfs/dbraw/zinc/34/24/61/487342461.db2.gz SVHMYVGCVMGXPF-CMPLNLGQSA-N 2 0 196.338 1.764 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 666853951 487342511 /nfs/dbraw/zinc/34/25/11/487342511.db2.gz SAMCSTRCMHGCAV-RKDXNWHRSA-N 2 0 186.274 1.348 10 0 ADAERP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[NH2+]C1 666846005 487342522 /nfs/dbraw/zinc/34/25/22/487342522.db2.gz SVHMYVGCVMGXPF-PWSUYJOCSA-N 2 0 196.338 1.764 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+]CC1(C)CCC1 666878541 487345759 /nfs/dbraw/zinc/34/57/59/487345759.db2.gz KHEAOPFKGSSQIF-SNVBAGLBSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCSC1 666911205 487348053 /nfs/dbraw/zinc/34/80/53/487348053.db2.gz HXJJLMLMNNEENP-BDAKNGLRSA-N 2 0 188.340 1.209 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCSC1 666911211 487348022 /nfs/dbraw/zinc/34/80/22/487348022.db2.gz HXJJLMLMNNEENP-RKDXNWHRSA-N 2 0 188.340 1.209 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@H]([NH3+])CC 666910438 487348206 /nfs/dbraw/zinc/34/82/06/487348206.db2.gz MRFZOTLDOKBXDJ-NXEZZACHSA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCSC1 666911209 487348363 /nfs/dbraw/zinc/34/83/63/487348363.db2.gz HXJJLMLMNNEENP-DTWKUNHWSA-N 2 0 188.340 1.209 10 0 ADAERP CCC[C@@H](C)C[NH2+]C[C@@H]([NH3+])CC 666910441 487348374 /nfs/dbraw/zinc/34/83/74/487348374.db2.gz MRFZOTLDOKBXDJ-ZJUUUORDSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@H](C)C[NH2+]C[C@H]([NH3+])CC 666910440 487348538 /nfs/dbraw/zinc/34/85/38/487348538.db2.gz MRFZOTLDOKBXDJ-VHSXEESVSA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H]1CCCSC1 666911210 487348652 /nfs/dbraw/zinc/34/86/52/487348652.db2.gz HXJJLMLMNNEENP-IUCAKERBSA-N 2 0 188.340 1.209 10 0 ADAERP C[C@H]([NH2+][C@H](C)CC1CCC1)[C@@H](C)[NH3+] 666931739 487348852 /nfs/dbraw/zinc/34/88/52/487348852.db2.gz UIKYPXQIHDNBBS-BBBLOLIVSA-N 2 0 184.327 1.890 10 0 ADAERP CCC[C@H](C)C[NH2+][C@H](C)[C@H](C)[NH3+] 666930266 487348964 /nfs/dbraw/zinc/34/89/64/487348964.db2.gz PDZWNXUQBZHWLW-LPEHRKFASA-N 2 0 172.316 1.748 10 0 ADAERP CCC[C@H](C)C[NH2+][C@@H](C)[C@H](C)[NH3+] 666930264 487349243 /nfs/dbraw/zinc/34/92/43/487349243.db2.gz PDZWNXUQBZHWLW-GUBZILKMSA-N 2 0 172.316 1.748 10 0 ADAERP CCC[C@H](C)C[NH2+][C@@H](C)[C@@H](C)[NH3+] 666930263 487349297 /nfs/dbraw/zinc/34/92/97/487349297.db2.gz PDZWNXUQBZHWLW-AEJSXWLSSA-N 2 0 172.316 1.748 10 0 ADAERP CCC[C@H](C)C[NH2+][C@H](C)[C@@H](C)[NH3+] 666930265 487349463 /nfs/dbraw/zinc/34/94/63/487349463.db2.gz PDZWNXUQBZHWLW-IVZWLZJFSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)C[C@H](C)C[NH2+][C@H](C)[C@H](C)[NH3+] 666931747 487349656 /nfs/dbraw/zinc/34/96/56/487349656.db2.gz VSNOMVZSKKHRCJ-GARJFASQSA-N 2 0 186.343 1.994 10 0 ADAERP C[C@@H](CCCC[NH3+])[NH2+]CC1(F)CC1 666935527 487349753 /nfs/dbraw/zinc/34/97/53/487349753.db2.gz NXNIPSBYCXOELX-VIFPVBQESA-N 2 0 188.290 1.596 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC1CCC1 666931740 487349782 /nfs/dbraw/zinc/34/97/82/487349782.db2.gz UIKYPXQIHDNBBS-KXUCPTDWSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H](CC1CCC1)[NH2+][C@H](C)[C@@H](C)[NH3+] 666931741 487349973 /nfs/dbraw/zinc/34/99/73/487349973.db2.gz UIKYPXQIHDNBBS-OPRDCNLKSA-N 2 0 184.327 1.890 10 0 ADAERP CC(C)C[C@H](C)C[NH2+][C@H](C)[C@@H](C)[NH3+] 666931748 487350017 /nfs/dbraw/zinc/35/00/17/487350017.db2.gz VSNOMVZSKKHRCJ-HBNTYKKESA-N 2 0 186.343 1.994 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC1CCC1 666931742 487350192 /nfs/dbraw/zinc/35/01/92/487350192.db2.gz UIKYPXQIHDNBBS-UTLUCORTSA-N 2 0 184.327 1.890 10 0 ADAERP CC(C)C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)[NH3+] 666931745 487350205 /nfs/dbraw/zinc/35/02/05/487350205.db2.gz VSNOMVZSKKHRCJ-AXFHLTTASA-N 2 0 186.343 1.994 10 0 ADAERP C[C@H](CCCC[NH3+])[NH2+]CC1(F)CC1 666935524 487350237 /nfs/dbraw/zinc/35/02/37/487350237.db2.gz NXNIPSBYCXOELX-SECBINFHSA-N 2 0 188.290 1.596 10 0 ADAERP CC(C)C[C@H](C)C[NH2+][C@@H](C)[C@H](C)[NH3+] 666931746 487350283 /nfs/dbraw/zinc/35/02/83/487350283.db2.gz VSNOMVZSKKHRCJ-DCAQKATOSA-N 2 0 186.343 1.994 10 0 ADAERP C1CC2(CC[NH2+]1)C[C@@H]2[NH2+]CC1CC1 666952042 487350647 /nfs/dbraw/zinc/35/06/47/487350647.db2.gz CSTFBWLIASFUBA-JTQLQIEISA-N 2 0 180.295 1.128 10 0 ADAERP C1CC2(CC[NH2+]1)C[C@H]2[NH2+]CC1CC1 666952043 487350630 /nfs/dbraw/zinc/35/06/30/487350630.db2.gz CSTFBWLIASFUBA-SNVBAGLBSA-N 2 0 180.295 1.128 10 0 ADAERP CC1(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCC1 666963989 487350906 /nfs/dbraw/zinc/35/09/06/487350906.db2.gz VLVFNPKGAATSDS-WDEREUQCSA-N 2 0 196.338 1.894 10 0 ADAERP CC1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CC1 666953767 487351165 /nfs/dbraw/zinc/35/11/65/487351165.db2.gz HISOTQDLBJIINA-JTQLQIEISA-N 2 0 194.322 1.518 10 0 ADAERP CC1(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCC1 666963986 487351233 /nfs/dbraw/zinc/35/12/33/487351233.db2.gz VLVFNPKGAATSDS-GHMZBOCLSA-N 2 0 196.338 1.894 10 0 ADAERP CC1(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CCC1 666963988 487351203 /nfs/dbraw/zinc/35/12/03/487351203.db2.gz VLVFNPKGAATSDS-QWRGUYRKSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[NH2+]C1 666992974 487352308 /nfs/dbraw/zinc/35/23/08/487352308.db2.gz OXEZWBMJDAMSDT-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCC1 666963987 487351416 /nfs/dbraw/zinc/35/14/16/487351416.db2.gz VLVFNPKGAATSDS-MNOVXSKESA-N 2 0 196.338 1.894 10 0 ADAERP CC1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 666953768 487351494 /nfs/dbraw/zinc/35/14/94/487351494.db2.gz HISOTQDLBJIINA-SNVBAGLBSA-N 2 0 194.322 1.518 10 0 ADAERP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 666992882 487351915 /nfs/dbraw/zinc/35/19/15/487351915.db2.gz BTGZHPCMSMEUOD-IJLUTSLNSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H](CC1CC1)[NH2+][C@H]1CCCC[NH2+]C1 666992942 487351955 /nfs/dbraw/zinc/35/19/55/487351955.db2.gz JGTKQSZSCLONBX-PWSUYJOCSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[NH2+]C1 666992943 487351964 /nfs/dbraw/zinc/35/19/64/487351964.db2.gz JGTKQSZSCLONBX-ZYHUDNBSSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[NH2+]C1 666992978 487351970 /nfs/dbraw/zinc/35/19/70/487351970.db2.gz OXEZWBMJDAMSDT-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP 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BHWUEUOUUMMPII-SNVBAGLBSA-N 2 0 186.274 1.174 10 0 ADAERP [NH3+]Cc1cccc([C@@H]([NH3+])CF)c1 757136057 582460139 /nfs/dbraw/zinc/46/01/39/582460139.db2.gz YODHJWHXXIDCHW-VIFPVBQESA-N 2 0 168.215 1.115 10 0 ADAERP [NH3+]Cc1cccc([C@H]([NH3+])CF)c1 757136056 582460165 /nfs/dbraw/zinc/46/01/65/582460165.db2.gz YODHJWHXXIDCHW-SECBINFHSA-N 2 0 168.215 1.115 10 0 ADAERP CC1(C)C[C@@H]1CCCN1CC[C@@H]1C[NH3+] 757146426 582465075 /nfs/dbraw/zinc/46/50/75/582465075.db2.gz NOOJSSQPKVWMOZ-WDEREUQCSA-N 2 0 196.338 1.846 10 0 ADAERP CC[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C)O2 757139774 582461383 /nfs/dbraw/zinc/46/13/83/582461383.db2.gz HRACQVABYQAZEK-SNVBAGLBSA-N 2 0 198.310 1.197 10 0 ADAERP CC[NH+]1CCC2(CC1)[NH2+]CC[C@H](C)O2 757139771 582461519 /nfs/dbraw/zinc/46/15/19/582461519.db2.gz HRACQVABYQAZEK-JTQLQIEISA-N 2 0 198.310 1.197 10 0 ADAERP C[C@H]1CC[NH2+][C@]2(CCC[N@H+](C)CC2)O1 757143225 582463026 /nfs/dbraw/zinc/46/30/26/582463026.db2.gz MIFRSRATXSQUFV-WDEREUQCSA-N 2 0 198.310 1.197 10 0 ADAERP 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582465136 /nfs/dbraw/zinc/46/51/36/582465136.db2.gz NRXGLYXIRONCPP-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP Cc1cc(N2CC[C@@H]2C[NH3+])cc(C)[nH+]1 757147032 582465150 /nfs/dbraw/zinc/46/51/50/582465150.db2.gz PERXKTPXRMWLOG-SNVBAGLBSA-N 2 0 191.278 1.236 10 0 ADAERP CC1(C)C[C@@H]1CCCN1CC[C@H]1C[NH3+] 757146425 582465433 /nfs/dbraw/zinc/46/54/33/582465433.db2.gz NOOJSSQPKVWMOZ-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP CC1(CCCN2CC[C@H]2C[NH3+])CC1 757146458 582465545 /nfs/dbraw/zinc/46/55/45/582465545.db2.gz NRXGLYXIRONCPP-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)=C(C)CCN1CC[C@@H]1C[NH3+] 757149153 582465845 /nfs/dbraw/zinc/46/58/45/582465845.db2.gz YIZOJHUSHFMQID-LLVKDONJSA-N 2 0 182.311 1.766 10 0 ADAERP CC(C)=C(C)CCN1CC[C@H]1C[NH3+] 757149154 582466092 /nfs/dbraw/zinc/46/60/92/582466092.db2.gz YIZOJHUSHFMQID-NSHDSACASA-N 2 0 182.311 1.766 10 0 ADAERP C[C@H]1C[C@@H](C)[NH2+]C2(CC[NH+](C)CC2)O1 757153795 582467416 /nfs/dbraw/zinc/46/74/16/582467416.db2.gz 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/nfs/dbraw/zinc/52/52/00/582525200.db2.gz CXXVSIYHCOKFMC-RYUDHWBXSA-N 2 0 196.338 1.847 10 0 ADAERP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc[nH]1 895441061 582528594 /nfs/dbraw/zinc/52/85/94/582528594.db2.gz XUNRJBVLTHBVAY-ZJUUUORDSA-N 2 0 197.257 1.780 10 0 ADAERP CC(C)[NH2+]CCC1=CC[NH2+]CC1 231463743 582535251 /nfs/dbraw/zinc/53/52/51/582535251.db2.gz HBIJTIDESYNEAX-UHFFFAOYSA-N 2 0 168.284 1.294 10 0 ADAERP CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 148741951 582549075 /nfs/dbraw/zinc/54/90/75/582549075.db2.gz OGIQZLBPKRNYDK-QWRGUYRKSA-N 2 0 184.327 1.988 10 0 ADAERP C1CC[NH+]([C@@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 263617223 582552587 /nfs/dbraw/zinc/55/25/87/582552587.db2.gz MTYCQQIZRUSGHR-GDNZZTSVSA-N 2 0 194.322 1.755 10 0 ADAERP C1CC[NH+]([C@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 263617224 582552676 /nfs/dbraw/zinc/55/26/76/582552676.db2.gz MTYCQQIZRUSGHR-ZSBIGDGJSA-N 2 0 194.322 1.755 10 0 ADAERP C1CC[NH+]([C@@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 263617550 582552737 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903483726 582625785 /nfs/dbraw/zinc/62/57/85/582625785.db2.gz KWPZHBATDDZGBE-SECBINFHSA-N 2 0 168.284 1.271 10 0 ADAERP CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 903487665 582625787 /nfs/dbraw/zinc/62/57/87/582625787.db2.gz INRGXJQZSXZCSK-SNVBAGLBSA-N 2 0 182.311 1.661 10 0 ADAERP CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 903466491 582625796 /nfs/dbraw/zinc/62/57/96/582625796.db2.gz ULXBIZBNCJDRSZ-JTQLQIEISA-N 2 0 182.311 1.661 10 0 ADAERP CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 903465401 582625843 /nfs/dbraw/zinc/62/58/43/582625843.db2.gz IJYIUCVIGMEFNM-SECBINFHSA-N 2 0 168.284 1.271 10 0 ADAERP CCC[NH2+][C@H]1CC[NH2+]C12CCC2 903465403 582625942 /nfs/dbraw/zinc/62/59/42/582625942.db2.gz IJYIUCVIGMEFNM-VIFPVBQESA-N 2 0 168.284 1.271 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CC1CCCCC1 903960739 582629716 /nfs/dbraw/zinc/62/97/16/582629716.db2.gz XHMDKPGPZGQMCF-ZYHUDNBSSA-N 2 0 196.338 1.764 10 0 ADAERP CCC(C)(C)[NH2+]C[C@H](N)CC(F)F 903898074 582629883 /nfs/dbraw/zinc/62/98/83/582629883.db2.gz 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/nfs/dbraw/zinc/95/07/52/582950752.db2.gz ALPWODVFGJGELF-OPRDCNLKSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]1C[C@@H]([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 757229983 582955740 /nfs/dbraw/zinc/95/57/40/582955740.db2.gz FNWZMUPXXWAQSR-RHYQMDGZSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]([C@H]2CCC[NH2+]C2)C1 757212696 582950806 /nfs/dbraw/zinc/95/08/06/582950806.db2.gz JPAHSJGYNBBEOV-VWYCJHECSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@@H]1C[C@@H](C)[C@@H]([NH3+])C[NH2+]1 757208657 582950844 /nfs/dbraw/zinc/95/08/44/582950844.db2.gz ALPWODVFGJGELF-BBBLOLIVSA-N 2 0 170.300 1.358 10 0 ADAERP Nc1cccc([C@H]2C[C@@H]([NH3+])CC[NH2+]2)c1 757209885 582950994 /nfs/dbraw/zinc/95/09/94/582950994.db2.gz DJSACONSDNLKQZ-WDEREUQCSA-N 2 0 191.278 1.021 10 0 ADAERP CC(C)C[C@@H]1C[C@H](C)[C@H]([NH3+])C[NH2+]1 757208658 582951092 /nfs/dbraw/zinc/95/10/92/582951092.db2.gz ALPWODVFGJGELF-IVZWLZJFSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1ccsc1 757209744 582951346 /nfs/dbraw/zinc/95/13/46/582951346.db2.gz CFHMIZFBMPGRFR-WCBMZHEXSA-N 2 0 196.319 1.748 10 0 ADAERP CCCC[C@H]1[NH2+]CCC[C@H]1C[NH3+] 757212527 582951391 /nfs/dbraw/zinc/95/13/91/582951391.db2.gz IQIJNPXZHVLSGJ-VHSXEESVSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 757211699 582951407 /nfs/dbraw/zinc/95/14/07/582951407.db2.gz IMLCAYRSWLFYKH-WRWGMCAJSA-N 2 0 196.338 1.763 10 0 ADAERP CCCC[C@@H]1[NH2+]CCC[C@@H]1C[NH3+] 757212530 582951439 /nfs/dbraw/zinc/95/14/39/582951439.db2.gz IQIJNPXZHVLSGJ-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP CCCC[C@H]1[NH2+]CCC[C@@H]1[NH3+] 757214343 582951640 /nfs/dbraw/zinc/95/16/40/582951640.db2.gz LZXYDIMTQGFRQC-DTWKUNHWSA-N 2 0 156.273 1.256 10 0 ADAERP C[C@H]1[NH2+]CCC[C@H]1C1CC[NH2+]CC1 757212799 582951646 /nfs/dbraw/zinc/95/16/46/582951646.db2.gz JSYGUBBMXNWMMV-MWLCHTKSSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1[NH2+]CCC[C@H]1[NH3+] 757214332 582951660 /nfs/dbraw/zinc/95/16/60/582951660.db2.gz LZXYDIMTQGFRQC-BDAKNGLRSA-N 2 0 156.273 1.256 10 0 ADAERP CCCC[C@@H]1[NH2+][C@@H](C)CC[C@H]1[NH3+] 757212380 582951693 /nfs/dbraw/zinc/95/16/93/582951693.db2.gz INJHXEZKKQDQBM-AEJSXWLSSA-N 2 0 170.300 1.644 10 0 ADAERP CCCC[C@@H]1[NH2+]CCC[C@@H]1[NH3+] 757214349 582951708 /nfs/dbraw/zinc/95/17/08/582951708.db2.gz LZXYDIMTQGFRQC-IUCAKERBSA-N 2 0 156.273 1.256 10 0 ADAERP CCCC[C@@H]1[NH2+][C@@H](C)CC[C@@H]1[NH3+] 757212382 582951759 /nfs/dbraw/zinc/95/17/59/582951759.db2.gz INJHXEZKKQDQBM-GUBZILKMSA-N 2 0 170.300 1.644 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1C[NH3+] 757212362 582951811 /nfs/dbraw/zinc/95/18/11/582951811.db2.gz IMLLBNHEYGRWOW-USZNOCQGSA-N 2 0 198.354 1.994 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]([C@H]2CCC[NH2+]C2)C1 757212667 582951870 /nfs/dbraw/zinc/95/18/70/582951870.db2.gz JPAHSJGYNBBEOV-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCC[NH2+]C2)C1 757212663 582951889 /nfs/dbraw/zinc/95/18/89/582951889.db2.gz JPAHSJGYNBBEOV-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CC[C@H](C2CC[NH2+]CC2)C[NH2+]1 757213720 582951911 /nfs/dbraw/zinc/95/19/11/582951911.db2.gz LPTRVIYTDHUGOZ-KOLCDFICSA-N 2 0 182.311 1.374 10 0 ADAERP CC[C@@H]1[NH2+][C@H](C)CC[C@H]1C[NH3+] 757216657 582951915 /nfs/dbraw/zinc/95/19/15/582951915.db2.gz QMHYJOWLIPXQLL-VGMNWLOBSA-N 2 0 156.273 1.112 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1C[NH3+] 757212363 582951920 /nfs/dbraw/zinc/95/19/20/582951920.db2.gz IMLLBNHEYGRWOW-WYUUTHIRSA-N 2 0 198.354 1.994 10 0 ADAERP C[C@H]1CC[NH2+]C[C@H]1C1CC[NH2+]CC1 757213663 582951923 /nfs/dbraw/zinc/95/19/23/582951923.db2.gz LKTWIZDWXSQULV-GXSJLCMTSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H]1CC[NH2+]C[C@H]1C1CC[NH2+]CC1 757213666 582951945 /nfs/dbraw/zinc/95/19/45/582951945.db2.gz LKTWIZDWXSQULV-MWLCHTKSSA-N 2 0 182.311 1.232 10 0 ADAERP CCCC[C@H]1[NH2+]CCC[C@H]1[NH3+] 757214352 582951951 /nfs/dbraw/zinc/95/19/51/582951951.db2.gz LZXYDIMTQGFRQC-RKDXNWHRSA-N 2 0 156.273 1.256 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1C1CC[NH2+]CC1 757212801 582951960 /nfs/dbraw/zinc/95/19/60/582951960.db2.gz JSYGUBBMXNWMMV-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1[NH2+][C@H](C)CC[C@H]1[NH3+] 757212381 582951984 /nfs/dbraw/zinc/95/19/84/582951984.db2.gz INJHXEZKKQDQBM-BBBLOLIVSA-N 2 0 170.300 1.644 10 0 ADAERP CC(C)C[C@H]1CC[C@H]([NH3+])C[NH2+]1 757216642 582952062 /nfs/dbraw/zinc/95/20/62/582952062.db2.gz PPOBBTBWAOMNOW-DTWKUNHWSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]1[NH2+]CCC[C@@H]1C1CC[NH2+]CC1 757212798 582952087 /nfs/dbraw/zinc/95/20/87/582952087.db2.gz JSYGUBBMXNWMMV-KOLCDFICSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CC[NH2+]C[C@@H]1C1CC[NH2+]CC1 757213665 582952156 /nfs/dbraw/zinc/95/21/56/582952156.db2.gz LKTWIZDWXSQULV-KOLCDFICSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1C1CC[NH2+]CC1 757212797 582952188 /nfs/dbraw/zinc/95/21/88/582952188.db2.gz JSYGUBBMXNWMMV-GXSJLCMTSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1[NH2+][C@H](C)CC[C@@H]1[NH3+] 757212383 582952190 /nfs/dbraw/zinc/95/21/90/582952190.db2.gz INJHXEZKKQDQBM-UTLUCORTSA-N 2 0 170.300 1.644 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]([C@@H]2CCC[NH2+]C2)C1 757212665 582952261 /nfs/dbraw/zinc/95/22/61/582952261.db2.gz JPAHSJGYNBBEOV-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H]1CC[NH2+]C[C@@H]1C1CC[NH2+]CC1 757213669 582952402 /nfs/dbraw/zinc/95/24/02/582952402.db2.gz LKTWIZDWXSQULV-ONGXEEELSA-N 2 0 182.311 1.232 10 0 ADAERP C[C@H]1CC[C@@H](C2CC[NH2+]CC2)C[NH2+]1 757213714 582952405 /nfs/dbraw/zinc/95/24/05/582952405.db2.gz LPTRVIYTDHUGOZ-GXSJLCMTSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH3+] 757213318 582952435 /nfs/dbraw/zinc/95/24/35/582952435.db2.gz JGXXSGRFZIIANF-UTLUCORTSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]1CC[C@@H](C2CC[NH2+]CC2)C[NH2+]1 757213722 582952470 /nfs/dbraw/zinc/95/24/70/582952470.db2.gz LPTRVIYTDHUGOZ-MWLCHTKSSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@H]1[NH2+]CCC[C@@H]1C[NH3+] 757212516 582952475 /nfs/dbraw/zinc/95/24/75/582952475.db2.gz IQIJNPXZHVLSGJ-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP CCCC[C@@H]1[NH2+]CCC[C@H]1C[NH3+] 757212524 582952478 /nfs/dbraw/zinc/95/24/78/582952478.db2.gz IQIJNPXZHVLSGJ-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@@H]1C[NH3+] 757215130 582952482 /nfs/dbraw/zinc/95/24/82/582952482.db2.gz MPOCORCYUYZBMY-MXWKQRLJSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]1CC[C@H](C2CC[NH2+]CC2)C[NH2+]1 757213733 582952493 /nfs/dbraw/zinc/95/24/93/582952493.db2.gz LPTRVIYTDHUGOZ-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1CC[C@H]([NH3+])C[NH2+]1 757215870 582952593 /nfs/dbraw/zinc/95/25/93/582952593.db2.gz NXWQCVFIOQWBNW-DTWKUNHWSA-N 2 0 156.273 1.256 10 0 ADAERP C[C@H]1C[C@@H](C2CC[NH2+]CC2)[NH2+][C@H](C)C1 757216504 582952626 /nfs/dbraw/zinc/95/26/26/582952626.db2.gz PZBZGSBNKRESMG-FOGDFJRCSA-N 2 0 196.338 1.763 10 0 ADAERP CCCC[C@H]1CC[C@H]([NH3+])C[NH2+]1 757215874 582952670 /nfs/dbraw/zinc/95/26/70/582952670.db2.gz NXWQCVFIOQWBNW-IUCAKERBSA-N 2 0 156.273 1.256 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@@H]1C[NH3+] 757215124 582952696 /nfs/dbraw/zinc/95/26/96/582952696.db2.gz MPOCORCYUYZBMY-AXFHLTTASA-N 2 0 184.327 1.748 10 0 ADAERP CCCC[C@@H]1CC[C@H](CC[NH3+])C[NH2+]1 757216744 582952715 /nfs/dbraw/zinc/95/27/15/582952715.db2.gz PZZQBFOATBIBDU-GHMZBOCLSA-N 2 0 184.327 1.894 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@H]1C[NH3+] 757215128 582952827 /nfs/dbraw/zinc/95/28/27/582952827.db2.gz MPOCORCYUYZBMY-DCAQKATOSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 757215323 582952835 /nfs/dbraw/zinc/95/28/35/582952835.db2.gz NQZJGGNADATRJF-KOLCDFICSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C2CC[NH2+]CC2)C1 757216503 582952887 /nfs/dbraw/zinc/95/28/87/582952887.db2.gz PZBZGSBNKRESMG-CKYFFXLPSA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)C[C@@H]1CC[C@@H]([NH3+])C[NH2+]1 757216640 582952903 /nfs/dbraw/zinc/95/29/03/582952903.db2.gz PPOBBTBWAOMNOW-BDAKNGLRSA-N 2 0 156.273 1.112 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H](c2ccsc2)[NH2+]C1 757217964 582952922 /nfs/dbraw/zinc/95/29/22/582952922.db2.gz UBMPDQSVZRPBAW-SCZZXKLOSA-N 2 0 196.319 1.748 10 0 ADAERP CC(C)C[C@@H]1CC[C@H]([NH3+])C[NH2+]1 757216645 582952946 /nfs/dbraw/zinc/95/29/46/582952946.db2.gz PPOBBTBWAOMNOW-IUCAKERBSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@@H]1[NH2+][C@@H](C)CC[C@H]1C[NH3+] 757216649 582952968 /nfs/dbraw/zinc/95/29/68/582952968.db2.gz QMHYJOWLIPXQLL-CIUDSAMLSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 757215333 582952988 /nfs/dbraw/zinc/95/29/88/582952988.db2.gz NQZJGGNADATRJF-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1CC[C@@H](CC[NH3+])C[NH2+]1 757216764 582952990 /nfs/dbraw/zinc/95/29/90/582952990.db2.gz PZZQBFOATBIBDU-WDEREUQCSA-N 2 0 184.327 1.894 10 0 ADAERP [NH3+][C@@H]1CC[NH2+][C@H](c2ccsc2)C1 757216815 582953003 /nfs/dbraw/zinc/95/30/03/582953003.db2.gz QETSLFXHVRIUTL-BDAKNGLRSA-N 2 0 182.292 1.500 10 0 ADAERP CCCC[C@H]1CC[C@@H](CC[NH3+])C[NH2+]1 757216758 582953037 /nfs/dbraw/zinc/95/30/37/582953037.db2.gz PZZQBFOATBIBDU-QWRGUYRKSA-N 2 0 184.327 1.894 10 0 ADAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](c2cccs2)C1 757215879 582953051 /nfs/dbraw/zinc/95/30/51/582953051.db2.gz NZSAPRJSAKQGJR-BDAKNGLRSA-N 2 0 196.319 1.400 10 0 ADAERP CC(C)C[C@@H]1CC[C@H](CC[NH3+])C[NH2+]1 757214889 582953069 /nfs/dbraw/zinc/95/30/69/582953069.db2.gz MCALOUIVQVFDIW-MNOVXSKESA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1[NH2+][C@H](C)CC[C@@H]1C[NH3+] 757216651 582953082 /nfs/dbraw/zinc/95/30/82/582953082.db2.gz QMHYJOWLIPXQLL-HLTSFMKQSA-N 2 0 156.273 1.112 10 0 ADAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](c2cccs2)C1 757215885 582953100 /nfs/dbraw/zinc/95/31/00/582953100.db2.gz NZSAPRJSAKQGJR-IUCAKERBSA-N 2 0 196.319 1.400 10 0 ADAERP [NH3+][C@H]1CC[NH2+][C@@H](c2ccsc2)C1 757216818 582953133 /nfs/dbraw/zinc/95/31/33/582953133.db2.gz QETSLFXHVRIUTL-DTWKUNHWSA-N 2 0 182.292 1.500 10 0 ADAERP [NH3+]C[C@H]1C[NH2+]C[C@H](c2cccs2)C1 757215882 582953183 /nfs/dbraw/zinc/95/31/83/582953183.db2.gz NZSAPRJSAKQGJR-DTWKUNHWSA-N 2 0 196.319 1.400 10 0 ADAERP CC(C)C[C@H]1CC[C@@H](CC[NH3+])C[NH2+]1 757214936 582953203 /nfs/dbraw/zinc/95/32/03/582953203.db2.gz MCALOUIVQVFDIW-WDEREUQCSA-N 2 0 184.327 1.750 10 0 ADAERP CCCC[C@@H]1CC[C@@H]([NH3+])C[NH2+]1 757215876 582953214 /nfs/dbraw/zinc/95/32/14/582953214.db2.gz NXWQCVFIOQWBNW-RKDXNWHRSA-N 2 0 156.273 1.256 10 0 ADAERP C[C@H]1C[C@@H](C)C[C@H](C2CC[NH2+]CC2)[NH2+]1 757216505 582953252 /nfs/dbraw/zinc/95/32/52/582953252.db2.gz PZBZGSBNKRESMG-JFGNBEQYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 757215321 582953309 /nfs/dbraw/zinc/95/33/09/582953309.db2.gz NQZJGGNADATRJF-GXSJLCMTSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@H]1CC[C@@H]([NH3+])C[NH2+]1 757215866 582953331 /nfs/dbraw/zinc/95/33/31/582953331.db2.gz NXWQCVFIOQWBNW-BDAKNGLRSA-N 2 0 156.273 1.256 10 0 ADAERP [NH3+]C[C@H]1CC[C@H](c2ccsc2)[NH2+]C1 757217962 582953386 /nfs/dbraw/zinc/95/33/86/582953386.db2.gz UBMPDQSVZRPBAW-PSASIEDQSA-N 2 0 196.319 1.748 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 757215326 582953477 /nfs/dbraw/zinc/95/34/77/582953477.db2.gz NQZJGGNADATRJF-MWLCHTKSSA-N 2 0 182.311 1.374 10 0 ADAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](c2cccs2)C1 757215889 582953484 /nfs/dbraw/zinc/95/34/84/582953484.db2.gz NZSAPRJSAKQGJR-RKDXNWHRSA-N 2 0 196.319 1.400 10 0 ADAERP CCCC[C@H]1CC[C@H](CC[NH3+])C[NH2+]1 757216756 582953521 /nfs/dbraw/zinc/95/35/21/582953521.db2.gz PZZQBFOATBIBDU-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP CC(C)C[C@H]1CC[C@@H]([NH3+])C[NH2+]1 757216648 582953528 /nfs/dbraw/zinc/95/35/28/582953528.db2.gz PPOBBTBWAOMNOW-RKDXNWHRSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@@H]1[NH2+][C@@H](C)CC[C@@H]1C[NH3+] 757216661 582953543 /nfs/dbraw/zinc/95/35/43/582953543.db2.gz QMHYJOWLIPXQLL-YIZRAAEISA-N 2 0 156.273 1.112 10 0 ADAERP CC(C)C[C@@H]1CC[C@@H](CC[NH3+])C[NH2+]1 757214922 582953548 /nfs/dbraw/zinc/95/35/48/582953548.db2.gz MCALOUIVQVFDIW-QWRGUYRKSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]1C[C@@H](C)C[C@@H](C2CC[NH2+]CC2)[NH2+]1 757216509 582953555 /nfs/dbraw/zinc/95/35/55/582953555.db2.gz PZBZGSBNKRESMG-SCVCMEIPSA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)C[C@H]1CC[C@H](CC[NH3+])C[NH2+]1 757214849 582953563 /nfs/dbraw/zinc/95/35/63/582953563.db2.gz MCALOUIVQVFDIW-GHMZBOCLSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1[C@@H]1CCC[NH2+]C1 757218118 582954044 /nfs/dbraw/zinc/95/40/44/582954044.db2.gz TTXUXONDRQUUBP-AXFHLTTASA-N 2 0 182.311 1.374 10 0 ADAERP [NH3+]C[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 757217300 582953805 /nfs/dbraw/zinc/95/38/05/582953805.db2.gz RRHAWSZYXWRJRR-ZYHUDNBSSA-N 2 0 190.290 1.686 10 0 ADAERP C[C@@H]1CC[C@@H]([C@H]2CCC[NH2+]C2)[NH2+]C1 757217683 582953821 /nfs/dbraw/zinc/95/38/21/582953821.db2.gz RXWFCYHCXVHTJO-VWYCJHECSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@@H]1[NH2+]CC[C@H](C)[C@H]1[NH3+] 757218995 582953859 /nfs/dbraw/zinc/95/38/59/582953859.db2.gz XMGYFBPNAHKQKS-LPEHRKFASA-N 2 0 170.300 1.358 10 0 ADAERP C[C@@H]1C[NH2+][C@H]([C@@H]2CCC[NH2+]C2)[C@@H](C)C1 757218125 582953898 /nfs/dbraw/zinc/95/38/98/582953898.db2.gz TUHMQWNCOGTAKN-YFKTTZPYSA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@H](C)C[C@@H]1[NH3+] 757218500 582953922 /nfs/dbraw/zinc/95/39/22/582953922.db2.gz VJIQTFKTIRVQDW-UTLUCORTSA-N 2 0 170.300 1.502 10 0 ADAERP CCCC[C@H]1C[C@@H](C[NH3+])CC[NH2+]1 757218797 582953946 /nfs/dbraw/zinc/95/39/46/582953946.db2.gz XAWDKYHGZLELIT-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1[C@H]1CCC[NH2+]C1 757218119 582953953 /nfs/dbraw/zinc/95/39/53/582953953.db2.gz TTXUXONDRQUUBP-DCAQKATOSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)[NH2+]C1 757217682 582953979 /nfs/dbraw/zinc/95/39/79/582953979.db2.gz RXWFCYHCXVHTJO-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1C[NH2+][C@H]([C@H]2CCC[NH2+]C2)[C@@H](C)C1 757218122 582953985 /nfs/dbraw/zinc/95/39/85/582953985.db2.gz TUHMQWNCOGTAKN-BJDJZHNGSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CCC[NH2+]C1 757219301 582953992 /nfs/dbraw/zinc/95/39/92/582953992.db2.gz WSUNDZGZZMPVNR-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1CC[C@@H]([NH3+])[C@H](C)[NH2+]1 757217530 582953998 /nfs/dbraw/zinc/95/39/98/582953998.db2.gz RYALTONKEOMNOI-IVZWLZJFSA-N 2 0 170.300 1.644 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@@H]1[NH3+] 757218365 582954005 /nfs/dbraw/zinc/95/40/05/582954005.db2.gz UXWVLKDJFQQTRT-UTLUCORTSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@@H]1C[NH2+][C@@H](C2CC[NH2+]CC2)[C@@H](C)C1 757219317 582954007 /nfs/dbraw/zinc/95/40/07/582954007.db2.gz WTUHQOUZBKNSMN-JBLDHEPKSA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[NH2+]1 757217536 582954008 /nfs/dbraw/zinc/95/40/08/582954008.db2.gz RYALTONKEOMNOI-OPRDCNLKSA-N 2 0 170.300 1.644 10 0 ADAERP CCCC[C@@H]1C[C@@H](C)[C@@H]([NH3+])C[NH2+]1 757216837 582954012 /nfs/dbraw/zinc/95/40/12/582954012.db2.gz QFNMQAUJTVYABR-BBBLOLIVSA-N 2 0 170.300 1.502 10 0 ADAERP CC[C@H]1CC[C@H](CC[NH3+])C[NH2+]1 757219868 582954017 /nfs/dbraw/zinc/95/40/17/582954017.db2.gz XOVYCHUNDMQYRB-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1C[NH3+] 757218258 582954023 /nfs/dbraw/zinc/95/40/23/582954023.db2.gz URSZYAPAFQGBKO-JXUBOQSCSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@@H]1C[NH2+][C@H]([C@@H]2CCC[NH2+]C2)[C@H](C)C1 757218123 582954059 /nfs/dbraw/zinc/95/40/59/582954059.db2.gz TUHMQWNCOGTAKN-QCNOEVLYSA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[C@@H]1[NH2+][C@@H](C)CC[C@H]1C[NH3+] 757219860 582954062 /nfs/dbraw/zinc/95/40/62/582954062.db2.gz ZCJXDXCAASDWCH-DCAQKATOSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2CCC[C@@H](C)[NH2+]2)CC[NH2+]1 757229372 582954068 /nfs/dbraw/zinc/95/40/68/582954068.db2.gz DXTXZOXXSVRFEW-DDHJBXDOSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)C[NH2+]1 757219395 582954074 /nfs/dbraw/zinc/95/40/74/582954074.db2.gz WZCMNRSJYZOFQQ-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@@H]1C 757218829 582954087 /nfs/dbraw/zinc/95/40/87/582954087.db2.gz XHEGVQUEZLRBPS-GUBZILKMSA-N 2 0 170.300 1.358 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@H]1C 757219380 582954099 /nfs/dbraw/zinc/95/40/99/582954099.db2.gz YFFIOGXYUHBQAD-UTLUCORTSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+][C@@H]1CC[NH2+][C@@H](c2ccsc2)C1 757216821 582954111 /nfs/dbraw/zinc/95/41/11/582954111.db2.gz QETSLFXHVRIUTL-RKDXNWHRSA-N 2 0 182.292 1.500 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@H]([NH3+])C[C@@H]1C 757219374 582954130 /nfs/dbraw/zinc/95/41/30/582954130.db2.gz YFFIOGXYUHBQAD-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H]1CCC[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]1 757229378 582954135 /nfs/dbraw/zinc/95/41/35/582954135.db2.gz DXTXZOXXSVRFEW-IRCOFANPSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1[C@@H]1CCC[NH2+]C1 757219297 582954142 /nfs/dbraw/zinc/95/41/42/582954142.db2.gz WSUNDZGZZMPVNR-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]C2)C[NH2+]1 757219386 582954170 /nfs/dbraw/zinc/95/41/70/582954170.db2.gz WZCMNRSJYZOFQQ-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] 757218981 582954202 /nfs/dbraw/zinc/95/42/02/582954202.db2.gz XMGYFBPNAHKQKS-KXUCPTDWSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+]C[C@@H]1CC[NH2+][C@H](c2ccsc2)C1 757217474 582954209 /nfs/dbraw/zinc/95/42/09/582954209.db2.gz RVBYVPZNOMPRJF-SCZZXKLOSA-N 2 0 196.319 1.748 10 0 ADAERP C[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)C[NH2+]1 757219409 582954218 /nfs/dbraw/zinc/95/42/18/582954218.db2.gz WZCMNRSJYZOFQQ-VWYCJHECSA-N 2 0 182.311 1.374 10 0 ADAERP [NH3+]C[C@H]1CC[NH2+][C@H](c2ccsc2)C1 757217478 582954221 /nfs/dbraw/zinc/95/42/21/582954221.db2.gz RVBYVPZNOMPRJF-WPRPVWTQSA-N 2 0 196.319 1.748 10 0 ADAERP C[C@@H]1C[NH2+][C@@H](C2CC[NH2+]CC2)[C@H](C)C1 757219314 582954239 /nfs/dbraw/zinc/95/42/39/582954239.db2.gz WTUHQOUZBKNSMN-HOSYDEDBSA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[C@@H]1[NH2+][C@H](C)CC[C@@H]1C[NH3+] 757219862 582954247 /nfs/dbraw/zinc/95/42/47/582954247.db2.gz ZCJXDXCAASDWCH-MXWKQRLJSA-N 2 0 184.327 1.892 10 0 ADAERP CCCC[C@H]1C[C@@H]([NH3+])CC[NH2+]1 757219669 582954260 /nfs/dbraw/zinc/95/42/60/582954260.db2.gz ZBGHQXMDNUXEJO-IUCAKERBSA-N 2 0 156.273 1.256 10 0 ADAERP [NH3+][C@H]1CC[NH2+][C@H](c2ccsc2)C1 757216819 582954273 /nfs/dbraw/zinc/95/42/73/582954273.db2.gz QETSLFXHVRIUTL-IUCAKERBSA-N 2 0 182.292 1.500 10 0 ADAERP CC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1C[NH3+] 757218256 582954279 /nfs/dbraw/zinc/95/42/79/582954279.db2.gz URSZYAPAFQGBKO-IMSYWVGJSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1[C@H]1CCC[NH2+]C1 757218120 582954289 /nfs/dbraw/zinc/95/42/89/582954289.db2.gz TTXUXONDRQUUBP-GARJFASQSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]C1 757217679 582954293 /nfs/dbraw/zinc/95/42/93/582954293.db2.gz RXWFCYHCXVHTJO-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@@H]1C 757219376 582954298 /nfs/dbraw/zinc/95/42/98/582954298.db2.gz YFFIOGXYUHBQAD-GUBZILKMSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]1C[NH2+][C@H]([C@H]2CCC[NH2+]C2)[C@H](C)C1 757218124 582954311 /nfs/dbraw/zinc/95/43/11/582954311.db2.gz TUHMQWNCOGTAKN-USZNOCQGSA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@H]1C 757218837 582954319 /nfs/dbraw/zinc/95/43/19/582954319.db2.gz XHEGVQUEZLRBPS-UTLUCORTSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H](c2ccsc2)[NH2+]C1 757217988 582954337 /nfs/dbraw/zinc/95/43/37/582954337.db2.gz UBMPDQSVZRPBAW-WPRPVWTQSA-N 2 0 196.319 1.748 10 0 ADAERP CC(C)C[C@@H]1[NH2+]CC[C@H](C)[C@@H]1[NH3+] 757218969 582954354 /nfs/dbraw/zinc/95/43/54/582954354.db2.gz XMGYFBPNAHKQKS-GUBZILKMSA-N 2 0 170.300 1.358 10 0 ADAERP CCCC[C@@H]1C[C@@H](C)[C@H]([NH3+])C[NH2+]1 757216840 582954380 /nfs/dbraw/zinc/95/43/80/582954380.db2.gz QFNMQAUJTVYABR-OPRDCNLKSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+]C[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 757217283 582954388 /nfs/dbraw/zinc/95/43/88/582954388.db2.gz RRHAWSZYXWRJRR-CMPLNLGQSA-N 2 0 190.290 1.686 10 0 ADAERP C[C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]C2)[NH2+]C1 757217681 582954392 /nfs/dbraw/zinc/95/43/92/582954392.db2.gz RXWFCYHCXVHTJO-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1C[C@H](C)[C@H]([NH3+])C[NH2+]1 757216839 582954410 /nfs/dbraw/zinc/95/44/10/582954410.db2.gz QFNMQAUJTVYABR-IVZWLZJFSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+]C[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 757217298 582954419 /nfs/dbraw/zinc/95/44/19/582954419.db2.gz RRHAWSZYXWRJRR-PWSUYJOCSA-N 2 0 190.290 1.686 10 0 ADAERP CCCC[C@@H]1[NH2+][C@@H](C)CC[C@@H]1C[NH3+] 757219708 582954445 /nfs/dbraw/zinc/95/44/45/582954445.db2.gz ZCJXDXCAASDWCH-AXFHLTTASA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1C[NH2+][C@H](C2CC[NH2+]CC2)[C@@H](C)C1 757219318 582954480 /nfs/dbraw/zinc/95/44/80/582954480.db2.gz WTUHQOUZBKNSMN-NHCYSSNCSA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[C@@H]1C[C@@H](C[NH3+])CC[NH2+]1 757218800 582954519 /nfs/dbraw/zinc/95/45/19/582954519.db2.gz XAWDKYHGZLELIT-VHSXEESVSA-N 2 0 170.300 1.504 10 0 ADAERP [NH3+]C[C@H]1CC[NH2+][C@H](c2ccccc2)C1 757217296 582954521 /nfs/dbraw/zinc/95/45/21/582954521.db2.gz RRHAWSZYXWRJRR-JQWIXIFHSA-N 2 0 190.290 1.686 10 0 ADAERP CCCC[C@@H]1CC[C@H]([NH3+])[C@@H](C)[NH2+]1 757217525 582954621 /nfs/dbraw/zinc/95/46/21/582954621.db2.gz RYALTONKEOMNOI-BBBLOLIVSA-N 2 0 170.300 1.644 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@@H](C)C[C@H]1[NH3+] 757218497 582954632 /nfs/dbraw/zinc/95/46/32/582954632.db2.gz VJIQTFKTIRVQDW-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP CCCC[C@H]1C[C@H](C[NH3+])CC[NH2+]1 757218801 582954649 /nfs/dbraw/zinc/95/46/49/582954649.db2.gz XAWDKYHGZLELIT-ZJUUUORDSA-N 2 0 170.300 1.504 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@H]([NH3+])C[C@H]1C 757219375 582954666 /nfs/dbraw/zinc/95/46/66/582954666.db2.gz YFFIOGXYUHBQAD-BBBLOLIVSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@@H]1[NH3+] 757218363 582954671 /nfs/dbraw/zinc/95/46/71/582954671.db2.gz UXWVLKDJFQQTRT-GUBZILKMSA-N 2 0 170.300 1.500 10 0 ADAERP CC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@H]1C[NH3+] 757218257 582954677 /nfs/dbraw/zinc/95/46/77/582954677.db2.gz URSZYAPAFQGBKO-JLIMGVALSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+]C[C@@H]1CC[C@H](c2ccsc2)[NH2+]C1 757217984 582954685 /nfs/dbraw/zinc/95/46/85/582954685.db2.gz UBMPDQSVZRPBAW-WCBMZHEXSA-N 2 0 196.319 1.748 10 0 ADAERP CCCC[C@@H]1CC[C@H]([NH3+])[C@H](C)[NH2+]1 757217521 582954712 /nfs/dbraw/zinc/95/47/12/582954712.db2.gz RYALTONKEOMNOI-AEJSXWLSSA-N 2 0 170.300 1.644 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@H]([NH3+])C[C@@H]1C 757218820 582954722 /nfs/dbraw/zinc/95/47/22/582954722.db2.gz XHEGVQUEZLRBPS-AEJSXWLSSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@@H]1CCC[NH2+][C@@H]1[C@H]1CCC[NH2+]C1 757219305 582954725 /nfs/dbraw/zinc/95/47/25/582954725.db2.gz WSUNDZGZZMPVNR-VWYCJHECSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1[C@H]1CCC[NH2+]C1 757219303 582954748 /nfs/dbraw/zinc/95/47/48/582954748.db2.gz WSUNDZGZZMPVNR-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1[NH3+] 757218499 582954758 /nfs/dbraw/zinc/95/47/58/582954758.db2.gz VJIQTFKTIRVQDW-GUBZILKMSA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+]C[C@@H]1CC[NH2+][C@@H](c2ccsc2)C1 757217471 582954777 /nfs/dbraw/zinc/95/47/77/582954777.db2.gz RVBYVPZNOMPRJF-PSASIEDQSA-N 2 0 196.319 1.748 10 0 ADAERP CC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@H]1C[NH3+] 757218259 582954784 /nfs/dbraw/zinc/95/47/84/582954784.db2.gz URSZYAPAFQGBKO-KYXWUPHJSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+]C[C@H]1CC[NH2+][C@@H](c2ccsc2)C1 757217475 582954809 /nfs/dbraw/zinc/95/48/09/582954809.db2.gz RVBYVPZNOMPRJF-WCBMZHEXSA-N 2 0 196.319 1.748 10 0 ADAERP CC(C)C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH3+] 757219005 582954821 /nfs/dbraw/zinc/95/48/21/582954821.db2.gz XMGYFBPNAHKQKS-UTLUCORTSA-N 2 0 170.300 1.358 10 0 ADAERP CCCC[C@@H]1C[C@H](C)[C@@H]([NH3+])C[NH2+]1 757216836 582954830 /nfs/dbraw/zinc/95/48/30/582954830.db2.gz QFNMQAUJTVYABR-AEJSXWLSSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@H]1C[NH2+][C@H](C2CC[NH2+]CC2)[C@H](C)C1 757219320 582954860 /nfs/dbraw/zinc/95/48/60/582954860.db2.gz WTUHQOUZBKNSMN-UMNHJUIQSA-N 2 0 196.338 1.620 10 0 ADAERP CCCC[C@@H]1[NH2+]C[C@H](C)C[C@H]1[NH3+] 757218498 582954878 /nfs/dbraw/zinc/95/48/78/582954878.db2.gz VJIQTFKTIRVQDW-BBBLOLIVSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)C[C@@H]1[NH2+]C[C@H]([NH3+])C[C@H]1C 757218825 582954901 /nfs/dbraw/zinc/95/49/01/582954901.db2.gz XHEGVQUEZLRBPS-BBBLOLIVSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1[C@@H]1CCC[NH2+]C1 757218121 582954921 /nfs/dbraw/zinc/95/49/21/582954921.db2.gz TTXUXONDRQUUBP-HBNTYKKESA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[C@@H]1C[C@H](C[NH3+])CC[NH2+]1 757218796 582954923 /nfs/dbraw/zinc/95/49/23/582954923.db2.gz XAWDKYHGZLELIT-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP CCCC[C@@H]1C[C@H]([NH3+])CC[NH2+]1 757219677 582954926 /nfs/dbraw/zinc/95/49/26/582954926.db2.gz ZBGHQXMDNUXEJO-RKDXNWHRSA-N 2 0 156.273 1.256 10 0 ADAERP CCCC[C@@H]1[NH2+][C@H](C)CC[C@H]1C[NH3+] 757219863 582954941 /nfs/dbraw/zinc/95/49/41/582954941.db2.gz ZCJXDXCAASDWCH-VWYCJHECSA-N 2 0 184.327 1.892 10 0 ADAERP CC[C@@H]1CC[C@@H](CC[NH3+])C[NH2+]1 757219872 582954948 /nfs/dbraw/zinc/95/49/48/582954948.db2.gz XOVYCHUNDMQYRB-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H]1CC[C@@H]([C@H]2CCC[NH2+]C2)C[NH2+]1 757219399 582954950 /nfs/dbraw/zinc/95/49/50/582954950.db2.gz WZCMNRSJYZOFQQ-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H]1CC[NH2+]C[C@H]1[C@@H]1CC[NH2+][C@H](C)C1 757228532 582955058 /nfs/dbraw/zinc/95/50/58/582955058.db2.gz CXHTXOQFJUHQOE-IRCOFANPSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2CCCC[NH2+]2)CC[NH2+]1 757237050 582955063 /nfs/dbraw/zinc/95/50/63/582955063.db2.gz PHDHOWKWGMVXHU-GMTAPVOTSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[NH2+][C@@H](C)C2)C1 757228484 582955124 /nfs/dbraw/zinc/95/51/24/582955124.db2.gz CUFPPNWMIRAXHE-NNYUYHANSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCC[NH2+]C2)CC[NH2+]1 757236252 582955152 /nfs/dbraw/zinc/95/51/52/582955152.db2.gz NTVMQPIRDVUVQP-GMTAPVOTSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2[NH2+]CCC[C@H]2C)CC[NH2+]1 757227277 582955185 /nfs/dbraw/zinc/95/51/85/582955185.db2.gz BBSHDNYHBLQGNY-DDHJBXDOSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1CCC[NH2+][C@H]1[C@@H]1CC[NH2+][C@H](C)C1 757227283 582955198 /nfs/dbraw/zinc/95/51/98/582955198.db2.gz BBSHDNYHBLQGNY-IRCOFANPSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1CCC[C@@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]1 757229396 582955212 /nfs/dbraw/zinc/95/52/12/582955212.db2.gz DXTXZOXXSVRFEW-QCNOEVLYSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1[C@@H]1CC[NH2+][C@H](C)C1 757236986 582955248 /nfs/dbraw/zinc/95/52/48/582955248.db2.gz OXNSVMDWUHBRHB-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 757229260 582955231 /nfs/dbraw/zinc/95/52/31/582955231.db2.gz DPDUHJOEPPLFIR-DDHJBXDOSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@@H]([C@@H]2C[C@H](C)CC[NH2+]2)CC[NH2+]1 757235618 582955280 /nfs/dbraw/zinc/95/52/80/582955280.db2.gz MBESSMBJFQDZKB-RHYQMDGZSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 757237294 582955293 /nfs/dbraw/zinc/95/52/93/582955293.db2.gz PVAOVXGWMDHKOI-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@H]1CC[C@@H](CC[NH3+])C[NH2+]1 757220247 582955300 /nfs/dbraw/zinc/95/53/00/582955300.db2.gz XOVYCHUNDMQYRB-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2CCC[NH2+]C2)CC[NH2+]1 757236255 582955303 /nfs/dbraw/zinc/95/53/03/582955303.db2.gz NTVMQPIRDVUVQP-MXWKQRLJSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H]1CCC[NH2+][C@@H]1[C@@H]1CC[NH2+][C@H](C)C1 757227295 582955349 /nfs/dbraw/zinc/95/53/49/582955349.db2.gz BBSHDNYHBLQGNY-QCNOEVLYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]([C@@H]2CCCC[NH2+]2)CC[NH2+]1 757237085 582955375 /nfs/dbraw/zinc/95/53/75/582955375.db2.gz PHDHOWKWGMVXHU-VWYCJHECSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 757228527 582955397 /nfs/dbraw/zinc/95/53/97/582955397.db2.gz CXHTXOQFJUHQOE-DDHJBXDOSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 757228541 582955434 /nfs/dbraw/zinc/95/54/34/582955434.db2.gz CXHTXOQFJUHQOE-KKOKHZNYSA-N 2 0 196.338 1.620 10 0 ADAERP CC[C@@H]1CC[C@H](CC[NH3+])C[NH2+]1 757220248 582955443 /nfs/dbraw/zinc/95/54/43/582955443.db2.gz XOVYCHUNDMQYRB-RKDXNWHRSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@H]1C[C@@H]([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 757237276 582955451 /nfs/dbraw/zinc/95/54/51/582955451.db2.gz PVAOVXGWMDHKOI-BKUVIOGVSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@H]([C@@H]2C[C@H](C)CC[NH2+]2)CC[NH2+]1 757235616 582955458 /nfs/dbraw/zinc/95/54/58/582955458.db2.gz MBESSMBJFQDZKB-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@H]([C@H]2CC[C@@H](C)C[NH2+]2)CC[NH2+]1 757229290 582955461 /nfs/dbraw/zinc/95/54/61/582955461.db2.gz DPDUHJOEPPLFIR-WRWGMCAJSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@H]([C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 757229979 582955468 /nfs/dbraw/zinc/95/54/68/582955468.db2.gz FNWZMUPXXWAQSR-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@H]([C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 757229982 582955482 /nfs/dbraw/zinc/95/54/82/582955482.db2.gz FNWZMUPXXWAQSR-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([C@H]2CC[NH2+][C@H](C)C2)C1 757228490 582955491 /nfs/dbraw/zinc/95/54/91/582955491.db2.gz CUFPPNWMIRAXHE-WHOHXGKFSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCC[C@@H](C)[NH2+]2)CC[NH2+]1 757229386 582955528 /nfs/dbraw/zinc/95/55/28/582955528.db2.gz DXTXZOXXSVRFEW-KKOKHZNYSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[NH2+][C@H](C)C2)C1 757228479 582955590 /nfs/dbraw/zinc/95/55/90/582955590.db2.gz CUFPPNWMIRAXHE-IRCOFANPSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]([C@H]2CC[NH2+][C@H](C)C2)C1 757235620 582955660 /nfs/dbraw/zinc/95/56/60/582955660.db2.gz MBESSMBJFQDZKB-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@@H]([C@H]2CC[C@@H](C)C[NH2+]2)CC[NH2+]1 757229269 582955681 /nfs/dbraw/zinc/95/56/81/582955681.db2.gz DPDUHJOEPPLFIR-NOOOWODRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@H]([C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 757229985 582955683 /nfs/dbraw/zinc/95/56/83/582955683.db2.gz FNWZMUPXXWAQSR-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[NH2+][C@H](C)C2)C1 757235613 582955684 /nfs/dbraw/zinc/95/56/84/582955684.db2.gz MBESSMBJFQDZKB-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 757236983 582955687 /nfs/dbraw/zinc/95/56/87/582955687.db2.gz OXNSVMDWUHBRHB-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]([C@H]2CCC[NH2+]C2)CC[NH2+]1 757236259 582955704 /nfs/dbraw/zinc/95/57/04/582955704.db2.gz NTVMQPIRDVUVQP-VWYCJHECSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1C[C@H]([C@H]2[NH2+]CCC[C@H]2C)CC[NH2+]1 757227289 582955716 /nfs/dbraw/zinc/95/57/16/582955716.db2.gz BBSHDNYHBLQGNY-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1[C@@H]1CC[NH2+][C@H](C)C1 757236991 582955760 /nfs/dbraw/zinc/95/57/60/582955760.db2.gz OXNSVMDWUHBRHB-WRWGMCAJSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 757237285 582955766 /nfs/dbraw/zinc/95/57/66/582955766.db2.gz PVAOVXGWMDHKOI-DDHJBXDOSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([C@H]2CC[NH2+][C@@H](C)C2)C1 757228468 582955794 /nfs/dbraw/zinc/95/57/94/582955794.db2.gz CUFPPNWMIRAXHE-FIQHERPVSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@@H]([C@H]2CCCC[NH2+]2)CC[NH2+]1 757237066 582955801 /nfs/dbraw/zinc/95/58/01/582955801.db2.gz PHDHOWKWGMVXHU-OUAUKWLOSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCCC[NH2+]2)CC[NH2+]1 757237056 582955830 /nfs/dbraw/zinc/95/58/30/582955830.db2.gz PHDHOWKWGMVXHU-MXWKQRLJSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1CC[C@H]([C@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 757229278 582955878 /nfs/dbraw/zinc/95/58/78/582955878.db2.gz DPDUHJOEPPLFIR-WISYIIOYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1C[C@H]([C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 757237313 582955880 /nfs/dbraw/zinc/95/58/80/582955880.db2.gz PVAOVXGWMDHKOI-WRWGMCAJSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]1CC[NH2+]C[C@@H]1[C@@H]1CC[NH2+][C@H](C)C1 757228555 582955886 /nfs/dbraw/zinc/95/58/86/582955886.db2.gz CXHTXOQFJUHQOE-QCNOEVLYSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@H]([C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 757236979 582955889 /nfs/dbraw/zinc/95/58/89/582955889.db2.gz OXNSVMDWUHBRHB-DDHJBXDOSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]([C@@H]2CCC[NH2+]C2)CC[NH2+]1 757236257 582955900 /nfs/dbraw/zinc/95/59/00/582955900.db2.gz NTVMQPIRDVUVQP-OUAUKWLOSA-N 2 0 182.311 1.374 10 0 ADAERP CC1=CC[C@H]([NH2+][C@H]2CCN(C)C2)CC1 816548298 582985716 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196.338 1.859 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 20523448 491021055 /nfs/dbraw/zinc/02/10/55/491021055.db2.gz WNGVMWLXARPKIK-UWVGGRQHSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 20523447 491021060 /nfs/dbraw/zinc/02/10/60/491021060.db2.gz WNGVMWLXARPKIK-ZJUUUORDSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[C@H](C)[NH+]1CCC([NH3+])CC1 20521518 491021065 /nfs/dbraw/zinc/02/10/65/491021065.db2.gz GUBKRCNHCZNRRJ-VIFPVBQESA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[C@@H](C)[NH+]1CCC([NH3+])CC1 20521517 491021079 /nfs/dbraw/zinc/02/10/79/491021079.db2.gz GUBKRCNHCZNRRJ-SECBINFHSA-N 2 0 170.300 1.454 10 0 ADAERP c1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 34414560 491021143 /nfs/dbraw/zinc/02/11/43/491021143.db2.gz NMHQHNPNQWTQIP-LBPRGKRZSA-N 2 0 190.290 1.386 10 0 ADAERP CCCN(C)CC(C)(C)[NH2+]CC 61299663 491021305 /nfs/dbraw/zinc/02/13/05/491021305.db2.gz MHGUCTFDZCMSBW-UHFFFAOYSA-N 2 0 172.316 1.716 10 0 ADAERP CCC[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282339 491027457 /nfs/dbraw/zinc/02/74/57/491027457.db2.gz BHJDTWDZQKZCAJ-GARJFASQSA-N 2 0 182.311 1.326 10 0 ADAERP CCC(CC)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 85282135 491027476 /nfs/dbraw/zinc/02/74/76/491027476.db2.gz AHUBFFVTOMJWKK-RYUDHWBXSA-N 2 0 196.338 1.574 10 0 ADAERP CCC[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282341 491027483 /nfs/dbraw/zinc/02/74/83/491027483.db2.gz BHJDTWDZQKZCAJ-HBNTYKKESA-N 2 0 182.311 1.326 10 0 ADAERP C1CCC([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 85282053 491027512 /nfs/dbraw/zinc/02/75/12/491027512.db2.gz CVFHKZGZKSRXDO-NXEZZACHSA-N 2 0 180.295 1.080 10 0 ADAERP CCC(CC)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282134 491027578 /nfs/dbraw/zinc/02/75/78/491027578.db2.gz AHUBFFVTOMJWKK-VXGBXAGGSA-N 2 0 196.338 1.574 10 0 ADAERP CCC[C@H](C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282283 491027579 /nfs/dbraw/zinc/02/75/79/491027579.db2.gz DVKYRRMXIRPPHB-QJPTWQEYSA-N 2 0 196.338 1.574 10 0 ADAERP CCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282338 491027625 /nfs/dbraw/zinc/02/76/25/491027625.db2.gz BHJDTWDZQKZCAJ-MXWKQRLJSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH+](C)CCCC[NH2+]Cc1cc[nH]c1 85579702 491027773 /nfs/dbraw/zinc/02/77/73/491027773.db2.gz SJHRCVOTKCXCSO-UHFFFAOYSA-N 2 0 195.310 1.446 10 0 ADAERP CCC(CC)C[NH2+]CC[C@H](C)[NH3+] 130431725 491033654 /nfs/dbraw/zinc/03/36/54/491033654.db2.gz NWFAWBJBRQLDNK-VIFPVBQESA-N 2 0 172.316 1.750 10 0 ADAERP CCC(CC)C[NH2+]C[C@H]1CC[NH2+]C1 130404737 491033668 /nfs/dbraw/zinc/03/36/68/491033668.db2.gz CWERAPCNCLIHDG-NSHDSACASA-N 2 0 184.327 1.622 10 0 ADAERP CCC(CC)C[NH2+]C[C@@H]1CC[NH2+]C1 130404506 491033669 /nfs/dbraw/zinc/03/36/69/491033669.db2.gz CWERAPCNCLIHDG-LLVKDONJSA-N 2 0 184.327 1.622 10 0 ADAERP CCC(CC)C[NH2+]CC[C@@H](C)[NH3+] 130431519 491033697 /nfs/dbraw/zinc/03/36/97/491033697.db2.gz NWFAWBJBRQLDNK-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]2C)CN1C1CC1 133253159 491037371 /nfs/dbraw/zinc/03/73/71/491037371.db2.gz ABYPUNWSLJJEEH-KLBPJQLPSA-N 2 0 194.322 1.610 10 0 ADAERP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 132809517 491036865 /nfs/dbraw/zinc/03/68/65/491036865.db2.gz IZNDOGCWGLZDRH-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 132809111 491036870 /nfs/dbraw/zinc/03/68/70/491036870.db2.gz IZNDOGCWGLZDRH-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 132809694 491036917 /nfs/dbraw/zinc/03/69/17/491036917.db2.gz IZNDOGCWGLZDRH-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 132809320 491036922 /nfs/dbraw/zinc/03/69/22/491036922.db2.gz IZNDOGCWGLZDRH-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)([NH3+])C[NH2+]C[Si](C)(C)C 195816554 491040117 /nfs/dbraw/zinc/04/01/17/491040117.db2.gz HYBPWMPETGWSLR-UHFFFAOYSA-N 2 0 174.364 1.191 10 0 ADAERP CCC[C@@H]1C[C@H]1[NH2+]C1CCN(C)CC1 226329840 491042564 /nfs/dbraw/zinc/04/25/64/491042564.db2.gz QJHASMJLEZDHNN-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP 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/nfs/dbraw/zinc/11/73/72/491117372.db2.gz YMJVOXRPZNQSFN-QWRGUYRKSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CC1(C)C 308683340 491117384 /nfs/dbraw/zinc/11/73/84/491117384.db2.gz YMJVOXRPZNQSFN-WDEREUQCSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC1(C)C 308683337 491117394 /nfs/dbraw/zinc/11/73/94/491117394.db2.gz YMJVOXRPZNQSFN-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP C[N@H+](CCC1CC1)C[C@@]1(C)CC[NH2+]C1 389303502 491119545 /nfs/dbraw/zinc/11/95/45/491119545.db2.gz MWQMUABGDZQVCY-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP C[N@H+](CCC1CC1)C[C@]1(C)CC[NH2+]C1 389303500 491119579 /nfs/dbraw/zinc/11/95/79/491119579.db2.gz MWQMUABGDZQVCY-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)C1CCCCC1 11822393 1188765944 /nfs/dbraw/zinc/76/59/44/1188765944.db2.gz OEDMCXIEMZOSHH-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]CCCC[NH2+][C@H]1CCCSC1 61588283 1188771141 /nfs/dbraw/zinc/77/11/41/1188771141.db2.gz HPRHYZNHDXGTHU-VIFPVBQESA-N 2 0 188.340 1.211 10 0 ADAERP [NH3+]CCCC[NH2+][C@@H]1CCCSC1 61588284 1188771860 /nfs/dbraw/zinc/77/18/60/1188771860.db2.gz HPRHYZNHDXGTHU-SECBINFHSA-N 2 0 188.340 1.211 10 0 ADAERP CC1(C)CC[NH+](CCCC[NH3+])CC1 61818782 1188772818 /nfs/dbraw/zinc/77/28/18/1188772818.db2.gz PBDNUXZIMMUCBK-UHFFFAOYSA-N 2 0 184.327 1.847 10 0 ADAERP CC1(C)CC[NH+](C2CC[NH2+]CC2)CC1 61820118 1188772856 /nfs/dbraw/zinc/77/28/56/1188772856.db2.gz VGUMKESQCPMQOS-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH+]1CCC(NC(=[NH2+])C(C)(C)C)CC1 62990264 1188773468 /nfs/dbraw/zinc/77/34/68/1188773468.db2.gz KWFHCUJYTRNFOY-UHFFFAOYSA-N 2 0 197.326 1.694 10 0 ADAERP CC1(C)CCC[N@@H+]1CCCC[NH3+] 63066096 1188773590 /nfs/dbraw/zinc/77/35/90/1188773590.db2.gz IFWZVRYIBPTBQV-UHFFFAOYSA-N 2 0 170.300 1.600 10 0 ADAERP C[C@H]1C[C@H]([NH2+]C(C)(C)C)CC[NH2+]1 73657400 1188774466 /nfs/dbraw/zinc/77/44/66/1188774466.db2.gz LZMNUBJRPHFBBW-DTWKUNHWSA-N 2 0 170.300 1.515 10 0 ADAERP CC(C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 73657391 1188774490 /nfs/dbraw/zinc/77/44/90/1188774490.db2.gz ZHICUFZXGLQRJM-BDAKNGLRSA-N 2 0 156.273 1.125 10 0 ADAERP C[C@H]1C[C@@H]([NH2+]C(C)(C)C)CC[NH2+]1 73657402 1188774831 /nfs/dbraw/zinc/77/48/31/1188774831.db2.gz LZMNUBJRPHFBBW-IUCAKERBSA-N 2 0 170.300 1.515 10 0 ADAERP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)CC[NH2+]1 73657401 1188775534 /nfs/dbraw/zinc/77/55/34/1188775534.db2.gz LZMNUBJRPHFBBW-BDAKNGLRSA-N 2 0 170.300 1.515 10 0 ADAERP [NH3+]C[C@@H]1CCCC[N@@H+](C2CCCC2)C1 215781938 1188785831 /nfs/dbraw/zinc/78/58/31/1188785831.db2.gz IZPPPLUTLYVXQG-NSHDSACASA-N 2 0 196.338 1.990 10 0 ADAERP CC1(C)C[C@@H]([NH2+]C2CC([NH3+])C2)CCO1 215573578 1188785908 /nfs/dbraw/zinc/78/59/08/1188785908.db2.gz XPXIVAFUSKLGGK-KYHHOPLUSA-N 2 0 198.310 1.023 10 0 ADAERP CC1(C)C[C@H]([NH2+]C2CC([NH3+])C2)CCO1 215573536 1188786011 /nfs/dbraw/zinc/78/60/11/1188786011.db2.gz XPXIVAFUSKLGGK-HWOCKDDLSA-N 2 0 198.310 1.023 10 0 ADAERP [NH3+]C[C@H]1CCCC[N@@H+](C2CCCC2)C1 215781886 1188786040 /nfs/dbraw/zinc/78/60/40/1188786040.db2.gz IZPPPLUTLYVXQG-LLVKDONJSA-N 2 0 196.338 1.990 10 0 ADAERP [NH3+][C@H]1CCC[N@H+](CC2CCCC2)CC1 215787412 1188786221 /nfs/dbraw/zinc/78/62/21/1188786221.db2.gz GUSCSRRGULGCPJ-LBPRGKRZSA-N 2 0 196.338 1.990 10 0 ADAERP [NH3+][C@@H]1CCC[N@H+](CC2CCCC2)CC1 215787454 1188786232 /nfs/dbraw/zinc/78/62/32/1188786232.db2.gz GUSCSRRGULGCPJ-GFCCVEGCSA-N 2 0 196.338 1.990 10 0 ADAERP [NH3+]CCCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 227159864 1188787630 /nfs/dbraw/zinc/78/76/30/1188787630.db2.gz PCHINULENNUKPX-RYUDHWBXSA-N 2 0 196.338 1.990 10 0 ADAERP [NH3+]CCCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 227159872 1188787863 /nfs/dbraw/zinc/78/78/63/1188787863.db2.gz PCHINULENNUKPX-NEPJUHHUSA-N 2 0 196.338 1.990 10 0 ADAERP C1C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C[C@H]2C1 226917742 1188788173 /nfs/dbraw/zinc/78/81/73/1188788173.db2.gz MLKDWPNCWJNRHP-VXGBXAGGSA-N 2 0 194.322 1.470 10 0 ADAERP C1C[C@@H]2C[NH+]([C@H]3CCC[NH2+]C3)C[C@H]2C1 252701004 1188795439 /nfs/dbraw/zinc/79/54/39/1188795439.db2.gz BVYXNKFGALWOLK-UTUOFQBUSA-N 2 0 194.322 1.470 10 0 ADAERP CCC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 306503134 1188798888 /nfs/dbraw/zinc/79/88/88/1188798888.db2.gz HQJRRFSBWAYKHE-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 306503133 1188798932 /nfs/dbraw/zinc/79/89/32/1188798932.db2.gz HQJRRFSBWAYKHE-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])c(C)c1 306739702 1188800611 /nfs/dbraw/zinc/80/06/11/1188800611.db2.gz AZIDITZSJRYSKI-SNVBAGLBSA-N 2 0 193.294 1.848 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCCC2)C1 306975491 1188803370 /nfs/dbraw/zinc/80/33/70/1188803370.db2.gz NGBYTAQJHNGJNY-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCCC2)C1 306975492 1188803408 /nfs/dbraw/zinc/80/34/08/1188803408.db2.gz NGBYTAQJHNGJNY-WDEREUQCSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCCC2)C1 306975490 1188803624 /nfs/dbraw/zinc/80/36/24/1188803624.db2.gz NGBYTAQJHNGJNY-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCCC2)C1 306975489 1188803945 /nfs/dbraw/zinc/80/39/45/1188803945.db2.gz NGBYTAQJHNGJNY-GHMZBOCLSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 307043261 1188804258 /nfs/dbraw/zinc/80/42/58/1188804258.db2.gz USJLAFOTCYDPCZ-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 307043262 1188804486 /nfs/dbraw/zinc/80/44/86/1188804486.db2.gz USJLAFOTCYDPCZ-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 307043258 1188804723 /nfs/dbraw/zinc/80/47/23/1188804723.db2.gz USJLAFOTCYDPCZ-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 307043259 1188804752 /nfs/dbraw/zinc/80/47/52/1188804752.db2.gz USJLAFOTCYDPCZ-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C1CC(C[NH+]2C3CCC2CC3)CC[NH2+]1 307074938 1188805325 /nfs/dbraw/zinc/80/53/25/1188805325.db2.gz BVYPMRDJAJHOAT-UHFFFAOYSA-N 2 0 194.322 1.613 10 0 ADAERP [NH3+]CCCC[N@@H+]1CCC2(CCCC2)C1 393663144 1188822240 /nfs/dbraw/zinc/82/22/40/1188822240.db2.gz ZHRMAZOVQGYKNR-UHFFFAOYSA-N 2 0 196.338 1.991 10 0 ADAERP C[NH+]1CCC(C[N@H+]2CC=CCC2)CC1 1335480943 1188837623 /nfs/dbraw/zinc/83/76/23/1188837623.db2.gz DIIIMPSSLJSKMN-UHFFFAOYSA-N 2 0 194.322 1.590 10 0 ADAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC1 127524517 697641300 /nfs/dbraw/zinc/64/13/00/697641300.db2.gz MGMCBFMFZBMLLR-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133093551 697642486 /nfs/dbraw/zinc/64/24/86/697642486.db2.gz NMXRXSXCEXDCIJ-NXEZZACHSA-N 2 0 170.300 1.313 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 133093766 697642584 /nfs/dbraw/zinc/64/25/84/697642584.db2.gz NMXRXSXCEXDCIJ-ZJUUUORDSA-N 2 0 170.300 1.313 10 0 ADAERP CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 133081130 697642706 /nfs/dbraw/zinc/64/27/06/697642706.db2.gz BEAVIJPJILEVAA-MNOVXSKESA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]C1CC[NH+](CCCC2CC2)CC1 157036499 697656860 /nfs/dbraw/zinc/65/68/60/697656860.db2.gz SGHHRKZPFKANMG-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 166348370 697672399 /nfs/dbraw/zinc/67/23/99/697672399.db2.gz ATBMQOGADJQSJK-TUAOUCFPSA-N 2 0 196.338 1.846 10 0 ADAERP CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 211415406 697682787 /nfs/dbraw/zinc/68/27/87/697682787.db2.gz ZWSYLLLPFDLGIU-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP [NH3+]C[C@@H]1CC[C@H](c2cccs2)[NH2+]C1 212757473 697683176 /nfs/dbraw/zinc/68/31/76/697683176.db2.gz HLPNYWWOADILJP-DTWKUNHWSA-N 2 0 196.319 1.748 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H](c2cccs2)[NH2+]C1 212757408 697683206 /nfs/dbraw/zinc/68/32/06/697683206.db2.gz HLPNYWWOADILJP-IUCAKERBSA-N 2 0 196.319 1.748 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)C1 223929557 697687362 /nfs/dbraw/zinc/68/73/62/697687362.db2.gz HAFABPFIVQCJGC-UTUOFQBUSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1C 223929352 697687573 /nfs/dbraw/zinc/68/75/73/697687573.db2.gz XHNNQGOANZOZPJ-WOPDTQHZSA-N 2 0 196.338 1.716 10 0 ADAERP CCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 227767360 697698307 /nfs/dbraw/zinc/69/83/07/697698307.db2.gz BEAVIJPJILEVAA-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP C1CC(CC[NH2+][C@@H]2CCC[NH2+]CC2)C1 229080729 697700539 /nfs/dbraw/zinc/70/05/39/697700539.db2.gz ZIAIQIGZOHAAFL-GFCCVEGCSA-N 2 0 196.338 1.908 10 0 ADAERP C1CC(CC[NH2+][C@H]2CCC[NH2+]CC2)C1 229080743 697700607 /nfs/dbraw/zinc/70/06/07/697700607.db2.gz ZIAIQIGZOHAAFL-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP C1CC(CC[NH2+]C2CC[NH2+]CC2)C1 229082834 697700611 /nfs/dbraw/zinc/70/06/11/697700611.db2.gz SBDOFKFRXUEOEL-UHFFFAOYSA-N 2 0 182.311 1.518 10 0 ADAERP C[C@@H]([NH2+]CCC[NH3+])c1cncs1 229124437 697700711 /nfs/dbraw/zinc/70/07/11/697700711.db2.gz MUHULJVGHCWAQU-SSDOTTSWSA-N 2 0 185.296 1.143 10 0 ADAERP CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 233984744 697705796 /nfs/dbraw/zinc/70/57/96/697705796.db2.gz WKSSTTMVESXTAA-UTLUCORTSA-N 2 0 170.300 1.230 10 0 ADAERP CC[C@H](C)[N@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C 233991303 697706286 /nfs/dbraw/zinc/70/62/86/697706286.db2.gz CEISZUHGDAMUEB-WOPDTQHZSA-N 2 0 198.354 1.962 10 0 ADAERP CC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 234123474 697706953 /nfs/dbraw/zinc/70/69/53/697706953.db2.gz ZAXPHMMUIBLUOU-WOPDTQHZSA-N 2 0 196.338 1.574 10 0 ADAERP C1CC[N@@H+]2C[C@H]([NH2+]C3CC3)C[C@H]2C1 250881313 697711515 /nfs/dbraw/zinc/71/15/15/697711515.db2.gz VLJGFGHWEZANEY-GHMZBOCLSA-N 2 0 180.295 1.365 10 0 ADAERP [NH3+]C1CC(C[NH2+]C2CCCCC2)C1 258784901 697718125 /nfs/dbraw/zinc/71/81/25/697718125.db2.gz RAZFPWZHJIZKEY-UHFFFAOYSA-N 2 0 182.311 1.646 10 0 ADAERP C1CC[NH+]([C@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 263617549 697719387 /nfs/dbraw/zinc/71/93/87/697719387.db2.gz OIKXCXXVIKMIJX-JGPRNRPPSA-N 2 0 180.295 1.365 10 0 ADAERP CC(C)[NH2+][C@H](C)C1CC[NH2+]CC1 307537066 697746977 /nfs/dbraw/zinc/74/69/77/697746977.db2.gz MASIHYWLFLSRCX-SECBINFHSA-N 2 0 170.300 1.373 10 0 ADAERP CC(C)[NH2+][C@@H](C)C1CC[NH2+]CC1 307537067 697746998 /nfs/dbraw/zinc/74/69/98/697746998.db2.gz MASIHYWLFLSRCX-VIFPVBQESA-N 2 0 170.300 1.373 10 0 ADAERP C[C@H]1C[C@@H](C)CC[N@H+](CCC[NH3+])C1 334865521 697780301 /nfs/dbraw/zinc/78/03/01/697780301.db2.gz UTEZLSMTTOSFPB-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP C[NH2+]CCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 378747308 697785909 /nfs/dbraw/zinc/78/59/09/697785909.db2.gz IVXMUXKVHAUEJP-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 379341917 697832538 /nfs/dbraw/zinc/83/25/38/697832538.db2.gz AQZNNRLEGMAUME-AXFHLTTASA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]1CC[C@H]1[NH2+]CCCC[NH+](C)C 379348062 697833278 /nfs/dbraw/zinc/83/32/78/697833278.db2.gz JCUQZWBYLTZOQS-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+](C)C 379348063 697833419 /nfs/dbraw/zinc/83/34/19/697833419.db2.gz JCUQZWBYLTZOQS-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+]CCCC[NH+](C)C 379348065 697833498 /nfs/dbraw/zinc/83/34/98/697833498.db2.gz JCUQZWBYLTZOQS-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]1CC[C@@H]1[NH2+]CCCC[NH+](C)C 379348064 697833530 /nfs/dbraw/zinc/83/35/30/697833530.db2.gz JCUQZWBYLTZOQS-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C)C1 379539726 697898659 /nfs/dbraw/zinc/89/86/59/697898659.db2.gz NZTGNPRPYQKEQN-TUAOUCFPSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 379539727 697898826 /nfs/dbraw/zinc/89/88/26/697898826.db2.gz NZTGNPRPYQKEQN-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 379539724 697898843 /nfs/dbraw/zinc/89/88/43/697898843.db2.gz NZTGNPRPYQKEQN-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C)C1 379539725 697899015 /nfs/dbraw/zinc/89/90/15/697899015.db2.gz NZTGNPRPYQKEQN-QJPTWQEYSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@@H]1C 380654099 697912454 /nfs/dbraw/zinc/91/24/54/697912454.db2.gz BNSIPURTOINIHL-GHMZBOCLSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1CC[N@H+](CCC[NH2+]C2CC2)[C@@H]1C 380654116 697912511 /nfs/dbraw/zinc/91/25/11/697912511.db2.gz BNSIPURTOINIHL-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1[C@H](C)CC[N@@H+]1CCC[NH2+]C1CC1 380654105 697912527 /nfs/dbraw/zinc/91/25/27/697912527.db2.gz BNSIPURTOINIHL-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]1C[C@H]1C[NH+]1CCC([NH2+]C)CC1 387762875 697939293 /nfs/dbraw/zinc/93/92/93/697939293.db2.gz AWCZNQWFQOQYTM-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CCCCC[N@@H+]1C[C@H](N)C(C)(C)C1 388212774 697945174 /nfs/dbraw/zinc/94/51/74/697945174.db2.gz GNVMXGLXKRVQIM-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCCCC[N@@H+]1C[C@@H](N)C(C)(C)C1 388212775 697945301 /nfs/dbraw/zinc/94/53/01/697945301.db2.gz GNVMXGLXKRVQIM-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP 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1.456 10 0 ADAERP C[N@H+]1C[C@@H]2C[C@@H](C[NH+]3CCCC[C@@H]23)C1 32250152 343101889 /nfs/dbraw/zinc/10/18/89/343101889.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 2 0 194.322 1.422 10 0 ADAERP C[C@H]1C[C@H](C)C[NH+](CCC(N)=[NH2+])C1 34717532 343124442 /nfs/dbraw/zinc/12/44/42/343124442.db2.gz KQGYQJZTZNZFTL-IUCAKERBSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@H]1CC(C)(C)C[C@@]([NH3+])(C[NH3+])C1 35676990 343136516 /nfs/dbraw/zinc/13/65/16/343136516.db2.gz NWZNUCYILWHXJI-WCBMZHEXSA-N 2 0 170.300 1.489 10 0 ADAERP C[C@H]1CC(C)(C)C[C@]([NH3+])(C[NH3+])C1 35676988 343136519 /nfs/dbraw/zinc/13/65/19/343136519.db2.gz NWZNUCYILWHXJI-WPRPVWTQSA-N 2 0 170.300 1.489 10 0 ADAERP CC(C)[N@H+](C)CCC1CC[NH2+]CC1 34972529 343126786 /nfs/dbraw/zinc/12/67/86/343126786.db2.gz JKZPRCKKDZHIAK-UHFFFAOYSA-N 2 0 184.327 1.716 10 0 ADAERP CC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 36169804 343141100 /nfs/dbraw/zinc/14/11/00/343141100.db2.gz GWDANJNYJAQDQR-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP 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37469528 166063672 /nfs/dbraw/zinc/06/36/72/166063672.db2.gz AWPRAULTXWYSKI-HWKANZROSA-N 2 0 182.311 1.636 10 0 ADAERP C1=C(C[NH+]2CCCCC2)C[NH2+]CC1 75570334 166072439 /nfs/dbraw/zinc/07/24/39/166072439.db2.gz GBLLJHAUQKBFAC-UHFFFAOYSA-N 2 0 180.295 1.392 10 0 ADAERP C1=C(C[NH2+]C2CC[NH2+]CC2)CCCC1 307559085 166072457 /nfs/dbraw/zinc/07/24/57/166072457.db2.gz FIAHURNDAJLPKN-UHFFFAOYSA-N 2 0 194.322 1.828 10 0 ADAERP C1=CC[C@@H](C[NH2+]C2CC[NH2+]CC2)CC1 45629266 166075446 /nfs/dbraw/zinc/07/54/46/166075446.db2.gz ODKSULNKFQNSEY-LLVKDONJSA-N 2 0 194.322 1.684 10 0 ADAERP C1=CCN(C[C@@H]2CCC[NH2+]2)CC1 39082226 166075598 /nfs/dbraw/zinc/07/55/98/166075598.db2.gz SLTFSPTWQNWBJL-JTQLQIEISA-N 2 0 166.268 1.000 10 0 ADAERP C1=CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CC1 160687933 166075957 /nfs/dbraw/zinc/07/59/57/166075957.db2.gz YQWJJXGWNGGMPJ-NEPJUHHUSA-N 2 0 194.322 1.827 10 0 ADAERP C1=CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CC1 160687809 166075986 /nfs/dbraw/zinc/07/59/86/166075986.db2.gz 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/nfs/dbraw/zinc/08/33/77/166083377.db2.gz KRVGDQQGCBBBQR-UHFFFAOYSA-N 2 0 168.284 1.128 10 0 ADAERP C1CC([NH+]2CCC3(CC[NH2+]C3)CC2)C1 95937484 166083388 /nfs/dbraw/zinc/08/33/88/166083388.db2.gz PQAFAEAHTHJROJ-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 44481714 166083392 /nfs/dbraw/zinc/08/33/92/166083392.db2.gz ITGGFFVLTNGSRW-JTQLQIEISA-N 2 0 194.322 1.613 10 0 ADAERP C1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 44481715 166083434 /nfs/dbraw/zinc/08/34/34/166083434.db2.gz ITGGFFVLTNGSRW-SNVBAGLBSA-N 2 0 194.322 1.613 10 0 ADAERP C1CC([N@H+]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 49716227 166083441 /nfs/dbraw/zinc/08/34/41/166083441.db2.gz DFNSJFLZNGCASL-KOLCDFICSA-N 2 0 180.295 1.223 10 0 ADAERP C1CC(C[NH+]2CCC[NH2+]CCC2)C1 49665877 166083473 /nfs/dbraw/zinc/08/34/73/166083473.db2.gz FSKUMJAMTTYAGN-UHFFFAOYSA-N 2 0 182.311 1.472 10 0 ADAERP C1CC([N@@H+]2CCC3(CC[NH2+]CC3)C2)C1 95937482 166083749 /nfs/dbraw/zinc/08/37/49/166083749.db2.gz AXMWIQMJNFPSEO-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C1CC([NH+]2CCC[NH2+]CCC2)C1 52213844 166083805 /nfs/dbraw/zinc/08/38/05/166083805.db2.gz ZSCDHQRRCYXETF-UHFFFAOYSA-N 2 0 168.284 1.224 10 0 ADAERP C1CC(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 49717014 166084318 /nfs/dbraw/zinc/08/43/18/166084318.db2.gz OIZRYHLLEBSIKS-NWDGAFQWSA-N 2 0 194.322 1.470 10 0 ADAERP C1CC([NH2+]CC[C@H]2CCC[NH2+]C2)C1 54309255 166084338 /nfs/dbraw/zinc/08/43/38/166084338.db2.gz ISFGHLUZAVRQBT-SNVBAGLBSA-N 2 0 182.311 1.518 10 0 ADAERP C1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 307531382 166084369 /nfs/dbraw/zinc/08/43/69/166084369.db2.gz XFFKSXYQFUITSG-RYUDHWBXSA-N 2 0 194.322 1.470 10 0 ADAERP C1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 307531380 166084372 /nfs/dbraw/zinc/08/43/72/166084372.db2.gz XFFKSXYQFUITSG-NEPJUHHUSA-N 2 0 194.322 1.470 10 0 ADAERP C1CC([NH2+]CC[C@@H]2CCC[NH2+]2)C1 52212212 166084432 /nfs/dbraw/zinc/08/44/32/166084432.db2.gz YZYUQOUMWXDCRM-JTQLQIEISA-N 2 0 168.284 1.271 10 0 ADAERP C1CC2(CC[NH2+]1)CC[NH+](C1CC1)CC2 82530872 166085060 /nfs/dbraw/zinc/08/50/60/166085060.db2.gz VSJVZUAOJSNQBR-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C1CC1C[N@@H+]1CCN2CCC1CC2 307325003 166085860 /nfs/dbraw/zinc/08/58/60/166085860.db2.gz SLAIOENADHYZHR-UHFFFAOYSA-N 2 0 180.295 1.176 10 0 ADAERP C1CC1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306152594 166085900 /nfs/dbraw/zinc/08/59/00/166085900.db2.gz BCNTZENEWAKPBA-TXEJJXNPSA-N 2 0 194.322 1.328 10 0 ADAERP C1CC2(CC[NH+](CC3CC3)CC2)[NH2+]1 335562319 166085976 /nfs/dbraw/zinc/08/59/76/166085976.db2.gz RMZGGPFYARKPOV-UHFFFAOYSA-N 2 0 180.295 1.224 10 0 ADAERP C1CC2(CC[NH+](CC3CC3)CC2)C[NH2+]1 211343086 166086056 /nfs/dbraw/zinc/08/60/56/166086056.db2.gz JPQOCUGNOMTVRJ-UHFFFAOYSA-N 2 0 194.322 1.472 10 0 ADAERP C1CC2(CC[NH2+]1)CC[N@@H+](C1CC1)C2 62951112 166086103 /nfs/dbraw/zinc/08/61/03/166086103.db2.gz REPPRCDUGOTRCW-UHFFFAOYSA-N 2 0 180.295 1.224 10 0 ADAERP C1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)C1 54309163 166086708 /nfs/dbraw/zinc/08/67/08/166086708.db2.gz FGHXDDWESBOFNM-LLVKDONJSA-N 2 0 196.338 1.908 10 0 ADAERP C1CCC([NH+]2CCC[NH2+]CCC2)C1 49664911 166086943 /nfs/dbraw/zinc/08/69/43/166086943.db2.gz VNXPTWSMRDPXOK-UHFFFAOYSA-N 2 0 182.311 1.614 10 0 ADAERP C1CCC([NH2+]CC[C@@H]2CCC[NH2+]2)C1 42172295 166086964 /nfs/dbraw/zinc/08/69/64/166086964.db2.gz MAAXNZIMORYYHU-NSHDSACASA-N 2 0 182.311 1.661 10 0 ADAERP C1CCC([NH2+]C[C@@H]2CC[NH2+]C2)C1 62117058 166087288 /nfs/dbraw/zinc/08/72/88/166087288.db2.gz ACNDCWFMHZABLH-SECBINFHSA-N 2 0 168.284 1.128 10 0 ADAERP C1CCC(CC[NH2+]C2CC[NH2+]CC2)C1 38041472 166087918 /nfs/dbraw/zinc/08/79/18/166087918.db2.gz RWFCRKSYQJIEKD-UHFFFAOYSA-N 2 0 196.338 1.908 10 0 ADAERP C1CCC([NH2+]C[C@H]2CC[NH2+]C2)C1 62117059 166088008 /nfs/dbraw/zinc/08/80/08/166088008.db2.gz ACNDCWFMHZABLH-VIFPVBQESA-N 2 0 168.284 1.128 10 0 ADAERP C1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 54309162 166088076 /nfs/dbraw/zinc/08/80/76/166088076.db2.gz FGHXDDWESBOFNM-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP C1CCC([NH2+]C[C@H]2CC[NH2+]C2)CC1 62117047 166088149 /nfs/dbraw/zinc/08/81/49/166088149.db2.gz JOEFBSMALUBXNO-JTQLQIEISA-N 2 0 182.311 1.518 10 0 ADAERP C1CCC([NH2+]C[C@@H]2CC[NH2+]C2)CC1 62117046 166088189 /nfs/dbraw/zinc/08/81/89/166088189.db2.gz JOEFBSMALUBXNO-SNVBAGLBSA-N 2 0 182.311 1.518 10 0 ADAERP C1CCC(C[NH+]2CCC[NH2+]CCC2)C1 49666027 166088341 /nfs/dbraw/zinc/08/83/41/166088341.db2.gz KNYXOFOZAXTKIG-UHFFFAOYSA-N 2 0 196.338 1.862 10 0 ADAERP C1CCC([NH2+]CC[C@H]2CCC[NH2+]2)C1 42172298 166088500 /nfs/dbraw/zinc/08/85/00/166088500.db2.gz MAAXNZIMORYYHU-LLVKDONJSA-N 2 0 182.311 1.661 10 0 ADAERP C1CCC(C[NH2+]C2CC[NH2+]CC2)C1 38040836 166088578 /nfs/dbraw/zinc/08/85/78/166088578.db2.gz IZMKGBQKYHBQAS-UHFFFAOYSA-N 2 0 182.311 1.518 10 0 ADAERP C1CCC2(C1)C[C@H]2N[C@H]1CC[NH2+]C1 307126544 166088852 /nfs/dbraw/zinc/08/88/52/166088852.db2.gz BNMNZXNDGSGBOQ-VHSXEESVSA-N 2 0 180.295 1.271 10 0 ADAERP C1CCC2(C1)C[C@H]2N[C@@H]1CC[NH2+]C1 307126542 166088949 /nfs/dbraw/zinc/08/89/49/166088949.db2.gz BNMNZXNDGSGBOQ-NXEZZACHSA-N 2 0 180.295 1.271 10 0 ADAERP C1CCC2(C1)C[C@@H]2N[C@H]1CC[NH2+]C1 307126543 166089517 /nfs/dbraw/zinc/08/95/17/166089517.db2.gz BNMNZXNDGSGBOQ-UWVGGRQHSA-N 2 0 180.295 1.271 10 0 ADAERP C1CCC2(C1)C[C@@H]2N[C@@H]1CC[NH2+]C1 307126545 166089734 /nfs/dbraw/zinc/08/97/34/166089734.db2.gz BNMNZXNDGSGBOQ-ZJUUUORDSA-N 2 0 180.295 1.271 10 0 ADAERP C1CCCC([NH2+]C[C@@H]2CC[NH2+]C2)CC1 62117042 166089911 /nfs/dbraw/zinc/08/99/11/166089911.db2.gz ZZBWLVZKULGHFU-LLVKDONJSA-N 2 0 196.338 1.908 10 0 ADAERP C1CCCC([NH2+]C[C@H]2CC[NH2+]C2)CC1 62117043 166090414 /nfs/dbraw/zinc/09/04/14/166090414.db2.gz ZZBWLVZKULGHFU-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP C1CC[N@H+]2CCCC[C@@H]2C[NH2+]C1 62566436 166090639 /nfs/dbraw/zinc/09/06/39/166090639.db2.gz BRKXXUOAFNADLC-SNVBAGLBSA-N 2 0 168.284 1.224 10 0 ADAERP C1CC[C@@H](CCC[NH2+]C2CC2)[NH2+]C1 50952891 166091105 /nfs/dbraw/zinc/09/11/05/166091105.db2.gz OTRZPKMZVCGAJA-JTQLQIEISA-N 2 0 182.311 1.661 10 0 ADAERP C1CC[C@@H]([NH2+]CC2CC2)C[NH2+]C1 335641433 166091119 /nfs/dbraw/zinc/09/11/19/166091119.db2.gz DXZIEQAPQIBGGD-SNVBAGLBSA-N 2 0 168.284 1.128 10 0 ADAERP C1CC[N@H+]2CC[C@@]3(CC[NH2+]C3)[C@@H]2C1 83273852 166091163 /nfs/dbraw/zinc/09/11/63/166091163.db2.gz OPCPIVJFRYZDFY-WDEREUQCSA-N 2 0 180.295 1.224 10 0 ADAERP C1CC[N@H+]2CC[C@]3(CC[NH2+]C3)[C@@H]2C1 83273851 166091394 /nfs/dbraw/zinc/09/13/94/166091394.db2.gz OPCPIVJFRYZDFY-QWRGUYRKSA-N 2 0 180.295 1.224 10 0 ADAERP C1CC[NH+](CC[C@@H]2CCC[NH2+]2)CC1 3732245 166091617 /nfs/dbraw/zinc/09/16/17/166091617.db2.gz MMFFLUHXZGQHPL-NSHDSACASA-N 2 0 182.311 1.614 10 0 ADAERP C1CC[N@H+]2CCCC[C@H]2C[NH2+]C1 62566434 166092075 /nfs/dbraw/zinc/09/20/75/166092075.db2.gz BRKXXUOAFNADLC-JTQLQIEISA-N 2 0 168.284 1.224 10 0 ADAERP C1CC[C@@H](CCC[NH2+]CC2CC2)[NH2+]C1 50952926 166092284 /nfs/dbraw/zinc/09/22/84/166092284.db2.gz XZCGZJPLCSLRDP-LBPRGKRZSA-N 2 0 196.338 1.908 10 0 ADAERP C1CC[NH+](CC[C@H]2CCC[NH2+]2)CC1 3732244 166092445 /nfs/dbraw/zinc/09/24/45/166092445.db2.gz MMFFLUHXZGQHPL-LLVKDONJSA-N 2 0 182.311 1.614 10 0 ADAERP C1CC[C@H](CCC[NH2+]C2CC2)[NH2+]C1 50952893 166093094 /nfs/dbraw/zinc/09/30/94/166093094.db2.gz OTRZPKMZVCGAJA-SNVBAGLBSA-N 2 0 182.311 1.661 10 0 ADAERP C1CC[C@H]([NH2+]CC2CC2)C[NH2+]C1 335641431 166093193 /nfs/dbraw/zinc/09/31/93/166093193.db2.gz DXZIEQAPQIBGGD-JTQLQIEISA-N 2 0 168.284 1.128 10 0 ADAERP C1CC[C@@H]2CC[NH2+]CC[N@@H+]2CC1 80550005 166093942 /nfs/dbraw/zinc/09/39/42/166093942.db2.gz QTOFEVXUQJKZOI-SNVBAGLBSA-N 2 0 168.284 1.224 10 0 ADAERP C1CC[C@H]2CC[NH2+]CC[N@@H+]2CC1 80550008 166094906 /nfs/dbraw/zinc/09/49/06/166094906.db2.gz QTOFEVXUQJKZOI-JTQLQIEISA-N 2 0 168.284 1.224 10 0 ADAERP C1CC[C@H](CCC[NH2+]CC2CC2)[NH2+]C1 50952929 166095024 /nfs/dbraw/zinc/09/50/24/166095024.db2.gz XZCGZJPLCSLRDP-GFCCVEGCSA-N 2 0 196.338 1.908 10 0 ADAERP C1C[NH+](CCC2CC[NH2+]CC2)C1 39082532 166095265 /nfs/dbraw/zinc/09/52/65/166095265.db2.gz RCUDLFBXTDZLIT-UHFFFAOYSA-N 2 0 168.284 1.082 10 0 ADAERP C1C[NH2+][C@H](CC[NH+]2CCCC2)C1 41653064 166096970 /nfs/dbraw/zinc/09/69/70/166096970.db2.gz SYRFZVNNJIKFKL-JTQLQIEISA-N 2 0 168.284 1.224 10 0 ADAERP C1C[NH2+]C[C@H](CCC[NH2+]C2CC2)C1 43591939 166097158 /nfs/dbraw/zinc/09/71/58/166097158.db2.gz AJIKZQYWHABCOI-JTQLQIEISA-N 2 0 182.311 1.518 10 0 ADAERP C1C[NH2+]C[C@H](CCC[NH+]2CCCC2)C1 34449406 166097277 /nfs/dbraw/zinc/09/72/77/166097277.db2.gz UKZIETSBVULVQF-LBPRGKRZSA-N 2 0 196.338 1.862 10 0 ADAERP C1C[NH2+][C@H](CCC[NH+]2CCCC2)C1 52764260 166097333 /nfs/dbraw/zinc/09/73/33/166097333.db2.gz DHMMOWXPALIWDR-NSHDSACASA-N 2 0 182.311 1.614 10 0 ADAERP C1C[NH2+][C@H](CC[NH2+]CC2CC2)C1 42172313 166097636 /nfs/dbraw/zinc/09/76/36/166097636.db2.gz NFSNAMNWSMKATL-JTQLQIEISA-N 2 0 168.284 1.128 10 0 ADAERP C1C[NH2+][C@@H](CCC[NH+]2CCCC2)C1 52764261 166098270 /nfs/dbraw/zinc/09/82/70/166098270.db2.gz DHMMOWXPALIWDR-LLVKDONJSA-N 2 0 182.311 1.614 10 0 ADAERP C1C[NH2+][C@@H]2[C@H](C1)CC[C@H]1CCC[NH2+][C@H]12 306147354 166098307 /nfs/dbraw/zinc/09/83/07/166098307.db2.gz XWURKPFSBHAUQV-DDHJBXDOSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[NH2+]C[C@H](CC[NH2+]C2CC2)C1 54309159 166098649 /nfs/dbraw/zinc/09/86/49/166098649.db2.gz NSFMRGVGTCNPGI-VIFPVBQESA-N 2 0 168.284 1.128 10 0 ADAERP C1C[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C[NH2+]1 306468440 166102552 /nfs/dbraw/zinc/10/25/52/166102552.db2.gz MSGQFXBTMUIDGA-KIDURHIOSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@@H]2CC[C@H](C[NH2+]1)[N@@H+]2CC1CC1 38343410 166102639 /nfs/dbraw/zinc/10/26/39/166102639.db2.gz QQGMHNNAORVETN-WDEREUQCSA-N 2 0 180.295 1.223 10 0 ADAERP C1C[C@@H]2C[N@H+](CC3CC3)CC[C@H]2[NH2+]1 307629919 166102718 /nfs/dbraw/zinc/10/27/18/166102718.db2.gz NMUHTJHNELODBT-GHMZBOCLSA-N 2 0 180.295 1.080 10 0 ADAERP C1C[C@@H]([NH2+][C@H]2CC3CCC2CC3)C[NH2+]1 306468439 166102869 /nfs/dbraw/zinc/10/28/69/166102869.db2.gz MSGQFXBTMUIDGA-HCWSGVFWSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2[NH2+]1 307629920 166104636 /nfs/dbraw/zinc/10/46/36/166104636.db2.gz NMUHTJHNELODBT-MNOVXSKESA-N 2 0 180.295 1.080 10 0 ADAERP C1C[C@H]2C[N@H+](CC3CC3)CC[C@H]2[NH2+]1 307629923 166105274 /nfs/dbraw/zinc/10/52/74/166105274.db2.gz NMUHTJHNELODBT-WDEREUQCSA-N 2 0 180.295 1.080 10 0 ADAERP C1C[C@H]([NH2+][C@H]2CC3CCC2CC3)C[NH2+]1 306468444 166106375 /nfs/dbraw/zinc/10/63/75/166106375.db2.gz MSGQFXBTMUIDGA-QQFIATSDSA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[NH2+]1 306468442 166106492 /nfs/dbraw/zinc/10/64/92/166106492.db2.gz MSGQFXBTMUIDGA-MMVSWEMESA-N 2 0 194.322 1.517 10 0 ADAERP C1C[C@H]2C[N@H+](CC3CC3)CC[C@@H]2[NH2+]1 307629922 166107020 /nfs/dbraw/zinc/10/70/20/166107020.db2.gz NMUHTJHNELODBT-QWRGUYRKSA-N 2 0 180.295 1.080 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133083147 343911472 /nfs/dbraw/zinc/91/14/72/343911472.db2.gz MXMXUKUIJSSPEV-GHMZBOCLSA-N 2 0 184.327 1.559 10 0 ADAERP CC(C)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 133083348 343911558 /nfs/dbraw/zinc/91/15/58/343911558.db2.gz MXMXUKUIJSSPEV-WDEREUQCSA-N 2 0 184.327 1.559 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CC=CC1 133113308 343912025 /nfs/dbraw/zinc/91/20/25/343912025.db2.gz OKCJFVCODVLRLS-ZJUUUORDSA-N 2 0 180.295 1.517 10 0 ADAERP C1CC([NH2+]CC[C@H]2CCC[NH2+]2)C1 52212214 166082607 /nfs/dbraw/zinc/08/26/07/166082607.db2.gz YZYUQOUMWXDCRM-SNVBAGLBSA-N 2 0 168.284 1.271 10 0 ADAERP C1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 307531383 166082609 /nfs/dbraw/zinc/08/26/09/166082609.db2.gz XFFKSXYQFUITSG-VXGBXAGGSA-N 2 0 194.322 1.470 10 0 ADAERP CC(=[NH2+])Nc1cccc(CC[NH3+])c1 13780424 166230496 /nfs/dbraw/zinc/23/04/96/166230496.db2.gz AIFNQRPPUHOXAT-UHFFFAOYSA-N 2 0 177.251 1.597 10 0 ADAERP CC(=[NH2+])Nc1cccc(C[NH3+])c1 3826186 166230635 /nfs/dbraw/zinc/23/06/35/166230635.db2.gz XPQAJKGBNGGGQF-UHFFFAOYSA-N 2 0 163.224 1.554 10 0 ADAERP CC(=[NH2+])Nc1ccc(C[NH3+])cc1 13780422 166231429 /nfs/dbraw/zinc/23/14/29/166231429.db2.gz GLCULUKDRPGZSJ-UHFFFAOYSA-N 2 0 163.224 1.554 10 0 ADAERP CC(=[NH2+])Nc1cccc(C(N)=[NH2+])c1 13780452 166231641 /nfs/dbraw/zinc/23/16/41/166231641.db2.gz LUISSIAJYDEMRS-UHFFFAOYSA-N 2 0 176.223 1.380 10 0 ADAERP CC(C)(C)C1CCC([NH3+])(C[NH3+])CC1 35676977 166348661 /nfs/dbraw/zinc/34/86/61/166348661.db2.gz OUKLAEIAHBYXCP-UHFFFAOYSA-N 2 0 184.327 1.879 10 0 ADAERP CC(C)(C)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 31994453 166350265 /nfs/dbraw/zinc/35/02/65/166350265.db2.gz YMIGAYLKGMLDLM-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)(C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 11888298 166350810 /nfs/dbraw/zinc/35/08/10/166350810.db2.gz WKAJJVURADEUDF-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)(C)C[N@@H+]1CCC[C@H](C[NH3+])C1 11888300 166351731 /nfs/dbraw/zinc/35/17/31/166351731.db2.gz WKAJJVURADEUDF-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)(C)C[NH+]1CCC[NH2+]CCC1 49667098 166351944 /nfs/dbraw/zinc/35/19/44/166351944.db2.gz XZFFRYZAQRWPAO-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP CC(C)(C)C[N@@H+]1CC[C@H](C[NH3+])C1 40494678 166351989 /nfs/dbraw/zinc/35/19/89/166351989.db2.gz YQGFPQYRDICNNM-SECBINFHSA-N 2 0 170.300 1.313 10 0 ADAERP CC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994451 166352033 /nfs/dbraw/zinc/35/20/33/166352033.db2.gz YMIGAYLKGMLDLM-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)(C)C[N@@H+]1CC[C@@H](C[NH3+])C1 40494679 166352357 /nfs/dbraw/zinc/35/23/57/166352357.db2.gz YQGFPQYRDICNNM-VIFPVBQESA-N 2 0 170.300 1.313 10 0 ADAERP CC(C)(C)C[NH2+]CC(C)(C)[NH3+] 40926092 166353313 /nfs/dbraw/zinc/35/33/13/166353313.db2.gz VLNNWBMFNOKDQT-UHFFFAOYSA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)(C)C[NH2+]C1CCC([NH3+])CC1 51694532 166353373 /nfs/dbraw/zinc/35/33/73/166353373.db2.gz IAONNRYMDNGHSC-UHFFFAOYSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)C[NH2+]CC[NH2+]CC1CC1 40494995 166353836 /nfs/dbraw/zinc/35/38/36/166353836.db2.gz ONFSWLLRJYIRDH-UHFFFAOYSA-N 2 0 184.327 1.622 10 0 ADAERP CC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]1 42172345 166353849 /nfs/dbraw/zinc/35/38/49/166353849.db2.gz VUEWBIGMIXOFTR-SNVBAGLBSA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)(C)C[NH2+]CC[C@@H]1CCC[NH2+]1 42172342 166353932 /nfs/dbraw/zinc/35/39/32/166353932.db2.gz VUEWBIGMIXOFTR-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)(C)C[NH2+]CC1CC[NH2+]CC1 40494940 166354366 /nfs/dbraw/zinc/35/43/66/166354366.db2.gz QXYZQZGYVIBQPL-UHFFFAOYSA-N 2 0 184.327 1.622 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@](C)([NH3+])C1CC1 40494997 166354441 /nfs/dbraw/zinc/35/44/41/166354441.db2.gz QJQPBPATBLIGNT-LLVKDONJSA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)(C)C[NH2+]C[C@@H]1CC[NH2+]C1 62117069 166354500 /nfs/dbraw/zinc/35/45/00/166354500.db2.gz FXCORQSSSSCKNO-SECBINFHSA-N 2 0 170.300 1.232 10 0 ADAERP CC(C)(C)C[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 41051913 166354668 /nfs/dbraw/zinc/35/46/68/166354668.db2.gz WAYJMXMQAZTXCB-FGWVZKOKSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)(C)C[NH2+]C[C@](C)([NH3+])C1CC1 40494996 166354690 /nfs/dbraw/zinc/35/46/90/166354690.db2.gz QJQPBPATBLIGNT-NSHDSACASA-N 2 0 184.327 1.750 10 0 ADAERP CC(C)(C)C[NH2+]C[C@H]1CC[NH2+]C1 62117070 166355032 /nfs/dbraw/zinc/35/50/32/166355032.db2.gz FXCORQSSSSCKNO-VIFPVBQESA-N 2 0 170.300 1.232 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 53010274 166358611 /nfs/dbraw/zinc/35/86/11/166358611.db2.gz JSLPBCQCXHBHBS-SNVBAGLBSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)(C)[N@@H+]1CCC2(CC[NH2+]CC2)C1 82531069 166358974 /nfs/dbraw/zinc/35/89/74/166358974.db2.gz LHKROOGRPSIYHE-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@@H](CC[NH3+])C1 77264166 166359201 /nfs/dbraw/zinc/35/92/01/166359201.db2.gz RXRQLTJWUDZDJV-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629169 166359745 /nfs/dbraw/zinc/35/97/45/166359745.db2.gz CLEWQPVDDHEQHX-ZACCUICWSA-N 2 0 196.338 1.844 10 0 ADAERP CC(C)(C)[NH+]1CCC(CC[NH3+])CC1 71499588 166360091 /nfs/dbraw/zinc/36/00/91/166360091.db2.gz WGSQEOFDVYVWMX-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)(C)[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 54627045 166360151 /nfs/dbraw/zinc/36/01/51/166360151.db2.gz JLYHTXBXEPMQMQ-PBINXNQUSA-N 2 0 182.311 1.739 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@H](CC[NH3+])C1 77264163 166360162 /nfs/dbraw/zinc/36/01/62/166360162.db2.gz RXRQLTJWUDZDJV-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)(C)[NH+]1CCC[NH2+]CCC1 49662971 166360266 /nfs/dbraw/zinc/36/02/66/166360266.db2.gz GRYHXSJHITVTEK-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 53010278 166361026 /nfs/dbraw/zinc/36/10/26/166361026.db2.gz JSLPBCQCXHBHBS-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)(C)[NH2+]CC1CCC([NH3+])CC1 40398182 166361966 /nfs/dbraw/zinc/36/19/66/166361966.db2.gz HNRZZHUKQTTXIY-UHFFFAOYSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 70503190 166364744 /nfs/dbraw/zinc/36/47/44/166364744.db2.gz GNBMQQXWTZXXMD-NXEZZACHSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)[NH2+]CC[C@@H]1CCC[NH2+]1 42172253 166364801 /nfs/dbraw/zinc/36/48/01/166364801.db2.gz XXNRLXFZNUAEJU-VIFPVBQESA-N 2 0 170.300 1.517 10 0 ADAERP 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/nfs/dbraw/zinc/36/59/23/166365923.db2.gz GNBMQQXWTZXXMD-VHSXEESVSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)[NH2+]CCC[NH2+]C1CCC1 52212434 166366068 /nfs/dbraw/zinc/36/60/68/166366068.db2.gz JZVFSZXGOMSERV-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 53012516 166366696 /nfs/dbraw/zinc/36/66/96/166366696.db2.gz KBRYEQJAIKKPHI-SNVBAGLBSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)(C)[NH2+]CC[C@@H]1CCC[NH2+]C1 54309148 166366893 /nfs/dbraw/zinc/36/68/93/166366893.db2.gz FRAVNDRLHXUNHW-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)(C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1 77270199 166375526 /nfs/dbraw/zinc/37/55/26/166375526.db2.gz ZOFVPYVMEVJPGS-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)(C)c1ccc(C[NH3+])c(C[NH3+])c1 44250106 166383776 /nfs/dbraw/zinc/38/37/76/166383776.db2.gz AYTGYNLPXIUKEC-UHFFFAOYSA-N 2 0 192.306 1.902 10 0 ADAERP CC(C)(CC[NH3+])CCC[NH3+] 39236496 166392128 /nfs/dbraw/zinc/39/21/28/166392128.db2.gz OWRGRHKXXGTEHA-UHFFFAOYSA-N 2 0 144.262 1.100 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@H]2CC[C@@H]1C2 49716022 166393815 /nfs/dbraw/zinc/39/38/15/166393815.db2.gz TWLBBVBKSYBAQB-DTWKUNHWSA-N 2 0 168.284 1.208 10 0 ADAERP CC(C)(C[NH3+])C[NH2+]C(C)(C)C 17438519 166393932 /nfs/dbraw/zinc/39/39/32/166393932.db2.gz AHQWTUPOBPOQQE-UHFFFAOYSA-N 2 0 158.289 1.359 10 0 ADAERP CC(C)(C[NH3+])[C@@H]([NH3+])c1ccccc1 38434199 166394358 /nfs/dbraw/zinc/39/43/58/166394358.db2.gz WYRPKSLQELDTSV-JTQLQIEISA-N 2 0 178.279 1.671 10 0 ADAERP CC(C)(C[NH3+])C[N@@H+]1C[C@H]2CC[C@@H]1C2 51253120 166394418 /nfs/dbraw/zinc/39/44/18/166394418.db2.gz PWGRQCQPXDCEAK-VHSXEESVSA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)(C[NH3+])Nc1cc[nH+]cc1 26480931 166394717 /nfs/dbraw/zinc/39/47/17/166394717.db2.gz HAHFPLIZURZIMK-UHFFFAOYSA-N 2 0 165.240 1.231 10 0 ADAERP CC(C)(C[NH3+])C[NH+]1CCSCC1 51214301 166394738 /nfs/dbraw/zinc/39/47/38/166394738.db2.gz BXBORBNPUBYONQ-UHFFFAOYSA-N 2 0 188.340 1.020 10 0 ADAERP CC(C)(C[NH3+])C[NH+]1CCCCC1 20438756 166395176 /nfs/dbraw/zinc/39/51/76/166395176.db2.gz RCQHOZMGOIOTHO-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CC(C)(C[NH3+])[C@H]([NH3+])c1ccccc1 38434197 166397963 /nfs/dbraw/zinc/39/79/63/166397963.db2.gz WYRPKSLQELDTSV-SNVBAGLBSA-N 2 0 178.279 1.671 10 0 ADAERP CC(C)(C[NH2+]C1CC1)C[NH+]1CCCC1 51208068 166397976 /nfs/dbraw/zinc/39/79/76/166397976.db2.gz MVGYOVBXYFSKIL-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)([NH3+])CCC(C)(C)[NH3+] 2535663 166398973 /nfs/dbraw/zinc/39/89/73/166398973.db2.gz JWTVQZQPKHXGFM-UHFFFAOYSA-N 2 0 144.262 1.241 10 0 ADAERP [NH3+]CCC1(C[NH3+])CCCCC1 133728432 343925629 /nfs/dbraw/zinc/92/56/29/343925629.db2.gz GGKYFXJCWHPRGI-UHFFFAOYSA-N 2 0 156.273 1.244 10 0 ADAERP CC(C)CC[NH2+]CCCC[NH3+] 2013802 166444646 /nfs/dbraw/zinc/44/46/46/166444646.db2.gz PWKFXMIDHMQCMX-UHFFFAOYSA-N 2 0 158.289 1.361 10 0 ADAERP CC(C)CC[NH2+]C1CC[NH2+]CC1 38040541 166446238 /nfs/dbraw/zinc/44/62/38/166446238.db2.gz CWLGSMSIROEVBR-UHFFFAOYSA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)C[N@H+](C)CCCC[NH3+] 37099091 166455794 /nfs/dbraw/zinc/45/57/94/166455794.db2.gz FSYDCGRKZLOFJZ-UHFFFAOYSA-N 2 0 158.289 1.313 10 0 ADAERP CC(C)C[NH+](CCC(N)=[NH2+])CC(C)C 42034169 166457846 /nfs/dbraw/zinc/45/78/46/166457846.db2.gz GOWSYBVOLOBMHP-UHFFFAOYSA-N 2 0 199.342 1.926 10 0 ADAERP CC(C)C[NH+]1CCC2(CC[NH2+]C2)CC1 201319285 166462158 /nfs/dbraw/zinc/46/21/58/166462158.db2.gz FGMSCJKMEQPEQT-UHFFFAOYSA-N 2 0 196.338 1.718 10 0 ADAERP CC(C)C[NH2+]C[C@@H]([NH3+])CC(C)C 40408552 166471118 /nfs/dbraw/zinc/47/11/18/166471118.db2.gz HJPXWDZDQQDRNY-JTQLQIEISA-N 2 0 172.316 1.605 10 0 ADAERP CC(C)C[NH2+]C[C@@H](C)CC[NH3+] 49804667 166471633 /nfs/dbraw/zinc/47/16/33/166471633.db2.gz GPXVVFQSUGFSJS-VIFPVBQESA-N 2 0 158.289 1.217 10 0 ADAERP CC(C)[N@H+](CCCC[NH3+])CC1CC1 42563214 166513929 /nfs/dbraw/zinc/51/39/29/166513929.db2.gz KENJCULKNJTOOK-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)[NH+]1CCC(C[NH2+]C2CC2)CC1 53660076 166522299 /nfs/dbraw/zinc/52/22/99/166522299.db2.gz VHIUNFXVFPCPLL-UHFFFAOYSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[N@@H+]1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 100246642 166523511 /nfs/dbraw/zinc/52/35/11/166523511.db2.gz WEQKLIQRKVMVTR-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[NH2+]C(C)(C)C[C@H](C)[NH3+] 17412010 166536593 /nfs/dbraw/zinc/53/65/93/166536593.db2.gz FAXMAGSAFLZSNW-QMMMGPOBSA-N 2 0 158.289 1.500 10 0 ADAERP CC(C)[NH2+]CCCC[NH2+]C1CCC1 52212437 166538058 /nfs/dbraw/zinc/53/80/58/166538058.db2.gz UXDWSGSOOMYAST-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)[NH2+]CC[C@@H]1CCC[NH2+]C1 54309150 166539268 /nfs/dbraw/zinc/53/92/68/166539268.db2.gz ZWNUOPUOLVKTGL-JTQLQIEISA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)[NH2+]CC[C@H]1CCC[NH2+]C1 54309151 166540972 /nfs/dbraw/zinc/54/09/72/166540972.db2.gz ZWNUOPUOLVKTGL-SNVBAGLBSA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)[NH2+]CCC[C@@H]1CCCC[NH2+]1 50952868 166541510 /nfs/dbraw/zinc/54/15/10/166541510.db2.gz KNBXRKXNBUUQHM-NSHDSACASA-N 2 0 184.327 1.907 10 0 ADAERP CC(C)[NH2+]Cc1cccc(C[NH3+])c1 45206591 166544067 /nfs/dbraw/zinc/54/40/67/166544067.db2.gz VKWIGHYBZWUQJO-UHFFFAOYSA-N 2 0 178.279 1.643 10 0 ADAERP CC(C)[NH2+]Cc1ccccc1C[NH3+] 45206584 166544294 /nfs/dbraw/zinc/54/42/94/166544294.db2.gz OFWAFJDYBQVZOF-UHFFFAOYSA-N 2 0 178.279 1.643 10 0 ADAERP CC(C)[C@@H](C)[NH2+]CCCC[NH+](C)C 45663289 166571473 /nfs/dbraw/zinc/57/14/73/166571473.db2.gz SQPLWFUQIRGAPH-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP CC(C)[C@H](C)[NH2+]CCCC[NH+](C)C 45663291 166600143 /nfs/dbraw/zinc/60/01/43/166600143.db2.gz SQPLWFUQIRGAPH-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC1(C)CC(CC[NH3+])CC(C)(C)[NH2+]1 39247556 166670644 /nfs/dbraw/zinc/67/06/44/166670644.db2.gz LCSNESAHHGTVLP-UHFFFAOYSA-N 2 0 184.327 1.892 10 0 ADAERP CC1(C)CC[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 129586895 166679451 /nfs/dbraw/zinc/67/94/51/166679451.db2.gz JFNVKRZFKCFOBO-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)C[C@@H]([NH3+])C[C@@](C)([NH3+])C1 17418110 166685089 /nfs/dbraw/zinc/68/50/89/166685089.db2.gz DNMWKVLCHRNMFF-VXNVDRBHSA-N 2 0 156.273 1.241 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CCCCCC[NH3+] 45137872 166686597 /nfs/dbraw/zinc/68/65/97/166686597.db2.gz VCYUYMLQPWYLEJ-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 54309238 166687647 /nfs/dbraw/zinc/68/76/47/166687647.db2.gz NYRKPEODKFZCPP-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)C[C@H]([NH3+])C[C@@](C)([NH3+])C1 17418113 166689328 /nfs/dbraw/zinc/68/93/28/166689328.db2.gz DNMWKVLCHRNMFF-IONNQARKSA-N 2 0 156.273 1.241 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC1CCC([NH3+])CC1 45137996 166691019 /nfs/dbraw/zinc/69/10/19/166691019.db2.gz UXXULUWZUHHVOB-VQXHTEKXSA-N 2 0 196.338 1.892 10 0 ADAERP CC1(C)[C@@H](CC[NH3+])CC[C@]1(C)[NH3+] 34091822 166698367 /nfs/dbraw/zinc/69/83/67/166698367.db2.gz GUVXRTZEZHKKHP-SCZZXKLOSA-N 2 0 170.300 1.489 10 0 ADAERP CC1(C[NH3+])CC[NH+](C(C)(C)C)CC1 77271741 166703704 /nfs/dbraw/zinc/70/37/04/166703704.db2.gz NEWGKZPHILUNPZ-UHFFFAOYSA-N 2 0 184.327 1.846 10 0 ADAERP CC1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 335034869 166707154 /nfs/dbraw/zinc/70/71/54/166707154.db2.gz ZUMFMRIJOAPOHE-VHSXEESVSA-N 2 0 182.311 1.646 10 0 ADAERP CC1=CC[N@H+](CC2CC[NH2+]CC2)CC1 75423267 166726055 /nfs/dbraw/zinc/72/60/55/166726055.db2.gz MLUKTGHQSKLDRT-UHFFFAOYSA-N 2 0 194.322 1.638 10 0 ADAERP CC1CC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 307339697 166744777 /nfs/dbraw/zinc/74/47/77/166744777.db2.gz IJWSKPKVVWOYAO-WIFZPCQCSA-N 2 0 182.311 1.373 10 0 ADAERP CC1CC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 307339695 166745189 /nfs/dbraw/zinc/74/51/89/166745189.db2.gz IJWSKPKVVWOYAO-LIZLNQBYSA-N 2 0 182.311 1.373 10 0 ADAERP CC1CC[NH+](CCC[C@@H](C)[NH3+])CC1 45598578 166748399 /nfs/dbraw/zinc/74/83/99/166748399.db2.gz FFPYBDGDZALGCK-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC1CC[NH+](CCCCC(N)=[NH2+])CC1 49579622 166748402 /nfs/dbraw/zinc/74/84/02/166748402.db2.gz MLUNTIOTTRYKMI-UHFFFAOYSA-N 2 0 197.326 1.825 10 0 ADAERP CC1CC[NH+](C[C@H]2CCC[C@H]2[NH3+])CC1 53860966 166749092 /nfs/dbraw/zinc/74/90/92/166749092.db2.gz HOHWBXDFDGCTQX-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP CC1CC[NH+]([C@H](C)CCC[NH3+])CC1 52377064 166751577 /nfs/dbraw/zinc/75/15/77/166751577.db2.gz GKKVKCXBPZNPJI-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC1CC[NH+]([C@H](C)CC(N)=[NH2+])CC1 48249622 166752776 /nfs/dbraw/zinc/75/27/76/166752776.db2.gz LIUARZRARUPLCD-SECBINFHSA-N 2 0 183.299 1.433 10 0 ADAERP CCCCC1([NH3+])CC[NH+](C)CC1 19688810 166847382 /nfs/dbraw/zinc/84/73/82/166847382.db2.gz LWCBMOUAWJWZCK-UHFFFAOYSA-N 2 0 170.300 1.600 10 0 ADAERP CCCCC[NH2+]CCC[NH+](C)C 20054115 166867441 /nfs/dbraw/zinc/86/74/41/166867441.db2.gz PDPPVZCIQVCXPY-UHFFFAOYSA-N 2 0 172.316 1.718 10 0 ADAERP CCCC[NH2+]CC[C@H](C)[NH3+] 40410052 166898053 /nfs/dbraw/zinc/89/80/53/166898053.db2.gz PBWJOWTZONVRFL-QMMMGPOBSA-N 2 0 144.262 1.113 10 0 ADAERP CCCC[C@@H]([NH3+])C[NH2+]CC(C)C 40408738 166917279 /nfs/dbraw/zinc/91/72/79/166917279.db2.gz DXRUQXWBCGSHBC-SNVBAGLBSA-N 2 0 172.316 1.750 10 0 ADAERP CCCC[C@H]([NH3+])CCC[NH3+] 13509423 166927494 /nfs/dbraw/zinc/92/74/94/166927494.db2.gz YWUZKDXKGNGBKS-QMMMGPOBSA-N 2 0 144.262 1.243 10 0 ADAERP CCC[N@H+](C)CC[C@H]1CCC[NH2+]1 42172007 166942182 /nfs/dbraw/zinc/94/21/82/166942182.db2.gz WNHBPXZHGRGSMX-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP CCC[NH+]1CCC([NH2+][C@H]2C[C@H]2C)CC1 52269829 166960961 /nfs/dbraw/zinc/96/09/61/166960961.db2.gz ZAEYPTKQNBQIIJ-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[NH+]1CCC2(CC1)C[NH2+]C2 95937467 166963407 /nfs/dbraw/zinc/96/34/07/166963407.db2.gz CZJXESDLYVZQSV-UHFFFAOYSA-N 2 0 168.284 1.082 10 0 ADAERP CCC[NH2+]CCCC1CC[NH2+]CC1 50952855 166986479 /nfs/dbraw/zinc/98/64/79/166986479.db2.gz HUTGXTNVEHCFBD-UHFFFAOYSA-N 2 0 184.327 1.766 10 0 ADAERP CCC[NH2+]CCCC[NH2+]CCC 2560589 166986708 /nfs/dbraw/zinc/98/67/08/166986708.db2.gz OHTVZIMDFZDLPB-UHFFFAOYSA-N 2 0 172.316 1.766 10 0 ADAERP CCC[NH2+]CCC[C@@H]1CCC[NH2+]C1 49842973 166988159 /nfs/dbraw/zinc/98/81/59/166988159.db2.gz PQKMHMULJBSUDM-LLVKDONJSA-N 2 0 184.327 1.766 10 0 ADAERP CCC[NH2+]CCC[C@H]1CCCC[NH2+]1 50952859 166988969 /nfs/dbraw/zinc/98/89/69/166988969.db2.gz LSBOOXPWXPKFAV-LLVKDONJSA-N 2 0 184.327 1.908 10 0 ADAERP CCC[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 70503186 166989781 /nfs/dbraw/zinc/98/97/81/166989781.db2.gz JNUFGRHTLGIBPI-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP CCC[NH2+]Cc1cccc(C[NH3+])c1 45206592 166989945 /nfs/dbraw/zinc/98/99/45/166989945.db2.gz BRVURJNAXPIIDB-UHFFFAOYSA-N 2 0 178.279 1.645 10 0 ADAERP CCC[NH2+]Cc1ccc(C[NH3+])cc1 40397952 166990585 /nfs/dbraw/zinc/99/05/85/166990585.db2.gz HWBZUXOEHJEPAV-UHFFFAOYSA-N 2 0 178.279 1.645 10 0 ADAERP CCC[NH2+]Cc1ccccc1C[NH3+] 45206583 166990961 /nfs/dbraw/zinc/99/09/61/166990961.db2.gz WBIXPYVRKJAMDQ-UHFFFAOYSA-N 2 0 178.279 1.645 10 0 ADAERP CCC[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 70503185 166991759 /nfs/dbraw/zinc/99/17/59/166991759.db2.gz JNUFGRHTLGIBPI-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP CCC[NH2+][C@H](C)CC[N@H+](C)C1CC1 43823891 166999903 /nfs/dbraw/zinc/99/99/03/166999903.db2.gz JKWZPLVLPHSWRD-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[NH2+][C@H](CC)CN(C)CC 50179170 167000015 /nfs/dbraw/zinc/00/00/15/167000015.db2.gz VBPZMKHUDPQMPT-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CCC[NH2+][C@H](C)[C@H](C)N(C)CC 43821217 167000049 /nfs/dbraw/zinc/00/00/49/167000049.db2.gz HDUACJLWQUKUSS-ZJUUUORDSA-N 2 0 172.316 1.715 10 0 ADAERP CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 37208457 167000486 /nfs/dbraw/zinc/00/04/86/167000486.db2.gz MAWIPMKLJXLXAK-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[NH2+][C@H](C)CC[N@H+](C)CC 43821155 167000585 /nfs/dbraw/zinc/00/05/85/167000585.db2.gz PWSCUZPKUKVDFH-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CCC[NH2+][C@H](C)[C@H](C)N(C)C1CC1 43823956 167000771 /nfs/dbraw/zinc/00/07/71/167000771.db2.gz CZVCMGKTPUVKNW-ZJUUUORDSA-N 2 0 184.327 1.857 10 0 ADAERP CCC[NH2+][C@H](C)CC[NH+](C)C 49553418 167000872 /nfs/dbraw/zinc/00/08/72/167000872.db2.gz MGTKHJXEMIJNBL-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CCC[NH2+][C@H](CC)CN(C)C1CC1 50179182 167001005 /nfs/dbraw/zinc/00/10/05/167001005.db2.gz SWXRAJVTAGDWOW-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 73657376 167001926 /nfs/dbraw/zinc/00/19/26/167001926.db2.gz RKCVRKGTJLKODB-BDAKNGLRSA-N 2 0 156.273 1.127 10 0 ADAERP CCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 36997060 167001964 /nfs/dbraw/zinc/00/19/64/167001964.db2.gz FIRIUWVICGCWRT-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP CCC[NH2+][C@H]1CCCC[NH2+]C1 54135145 167002288 /nfs/dbraw/zinc/00/22/88/167002288.db2.gz HPWMHIFWLWMONS-VIFPVBQESA-N 2 0 156.273 1.128 10 0 ADAERP CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C[C@@H]1C 49708980 167003358 /nfs/dbraw/zinc/00/33/58/167003358.db2.gz QKLALEQHONKPKL-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 73657381 167003678 /nfs/dbraw/zinc/00/36/78/167003678.db2.gz RKCVRKGTJLKODB-IUCAKERBSA-N 2 0 156.273 1.127 10 0 ADAERP CCC[NH2+][C@H]1CCC[N@H+](C)CC1 76598297 167003821 /nfs/dbraw/zinc/00/38/21/167003821.db2.gz VXGFFRAXTRWGQW-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CCCSCC[NH2+]CCC[NH3+] 27211419 167023541 /nfs/dbraw/zinc/02/35/41/167023541.db2.gz ZFQDTSCSEAESJH-UHFFFAOYSA-N 2 0 176.329 1.068 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)CCC[NH3+] 51297681 167028550 /nfs/dbraw/zinc/02/85/50/167028550.db2.gz KLQYIANFCMFHRV-SNVBAGLBSA-N 2 0 172.316 1.703 10 0 ADAERP CCC[C@@H](C)C[NH2+]CCC[NH2+]C 83340138 167030221 /nfs/dbraw/zinc/03/02/21/167030221.db2.gz XFQDFPARHSQGOF-SNVBAGLBSA-N 2 0 172.316 1.622 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)C[C@@H](C)C(N)=[NH2+] 51320857 167030636 /nfs/dbraw/zinc/03/06/36/167030636.db2.gz BALPDRONLIQWNE-NXEZZACHSA-N 2 0 199.342 1.926 10 0 ADAERP CCC[C@@H](C)C[NH+]1CCC([NH3+])CC1 49954043 167030678 /nfs/dbraw/zinc/03/06/78/167030678.db2.gz KKKXWTLQUKCTLA-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)CCC(N)=[NH2+] 51320846 167030696 /nfs/dbraw/zinc/03/06/96/167030696.db2.gz YDTTVOGEVOCTGG-SECBINFHSA-N 2 0 185.315 1.680 10 0 ADAERP CCC[C@@H](C)C[N@H+](C)C[C@@H](C)C[NH3+] 51297832 167030851 /nfs/dbraw/zinc/03/08/51/167030851.db2.gz GMUPABBXJHFFIU-MNOVXSKESA-N 2 0 186.343 1.949 10 0 ADAERP CCC[C@@H](C)[NH+]1CCC([NH3+])CC1 19473121 167031170 /nfs/dbraw/zinc/03/11/70/167031170.db2.gz ZDZMLXGLYCRCJJ-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 19430333 167031628 /nfs/dbraw/zinc/03/16/28/167031628.db2.gz GOBKASBERBCZDS-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@@H](C)[N@H+](C)CCC[NH2+]C 42409623 167031965 /nfs/dbraw/zinc/03/19/65/167031965.db2.gz DVEMITZGQCWEGZ-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CCC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 34651168 167032027 /nfs/dbraw/zinc/03/20/27/167032027.db2.gz GOBKASBERBCZDS-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 36790855 167032063 /nfs/dbraw/zinc/03/20/63/167032063.db2.gz FICJOLAYGXIBGX-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[C@@H](C)[NH+]1CCC([NH2+]C)CC1 37241042 167033247 /nfs/dbraw/zinc/03/32/47/167033247.db2.gz VIFYLUSLGYPUGT-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CCC[C@@H](C)[NH+]1CCC[NH2+]CCC1 49663954 167033835 /nfs/dbraw/zinc/03/38/35/167033835.db2.gz ZJELJCIUPOUJLF-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CCC[C@@H](C)[NH2+]CCC[NH3+] 37713409 167036397 /nfs/dbraw/zinc/03/63/97/167036397.db2.gz AYTJXMVXSTXBEN-MRVPVSSYSA-N 2 0 144.262 1.113 10 0 ADAERP CCC[C@@H](CC)[NH+]1CCC([NH3+])CC1 50404947 167037830 /nfs/dbraw/zinc/03/78/30/167037830.db2.gz LKRYYQVIGIHTBL-LLVKDONJSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+][C@H]1CC1(C)C 45137927 167043400 /nfs/dbraw/zinc/04/34/00/167043400.db2.gz VVHCZSUCSPATSQ-BDAKNGLRSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]C(C)C 40407460 167043814 /nfs/dbraw/zinc/04/38/14/167043814.db2.gz QAAKTOCNMIPRTN-MRVPVSSYSA-N 2 0 144.262 1.112 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]C(C1CC1)C1CC1 49237959 167043993 /nfs/dbraw/zinc/04/39/93/167043993.db2.gz UBQSQTILKCXJGN-LLVKDONJSA-N 2 0 196.338 1.892 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]C1CCC1 52212370 167044710 /nfs/dbraw/zinc/04/47/10/167044710.db2.gz GLFIDOODSPLVLR-MRVPVSSYSA-N 2 0 156.273 1.256 10 0 ADAERP CCC[C@@H]([NH3+])CC[NH+](C)C 59521338 167044839 /nfs/dbraw/zinc/04/48/39/167044839.db2.gz ZLNYAYUHRGEPKE-MRVPVSSYSA-N 2 0 144.262 1.066 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]CCc1ccco1 42594398 167044929 /nfs/dbraw/zinc/04/49/29/167044929.db2.gz SZTRHSIVOGDJSN-SNVBAGLBSA-N 2 0 196.294 1.539 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+][C@@H]1CC1(C)C 45137923 167045463 /nfs/dbraw/zinc/04/54/63/167045463.db2.gz VVHCZSUCSPATSQ-RKDXNWHRSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[C@@H]([NH3+])C[NH2+]CC(C)(C)C 40494988 167045699 /nfs/dbraw/zinc/04/56/99/167045699.db2.gz OEVBMUABWSVWPL-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP CCC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C 37911207 167045833 /nfs/dbraw/zinc/04/58/33/167045833.db2.gz ZAMMRPQSNBKLCJ-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@@H]([NH3+])[C@H](CC)[NH+](C)C 19266098 167047139 /nfs/dbraw/zinc/04/71/39/167047139.db2.gz QYCNDSRONDZJDX-BDAKNGLRSA-N 2 0 158.289 1.454 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H](CC)C[NH3+] 75529732 167047955 /nfs/dbraw/zinc/04/79/55/167047955.db2.gz DIKQYXQNRSMPGZ-JGVFFNPUSA-N 2 0 144.262 1.099 10 0 ADAERP CCC[C@@H]([NH3+])[C@H]([NH3+])CCC 39406435 167048041 /nfs/dbraw/zinc/04/80/41/167048041.db2.gz NHOGRGYHBHZMIL-HTQZYQBOSA-N 2 0 144.262 1.241 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H](CC)[NH+](C)C 19266094 167048099 /nfs/dbraw/zinc/04/80/99/167048099.db2.gz QYCNDSRONDZJDX-RKDXNWHRSA-N 2 0 158.289 1.454 10 0 ADAERP CCC[C@@H]([NH3+])[C@H](CC)[NH+]1CCCC1 19281421 167048205 /nfs/dbraw/zinc/04/82/05/167048205.db2.gz QAFMKQBXRCKXFZ-MNOVXSKESA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@@H]([NH3+])[C@H](CC)C[NH3+] 75529738 167048845 /nfs/dbraw/zinc/04/88/45/167048845.db2.gz DIKQYXQNRSMPGZ-HTQZYQBOSA-N 2 0 144.262 1.099 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H](CC)[NH+]1CCCC1 19281417 167049003 /nfs/dbraw/zinc/04/90/03/167049003.db2.gz QAFMKQBXRCKXFZ-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H]([NH+](C)C)C1 37743089 167053829 /nfs/dbraw/zinc/05/38/29/167053829.db2.gz MDKHKFVNDRIHGU-OUAUKWLOSA-N 2 0 184.327 1.844 10 0 ADAERP CCC[C@@H]1CCN(C)C[C@@H]1[NH3+] 76591960 167054013 /nfs/dbraw/zinc/05/40/13/167054013.db2.gz OLVADODBMKRDKJ-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CCC[C@@H]1CC[N@H+](CCN)C1 77261025 167054296 /nfs/dbraw/zinc/05/42/96/167054296.db2.gz ORNPSRAJNWEAKH-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH+]1CCCC1 37480778 167057490 /nfs/dbraw/zinc/05/74/90/167057490.db2.gz BRRFWZABTLNOGT-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH2+][C@@H]1CC1(C)C 45137988 167057651 /nfs/dbraw/zinc/05/76/51/167057651.db2.gz QGCYSYKSFQNHEU-MWLCHTKSSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[C@@](C)(C[NH3+])C[NH+](C)C 51214404 167058049 /nfs/dbraw/zinc/05/80/49/167058049.db2.gz XVNQNDDNOIUYJR-VIFPVBQESA-N 2 0 158.289 1.313 10 0 ADAERP CCC[C@@](C)([NH3+])C[N@@H+]1CCC[C@@H]1C 37911225 167058260 /nfs/dbraw/zinc/05/82/60/167058260.db2.gz ISPMFFLBUAQLPI-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@@](C)(C[NH2+]C)C[NH+](C)C 51214376 167058342 /nfs/dbraw/zinc/05/83/42/167058342.db2.gz ZLSRFYWKYSDCQS-JTQLQIEISA-N 2 0 172.316 1.574 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH2+][C@H]1CC1(C)C 45137992 167058440 /nfs/dbraw/zinc/05/84/40/167058440.db2.gz QGCYSYKSFQNHEU-GXSJLCMTSA-N 2 0 184.327 1.892 10 0 ADAERP CCC[C@@](C)(C[NH3+])C[NH+]1CCCC1 51208052 167059024 /nfs/dbraw/zinc/05/90/24/167059024.db2.gz LNZWDFLUMXPWOZ-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH2+]C1CCC1 52212430 167059459 /nfs/dbraw/zinc/05/94/59/167059459.db2.gz QGQIETSORUUXQT-SNVBAGLBSA-N 2 0 170.300 1.646 10 0 ADAERP CCC[C@@](C)(C[NH2+]CC)C[NH+](C)C 51214378 167059533 /nfs/dbraw/zinc/05/95/33/167059533.db2.gz ZBGGIDWIAXDFGL-NSHDSACASA-N 2 0 186.343 1.964 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH+]1CCCCC1 37480874 167060116 /nfs/dbraw/zinc/06/01/16/167060116.db2.gz CSYNSXZAPWVLRJ-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP CCC[C@@](C)(C[NH3+])C[N@H+](C)CC 51214958 167060224 /nfs/dbraw/zinc/06/02/24/167060224.db2.gz IQUFJEQKDUINNJ-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP CCC[C@@](C)(C[NH2+]C)C[N@H+](C)CC 51214928 167060237 /nfs/dbraw/zinc/06/02/37/167060237.db2.gz WMDLYMFHBCGKGA-NSHDSACASA-N 2 0 186.343 1.964 10 0 ADAERP CCC[C@@](C)(C[NH3+])C[N@H+](C)C1CC1 51215150 167060283 /nfs/dbraw/zinc/06/02/83/167060283.db2.gz FEUZQHMFCWSXSY-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@](C)([NH3+])C[NH2+]CC 40409387 167060423 /nfs/dbraw/zinc/06/04/23/167060423.db2.gz ZMFZLMVUDXQIFT-MRVPVSSYSA-N 2 0 144.262 1.113 10 0 ADAERP CCC[C@@]12CC[C@@H](C[C@H]([NH3+])[C@@H]1C)[NH2+]2 83418066 167062369 /nfs/dbraw/zinc/06/23/69/167062369.db2.gz WKRMEBOKJMMZBY-XWLWVQCSSA-N 2 0 182.311 1.644 10 0 ADAERP CCC[C@@]1(C[NH3+])CC[N@H+](C)C1 77261032 167062505 /nfs/dbraw/zinc/06/25/05/167062505.db2.gz GUOBGHWFPGGLMA-VIFPVBQESA-N 2 0 156.273 1.067 10 0 ADAERP CCC[C@@]1(C[NH3+])CCC[N@H+](C)C1 77264108 167062689 /nfs/dbraw/zinc/06/26/89/167062689.db2.gz HZVUXADEVYXQIC-JTQLQIEISA-N 2 0 170.300 1.457 10 0 ADAERP CCC[C@H](C)C[N@H+](C)C[C@@H](C)C(N)=[NH2+] 51320858 167063672 /nfs/dbraw/zinc/06/36/72/167063672.db2.gz BALPDRONLIQWNE-VHSXEESVSA-N 2 0 199.342 1.926 10 0 ADAERP CCC[C@H](C)C[N@H+](C)C[C@@H](C)C[NH3+] 51297833 167063839 /nfs/dbraw/zinc/06/38/39/167063839.db2.gz GMUPABBXJHFFIU-QWRGUYRKSA-N 2 0 186.343 1.949 10 0 ADAERP CCC[C@H](C)C[N@H+](C)CCC(N)=[NH2+] 51320848 167064196 /nfs/dbraw/zinc/06/41/96/167064196.db2.gz YDTTVOGEVOCTGG-VIFPVBQESA-N 2 0 185.315 1.680 10 0 ADAERP CCC[C@H](C)C[NH2+]CCC[NH2+]C 83340139 167064672 /nfs/dbraw/zinc/06/46/72/167064672.db2.gz XFQDFPARHSQGOF-JTQLQIEISA-N 2 0 172.316 1.622 10 0 ADAERP CCC[C@H](C)C[NH+]1CCC([NH3+])CC1 49954044 167064718 /nfs/dbraw/zinc/06/47/18/167064718.db2.gz KKKXWTLQUKCTLA-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@H](C)C[N@H+](C)CCC[NH3+] 51297683 167064910 /nfs/dbraw/zinc/06/49/10/167064910.db2.gz KLQYIANFCMFHRV-JTQLQIEISA-N 2 0 172.316 1.703 10 0 ADAERP CCC[C@H](C)[NH+]1CCC([NH3+])CC1 19473123 167066157 /nfs/dbraw/zinc/06/61/57/167066157.db2.gz ZDZMLXGLYCRCJJ-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CCC[C@H](C)[N@H+](C)CCC[NH2+]C 42409624 167066860 /nfs/dbraw/zinc/06/68/60/167066860.db2.gz DVEMITZGQCWEGZ-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP CCC[C@H](C)[NH+]1CCC[NH2+]CCC1 49663956 167066965 /nfs/dbraw/zinc/06/69/65/167066965.db2.gz ZJELJCIUPOUJLF-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CCC[C@H](C)[N@H+](C)C1CC[NH2+]CC1 36790856 167067774 /nfs/dbraw/zinc/06/77/74/167067774.db2.gz FICJOLAYGXIBGX-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CCC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 34651169 167067925 /nfs/dbraw/zinc/06/79/25/167067925.db2.gz GOBKASBERBCZDS-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@H](C)[NH+]1CCC([NH2+]C)CC1 37241044 167068596 /nfs/dbraw/zinc/06/85/96/167068596.db2.gz VIFYLUSLGYPUGT-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 19430335 167068793 /nfs/dbraw/zinc/06/87/93/167068793.db2.gz GOBKASBERBCZDS-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[C@H](C)[NH2+]CCC[NH3+] 37713410 167070644 /nfs/dbraw/zinc/07/06/44/167070644.db2.gz AYTJXMVXSTXBEN-QMMMGPOBSA-N 2 0 144.262 1.113 10 0 ADAERP CCC[C@H](CC)[NH+]1CCC([NH3+])CC1 50404950 167075319 /nfs/dbraw/zinc/07/53/19/167075319.db2.gz LKRYYQVIGIHTBL-NSHDSACASA-N 2 0 184.327 1.988 10 0 ADAERP CCC[C@H]([NH3+])CC[NH+](C)C 59521337 167079266 /nfs/dbraw/zinc/07/92/66/167079266.db2.gz ZLNYAYUHRGEPKE-QMMMGPOBSA-N 2 0 144.262 1.066 10 0 ADAERP CCC[C@H]([NH3+])[C@H]([NH3+])CCC 39406433 167081039 /nfs/dbraw/zinc/08/10/39/167081039.db2.gz NHOGRGYHBHZMIL-OCAPTIKFSA-N 2 0 144.262 1.241 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+]C1CCC1 52212367 167081151 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45205581 167273359 /nfs/dbraw/zinc/27/33/59/167273359.db2.gz UDHIFZNNDLGIBH-UHFFFAOYSA-N 2 0 182.267 1.451 10 0 ADAERP CC[NH2+]C[C@](C)(CC)C[NH+](C)C 51214452 167273438 /nfs/dbraw/zinc/27/34/38/167273438.db2.gz GYWBGGZPODJWFX-JTQLQIEISA-N 2 0 172.316 1.574 10 0 ADAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 53034378 167273861 /nfs/dbraw/zinc/27/38/61/167273861.db2.gz CLOKCPMSTAVNRG-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+]Cc1ccc(C[NH3+])cc1 40409233 167273962 /nfs/dbraw/zinc/27/39/62/167273962.db2.gz CQTUQIDUFRIJKG-UHFFFAOYSA-N 2 0 164.252 1.255 10 0 ADAERP CC[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 70503223 167274072 /nfs/dbraw/zinc/27/40/72/167274072.db2.gz PFBFVMRBFJYOBL-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP CC[NH2+]Cc1ccc(OCC[NH3+])cc1 41206845 167274214 /nfs/dbraw/zinc/27/42/14/167274214.db2.gz WTBRSQNFZWQIQX-UHFFFAOYSA-N 2 0 194.278 1.134 10 0 ADAERP CC[NH2+]Cc1ccc(C[NH+](C)C)s1 45206483 167274307 /nfs/dbraw/zinc/27/43/07/167274307.db2.gz UQAZKEGLEXYXIH-UHFFFAOYSA-N 2 0 198.335 1.919 10 0 ADAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CCC2)C1 53035216 167274312 /nfs/dbraw/zinc/27/43/12/167274312.db2.gz ZXIZPKYDJVAVGU-SNVBAGLBSA-N 2 0 182.311 1.470 10 0 ADAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 37485320 167275044 /nfs/dbraw/zinc/27/50/44/167275044.db2.gz UHRQYANQQODHMS-SECBINFHSA-N 2 0 168.284 1.080 10 0 ADAERP CC[NH2+]C[C@H]1CC[N@@H+](C(C)(C)C)C1 53010291 167275146 /nfs/dbraw/zinc/27/51/46/167275146.db2.gz SAJIXGFTRMIADT-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CCCC2)C1 53012536 167275323 /nfs/dbraw/zinc/27/53/23/167275323.db2.gz DGEMRBSKTJIJAU-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+]C[C@](C)(CC)C[N@H+](C)CC 51215012 167275711 /nfs/dbraw/zinc/27/57/11/167275711.db2.gz UUNSWKBBLHQPAU-NSHDSACASA-N 2 0 186.343 1.964 10 0 ADAERP CC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 40621949 167275719 /nfs/dbraw/zinc/27/57/19/167275719.db2.gz HBNPRPSZHJPXCD-SNVBAGLBSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 70503221 167275782 /nfs/dbraw/zinc/27/57/82/167275782.db2.gz PFBFVMRBFJYOBL-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP CC[NH2+]Cc1ccccc1C[NH3+] 45206582 167276644 /nfs/dbraw/zinc/27/66/44/167276644.db2.gz QLNIHMPJJJJKME-UHFFFAOYSA-N 2 0 164.252 1.255 10 0 ADAERP CC[NH2+]Cc1cccc(OCC[NH3+])c1 41206843 167276732 /nfs/dbraw/zinc/27/67/32/167276732.db2.gz FNPPXFBVBZMEQW-UHFFFAOYSA-N 2 0 194.278 1.134 10 0 ADAERP CC[NH2+]Cc1cccc(C[NH+](C)C)c1 20216496 167276955 /nfs/dbraw/zinc/27/69/55/167276955.db2.gz WLDQKNLGWWBYAN-UHFFFAOYSA-N 2 0 192.306 1.858 10 0 ADAERP CC[NH2+]Cc1ccccc1C[NH+](C)C 20128649 167277763 /nfs/dbraw/zinc/27/77/63/167277763.db2.gz ULNNQKQGCPSOHF-UHFFFAOYSA-N 2 0 192.306 1.858 10 0 ADAERP CC[NH2+]Cc1cccc(C[NH3+])c1 45206590 167277773 /nfs/dbraw/zinc/27/77/73/167277773.db2.gz RSPABAQGDLBNIK-UHFFFAOYSA-N 2 0 164.252 1.255 10 0 ADAERP CC[NH2+]Cc1ccc2c(c1)C[N@@H+](C)C2 58011731 167278076 /nfs/dbraw/zinc/27/80/76/167278076.db2.gz PINXAVOATCOXDB-UHFFFAOYSA-N 2 0 190.290 1.742 10 0 ADAERP CC[NH2+]Cc1sccc1C[NH+](C)C 45205665 167279022 /nfs/dbraw/zinc/27/90/22/167279022.db2.gz TVGLAHLVBCIHQM-UHFFFAOYSA-N 2 0 198.335 1.919 10 0 ADAERP CC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 37208476 167279495 /nfs/dbraw/zinc/27/94/95/167279495.db2.gz FKSMTTGBCCWELV-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@@H](C)CC[N@H+](C)CC(C)C 43886958 167279696 /nfs/dbraw/zinc/27/96/96/167279696.db2.gz OELCXECLKFRAIP-NSHDSACASA-N 2 0 186.343 1.962 10 0 ADAERP CC[NH2+][C@@H](C)CCC[NH+]1CCCC1 45598604 167280092 /nfs/dbraw/zinc/28/00/92/167280092.db2.gz XUVPNCFRKKPCCP-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CC[NH2+][C@@H](C)CCC[NH+](C)C 45598924 167280366 /nfs/dbraw/zinc/28/03/66/167280366.db2.gz HURBNEGPVUVPGH-VIFPVBQESA-N 2 0 158.289 1.326 10 0 ADAERP CC[NH2+][C@@H](C)CC[N@H+](CC)C1CC1 43822007 167281394 /nfs/dbraw/zinc/28/13/94/167281394.db2.gz LWIRZONKYACJEK-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)CC[N@H+](C)C1CC1 43823396 167281530 /nfs/dbraw/zinc/28/15/30/167281530.db2.gz ZRUWMSLINHBOAC-VIFPVBQESA-N 2 0 170.300 1.469 10 0 ADAERP CC[NH2+][C@@H](C)CC[N@@H+]1CCC[C@@H]1C 43903434 167282068 /nfs/dbraw/zinc/28/20/68/167282068.db2.gz LGZFPBFMHKFLSS-QWRGUYRKSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)CC[NH+]1CCCCC1 43814377 167282316 /nfs/dbraw/zinc/28/23/16/167282316.db2.gz CNPNDDQPNLPJPF-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP CC[NH2+][C@@H](C)CC[N@H+](C)C(C)C 43813583 167282342 /nfs/dbraw/zinc/28/23/42/167282342.db2.gz IFAFJGMNUXETEM-JTQLQIEISA-N 2 0 172.316 1.715 10 0 ADAERP CC[NH2+][C@@H](C)CCCC[NH+](C)C 45598918 167282559 /nfs/dbraw/zinc/28/25/59/167282559.db2.gz MVYDMKXOKPNXDK-JTQLQIEISA-N 2 0 172.316 1.716 10 0 ADAERP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C 43903508 167283482 /nfs/dbraw/zinc/28/34/82/167283482.db2.gz HAIDJMSWCIBOGB-GARJFASQSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC)C1 37208484 167283624 /nfs/dbraw/zinc/28/36/24/167283624.db2.gz YBIWJYVMJITBBJ-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@@H](C)C[N@@H+]1CCCC1(C)C 63066708 167284106 /nfs/dbraw/zinc/28/41/06/167284106.db2.gz ISNCRAGTJXUYOQ-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 43903516 167284355 /nfs/dbraw/zinc/28/43/55/167284355.db2.gz HAIDJMSWCIBOGB-DCAQKATOSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 37208488 167284380 /nfs/dbraw/zinc/28/43/80/167284380.db2.gz DEHPLXLJZPSKJW-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 37208486 167284758 /nfs/dbraw/zinc/28/47/58/167284758.db2.gz DEHPLXLJZPSKJW-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 37208482 167285495 /nfs/dbraw/zinc/28/54/95/167285495.db2.gz YBIWJYVMJITBBJ-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C[C@@H]1C 49694101 167289252 /nfs/dbraw/zinc/28/92/52/167289252.db2.gz QEIWEEWYJFUZHL-CMPLNLGQSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@@H]1C 49709009 167289445 /nfs/dbraw/zinc/28/94/45/167289445.db2.gz RISFQGOISJLOKZ-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C 49708948 167289548 /nfs/dbraw/zinc/28/95/48/167289548.db2.gz GAGYPODCWKQJFU-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694201 167289593 /nfs/dbraw/zinc/28/95/93/167289593.db2.gz PITJZPYBBRRRRU-GHMZBOCLSA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 75542959 167289611 /nfs/dbraw/zinc/28/96/11/167289611.db2.gz FGNWYDQLHPPJIL-RKDXNWHRSA-N 2 0 156.273 1.079 10 0 ADAERP CC[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C 49694187 167289626 /nfs/dbraw/zinc/28/96/26/167289626.db2.gz DIGXQUUNGYRLKM-WDEREUQCSA-N 2 0 184.327 1.715 10 0 ADAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H]1C 52289018 167289759 /nfs/dbraw/zinc/28/97/59/167289759.db2.gz GQFQKDYRXBQSJV-NNYUYHANSA-N 2 0 196.338 1.715 10 0 ADAERP CC[NH2+][C@@H]1CCC[N@H+](C)CC1 76592032 167289850 /nfs/dbraw/zinc/28/98/50/167289850.db2.gz OAOKQMPKPBMJLI-SECBINFHSA-N 2 0 156.273 1.080 10 0 ADAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1C 52210768 167289887 /nfs/dbraw/zinc/28/98/87/167289887.db2.gz ISBTWGPVZMGAFU-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 36997057 167290088 /nfs/dbraw/zinc/29/00/88/167290088.db2.gz CRPNVBNTTLNVKZ-NXEZZACHSA-N 2 0 168.284 1.223 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@H]1C 242648799 167290152 /nfs/dbraw/zinc/29/01/52/167290152.db2.gz RISFQGOISJLOKZ-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C 60743796 167290467 /nfs/dbraw/zinc/29/04/67/167290467.db2.gz DOWYSPLAZQSOPK-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+](C)C 60743803 167290682 /nfs/dbraw/zinc/29/06/82/167290682.db2.gz DOWYSPLAZQSOPK-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+](C)C 53864497 167290809 /nfs/dbraw/zinc/29/08/09/167290809.db2.gz HPEHSSIONJEAEQ-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H]1CC[C@H]([NH+](C)C)C1 75542955 167290932 /nfs/dbraw/zinc/29/09/32/167290932.db2.gz FGNWYDQLHPPJIL-BDAKNGLRSA-N 2 0 156.273 1.079 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+](C)C 53864502 167291021 /nfs/dbraw/zinc/29/10/21/167291021.db2.gz HPEHSSIONJEAEQ-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCCC1 53861011 167291132 /nfs/dbraw/zinc/29/11/32/167291132.db2.gz AEZOARPYKCSDNK-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C[C@@H]1C 49708974 167291341 /nfs/dbraw/zinc/29/13/41/167291341.db2.gz SOCACYRQLZXIDO-GXSJLCMTSA-N 2 0 182.311 1.469 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](CC)[C@H](C)C1 49708963 167291415 /nfs/dbraw/zinc/29/14/15/167291415.db2.gz UPDYRBLXXJCEPE-NXEZZACHSA-N 2 0 170.300 1.469 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](C)C1 49708999 167291497 /nfs/dbraw/zinc/29/14/97/167291497.db2.gz BBCMVAWZCIIHCJ-NXEZZACHSA-N 2 0 182.311 1.611 10 0 ADAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCCC1 53861007 167291997 /nfs/dbraw/zinc/29/19/97/167291997.db2.gz AEZOARPYKCSDNK-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C 242495312 167292063 /nfs/dbraw/zinc/29/20/63/167292063.db2.gz GAGYPODCWKQJFU-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 49694178 167292300 /nfs/dbraw/zinc/29/23/00/167292300.db2.gz GFIXYKWAEVBRHO-RKDXNWHRSA-N 2 0 156.273 1.079 10 0 ADAERP CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 36907439 167294280 /nfs/dbraw/zinc/29/42/80/167294280.db2.gz IKPQQDATSCQCNF-LPEHRKFASA-N 2 0 170.300 1.325 10 0 ADAERP CC[NH2+][C@H](C)CC[N@H+](C)CC 43820690 167295474 /nfs/dbraw/zinc/29/54/74/167295474.db2.gz KWPXBOIRLRCFGE-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CC[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H]1C 43903438 167296105 /nfs/dbraw/zinc/29/61/05/167296105.db2.gz LGZFPBFMHKFLSS-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 37208487 167296205 /nfs/dbraw/zinc/29/62/05/167296205.db2.gz DEHPLXLJZPSKJW-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@H](C)CC[NH+]1CCCCC1 43814379 167296217 /nfs/dbraw/zinc/29/62/17/167296217.db2.gz CNPNDDQPNLPJPF-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC[NH2+][C@H](C)C[N@@H+]1CCCC1(C)C 63066709 167296430 /nfs/dbraw/zinc/29/64/30/167296430.db2.gz ISNCRAGTJXUYOQ-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@H](C)CCCC[NH+](C)C 45598919 167296662 /nfs/dbraw/zinc/29/66/62/167296662.db2.gz MVYDMKXOKPNXDK-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CC[NH2+][C@H](C)CC[N@H+](CC)C1CC1 43822010 167296693 /nfs/dbraw/zinc/29/66/93/167296693.db2.gz LWIRZONKYACJEK-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](CC)C1 37208485 167296794 /nfs/dbraw/zinc/29/67/94/167296794.db2.gz YBIWJYVMJITBBJ-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@H](C)CC[N@H+](C)C1CC1 43823401 167296807 /nfs/dbraw/zinc/29/68/07/167296807.db2.gz ZRUWMSLINHBOAC-SECBINFHSA-N 2 0 170.300 1.469 10 0 ADAERP CC[NH2+][C@H](C)CC[N@H+](C)C(C)C 43813585 167296841 /nfs/dbraw/zinc/29/68/41/167296841.db2.gz IFAFJGMNUXETEM-SNVBAGLBSA-N 2 0 172.316 1.715 10 0 ADAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC)C1 37208483 167296905 /nfs/dbraw/zinc/29/69/05/167296905.db2.gz YBIWJYVMJITBBJ-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@H](C)C1CC[NH+](CC)CC1 37208477 167297006 /nfs/dbraw/zinc/29/70/06/167297006.db2.gz FKSMTTGBCCWELV-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@H](C)CC[N@H+](C)CC(C)C 43886960 167297009 /nfs/dbraw/zinc/29/70/09/167297009.db2.gz OELCXECLKFRAIP-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP CC[NH2+][C@H](C)CCC[NH+](C)C 45598925 167297034 /nfs/dbraw/zinc/29/70/34/167297034.db2.gz HURBNEGPVUVPGH-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CC[NH2+][C@H](C)CCC[NH+]1CCCC1 45598605 167297043 /nfs/dbraw/zinc/29/70/43/167297043.db2.gz XUVPNCFRKKPCCP-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 43903521 167297313 /nfs/dbraw/zinc/29/73/13/167297313.db2.gz HAIDJMSWCIBOGB-AXFHLTTASA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 37208489 167297327 /nfs/dbraw/zinc/29/73/27/167297327.db2.gz DEHPLXLJZPSKJW-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C 43903512 167297372 /nfs/dbraw/zinc/29/73/72/167297372.db2.gz HAIDJMSWCIBOGB-HBNTYKKESA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694202 167300406 /nfs/dbraw/zinc/30/04/06/167300406.db2.gz PITJZPYBBRRRRU-MNOVXSKESA-N 2 0 184.327 1.857 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C 242495313 167300779 /nfs/dbraw/zinc/30/07/79/167300779.db2.gz GAGYPODCWKQJFU-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+](C)C 53864503 167300817 /nfs/dbraw/zinc/30/08/17/167300817.db2.gz HPEHSSIONJEAEQ-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC)[C@H](C)C1 49708965 167300976 /nfs/dbraw/zinc/30/09/76/167300976.db2.gz UPDYRBLXXJCEPE-ZJUUUORDSA-N 2 0 170.300 1.469 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC(C)C)C[C@@H]1C 49709011 167301140 /nfs/dbraw/zinc/30/11/40/167301140.db2.gz RISFQGOISJLOKZ-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+][C@H]1CCC[N@H+](C)CC1 76592035 167301272 /nfs/dbraw/zinc/30/12/72/167301272.db2.gz OAOKQMPKPBMJLI-VIFPVBQESA-N 2 0 156.273 1.080 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](C)C1 49709001 167301359 /nfs/dbraw/zinc/30/13/59/167301359.db2.gz BBCMVAWZCIIHCJ-ZJUUUORDSA-N 2 0 182.311 1.611 10 0 ADAERP CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 36997058 167301662 /nfs/dbraw/zinc/30/16/62/167301662.db2.gz CRPNVBNTTLNVKZ-VHSXEESVSA-N 2 0 168.284 1.223 10 0 ADAERP CC[NH2+][C@H]1CC[N@@H+](C2CCC2)C[C@@H]1C 52210771 167301722 /nfs/dbraw/zinc/30/17/22/167301722.db2.gz ISBTWGPVZMGAFU-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 49694180 167301780 /nfs/dbraw/zinc/30/17/80/167301780.db2.gz GFIXYKWAEVBRHO-BDAKNGLRSA-N 2 0 156.273 1.079 10 0 ADAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+](C)C 53864500 167301822 /nfs/dbraw/zinc/30/18/22/167301822.db2.gz HPEHSSIONJEAEQ-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC2CC2)C[C@@H]1C 49694102 167301967 /nfs/dbraw/zinc/30/19/67/167301967.db2.gz QEIWEEWYJFUZHL-JQWIXIFHSA-N 2 0 196.338 1.716 10 0 ADAERP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C 60743800 167302133 /nfs/dbraw/zinc/30/21/33/167302133.db2.gz DOWYSPLAZQSOPK-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C 49708949 167302185 /nfs/dbraw/zinc/30/21/85/167302185.db2.gz GAGYPODCWKQJFU-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCCC1 53861013 167302243 /nfs/dbraw/zinc/30/22/43/167302243.db2.gz AEZOARPYKCSDNK-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C 49694188 167302360 /nfs/dbraw/zinc/30/23/60/167302360.db2.gz DIGXQUUNGYRLKM-QWRGUYRKSA-N 2 0 184.327 1.715 10 0 ADAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H]1C 52289020 167302430 /nfs/dbraw/zinc/30/24/30/167302430.db2.gz GQFQKDYRXBQSJV-FIQHERPVSA-N 2 0 196.338 1.715 10 0 ADAERP CC[NH2+][C@H]1CC[N@H+](CC(C)C)C[C@H]1C 242648798 167302448 /nfs/dbraw/zinc/30/24/48/167302448.db2.gz RISFQGOISJLOKZ-NEPJUHHUSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCCC1 53861009 167302718 /nfs/dbraw/zinc/30/27/18/167302718.db2.gz AEZOARPYKCSDNK-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH2+][C@H]1CC[N@@H+](C2CC2)C[C@@H]1C 49708976 167302742 /nfs/dbraw/zinc/30/27/42/167302742.db2.gz SOCACYRQLZXIDO-ONGXEEELSA-N 2 0 182.311 1.469 10 0 ADAERP CC[NH2+][C@H]1CCCC[C@H]1C[NH+](C)C 60743804 167302864 /nfs/dbraw/zinc/30/28/64/167302864.db2.gz DOWYSPLAZQSOPK-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 75542962 167304905 /nfs/dbraw/zinc/30/49/05/167304905.db2.gz FGNWYDQLHPPJIL-DTWKUNHWSA-N 2 0 156.273 1.079 10 0 ADAERP CC[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 75542957 167305561 /nfs/dbraw/zinc/30/55/61/167305561.db2.gz FGNWYDQLHPPJIL-IUCAKERBSA-N 2 0 156.273 1.079 10 0 ADAERP CCOCCC[N@H+](C)[C@H](C)CC[NH3+] 49806340 167384955 /nfs/dbraw/zinc/38/49/55/167384955.db2.gz JFBKGKYPNWVRLY-SNVBAGLBSA-N 2 0 188.315 1.082 10 0 ADAERP CCOCCC[N@H+](C)[C@@H](C)CC[NH3+] 49806339 167385648 /nfs/dbraw/zinc/38/56/48/167385648.db2.gz JFBKGKYPNWVRLY-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP CC[C@@H](C(C)C)[NH+]1CCC([NH3+])CC1 37755120 167447086 /nfs/dbraw/zinc/44/70/86/167447086.db2.gz XYDCPLONYKMOJN-NSHDSACASA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@@H](C)[NH2+]CCCC[NH+](C)C 45662871 167472020 /nfs/dbraw/zinc/47/20/20/167472020.db2.gz LNZAISPJFCLZME-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP CC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 40407802 167472206 /nfs/dbraw/zinc/47/22/06/167472206.db2.gz COIXJRBMFLYLLE-NXEZZACHSA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@@H](C)[NH2+]CC1CC[NH2+]CC1 40407794 167474381 /nfs/dbraw/zinc/47/43/81/167474381.db2.gz IEICLOKHLZFTFT-SECBINFHSA-N 2 0 170.300 1.374 10 0 ADAERP CC[C@@H](CC[NH3+])[NH+]1CCCCC1 36677458 167506253 /nfs/dbraw/zinc/50/62/53/167506253.db2.gz MWEAUORWECRAKR-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CC[C@H](C)[NH2+]CC[C@H](C)C[NH3+] 49804660 167615807 /nfs/dbraw/zinc/61/58/07/167615807.db2.gz ZJDWRDRAGOYYJV-IUCAKERBSA-N 2 0 158.289 1.359 10 0 ADAERP CC[C@H](CCC[NH3+])[NH+](C)C 39079313 167642041 /nfs/dbraw/zinc/64/20/41/167642041.db2.gz KLJUVZPCSXYTQK-MRVPVSSYSA-N 2 0 144.262 1.066 10 0 ADAERP CC[C@H]([NH3+])CC[C@H]([NH3+])CC 44399634 167653621 /nfs/dbraw/zinc/65/36/21/167653621.db2.gz CAYKLQMXSZPJFS-OCAPTIKFSA-N 2 0 144.262 1.241 10 0 ADAERP CC[C@H]([NH3+])[C@@H](C)[NH+]1CCCC1 23066559 167657628 /nfs/dbraw/zinc/65/76/28/167657628.db2.gz GZPWUECYVMFUPA-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@](C)(C[NH3+])C[NH+]1CCCC1 51208050 167703643 /nfs/dbraw/zinc/70/36/43/167703643.db2.gz VYTYYDVFQIANPY-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP C[C@]1(C[NH2+]C2CC2)CCC[C@@H]1[NH3+] 134951098 343951983 /nfs/dbraw/zinc/95/19/83/343951983.db2.gz VWQGGHKFOVVYAB-VHSXEESVSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)[NH2+]C[C@]1(C)CCC[C@H]1[NH3+] 134950897 343951998 /nfs/dbraw/zinc/95/19/98/343951998.db2.gz AQXKUCYSOAYPQV-ZJUUUORDSA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)[NH2+]C[C@@]1(C)CCC[C@@H]1[NH3+] 134950876 343952040 /nfs/dbraw/zinc/95/20/40/343952040.db2.gz AQXKUCYSOAYPQV-VHSXEESVSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@@]1(C[NH2+]C2CC2)CCC[C@H]1[NH3+] 134951149 343952076 /nfs/dbraw/zinc/95/20/76/343952076.db2.gz VWQGGHKFOVVYAB-ZJUUUORDSA-N 2 0 168.284 1.256 10 0 ADAERP C[NH+](C)CCCCN1CCCC1=[NH2+] 45709162 167831609 /nfs/dbraw/zinc/83/16/09/167831609.db2.gz KUZLODVPFXGUHQ-UHFFFAOYSA-N 2 0 183.299 1.401 10 0 ADAERP C[NH+](C)CC(C)(C)C(C)(C)[NH3+] 17414172 167833576 /nfs/dbraw/zinc/83/35/76/167833576.db2.gz NJQKAJAMVFLHLS-UHFFFAOYSA-N 2 0 158.289 1.312 10 0 ADAERP C[NH+](C)CCC[C@H]1CCC[NH2+]1 52764294 167835385 /nfs/dbraw/zinc/83/53/85/167835385.db2.gz IQVRYZWBINJSPG-SECBINFHSA-N 2 0 156.273 1.080 10 0 ADAERP C[NH+](C)C[C@@H]1CCCCC[C@H]1[NH3+] 53864648 167842037 /nfs/dbraw/zinc/84/20/37/167842037.db2.gz GLADQBHOQXCBQZ-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)C[C@@H]1CCCCC[C@@H]1[NH3+] 53864644 167843340 /nfs/dbraw/zinc/84/33/40/167843340.db2.gz GLADQBHOQXCBQZ-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)C[C@@H]1CCC[C@H]([NH3+])C1 70503073 167844182 /nfs/dbraw/zinc/84/41/82/167844182.db2.gz OQXRMACHJKFJMN-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH+](C)Cc1ccc(C(N)=[NH2+])cc1F 19487084 167845534 /nfs/dbraw/zinc/84/55/34/167845534.db2.gz DZNLPBLDHLSTPG-UHFFFAOYSA-N 2 0 195.241 1.171 10 0 ADAERP C[NH+](C)Cc1ccccc1C(C)(C)[NH3+] 33487311 167846147 /nfs/dbraw/zinc/84/61/47/167846147.db2.gz AZMABQXUFTZOML-UHFFFAOYSA-N 2 0 192.306 1.942 10 0 ADAERP C[N@H+](CCCCC(N)=[NH2+])CC1CC1 49579761 167876533 /nfs/dbraw/zinc/87/65/33/167876533.db2.gz JZVUQWBFTYCMFW-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 82394740 167907347 /nfs/dbraw/zinc/90/73/47/167907347.db2.gz IQWIKONKNRNKLR-MNOVXSKESA-N 2 0 182.311 1.328 10 0 ADAERP C[N@@H+]1CC[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 76596830 167928098 /nfs/dbraw/zinc/92/80/98/167928098.db2.gz ZOABPDGLBFOLMU-AEJSXWLSSA-N 2 0 168.284 1.066 10 0 ADAERP C[N@@H+]1CC[C@](CC[NH3+])(c2ccco2)C1 77295477 167935526 /nfs/dbraw/zinc/93/55/26/167935526.db2.gz OOQKWMGDFVBXGA-NSHDSACASA-N 2 0 194.278 1.202 10 0 ADAERP C[N@@H+]1CCc2ccccc2[C@H]1CC[NH3+] 11802477 167936713 /nfs/dbraw/zinc/93/67/13/167936713.db2.gz JPDZZNNZQSJJNB-GFCCVEGCSA-N 2 0 190.290 1.564 10 0 ADAERP C[N@@H+]1C[C@@H]2C[NH2+]C[C@H](C1)C21CCCC1 75597220 167943471 /nfs/dbraw/zinc/94/34/71/167943471.db2.gz FGSIVDVCTHKSDX-PHIMTYICSA-N 2 0 194.322 1.328 10 0 ADAERP C[NH2+]C1CC[NH+]([C@@H](C)C2CC2)CC1 35733656 167983466 /nfs/dbraw/zinc/98/34/66/167983466.db2.gz OEDNSBLLUDJAND-VIFPVBQESA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+]C1CC[NH+]([C@@H]2CC2(C)C)CC1 45135295 167983497 /nfs/dbraw/zinc/98/34/97/167983497.db2.gz ALGHBKZAEWEZCR-SNVBAGLBSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+]CCCC[N@H+](C)CC(C)(C)C 45089705 167991319 /nfs/dbraw/zinc/99/13/19/167991319.db2.gz HAKQUBVPLZWZIT-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP C[NH2+]CCCC[NH2+]C1CCC1 52212393 167991359 /nfs/dbraw/zinc/99/13/59/167991359.db2.gz FIBGHRZSXVBYSW-UHFFFAOYSA-N 2 0 156.273 1.128 10 0 ADAERP C[NH2+]CCCC[NH2+]CCc1ccco1 42594412 167992529 /nfs/dbraw/zinc/99/25/29/167992529.db2.gz LQNRKKIHLYFAGQ-UHFFFAOYSA-N 2 0 196.294 1.411 10 0 ADAERP C[NH2+]CCCC[NH2+]C(C1CC1)C1CC1 49237970 167993045 /nfs/dbraw/zinc/99/30/45/167993045.db2.gz VTZVUTCXXLOIST-UHFFFAOYSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH2+]CCC[C@@H]1CCCC[NH2+]1 50952909 167994275 /nfs/dbraw/zinc/99/42/75/167994275.db2.gz OQIJRPOJUVGPLI-VIFPVBQESA-N 2 0 156.273 1.128 10 0 ADAERP C[NH2+]CC[C@H](C)[NH+]1CCCCC1 52421209 168000014 /nfs/dbraw/zinc/00/00/14/168000014.db2.gz LUSXPOMUCWLKAS-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+]CC[C@H](C)[NH+]1CCC(C)CC1 52376972 168000150 /nfs/dbraw/zinc/00/01/50/168000150.db2.gz MDMOLOBDOFSGFY-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 52421210 168000154 /nfs/dbraw/zinc/00/01/54/168000154.db2.gz LUSXPOMUCWLKAS-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+]CC[C@H]([NH3+])c1ccccc1 40409086 168000326 /nfs/dbraw/zinc/00/03/26/168000326.db2.gz KTFHZXPJTROSLD-JTQLQIEISA-N 2 0 164.252 1.296 10 0 ADAERP C[NH2+]CC[C@@H](C)[NH+]1CCCCCC1 52381879 168000733 /nfs/dbraw/zinc/00/07/33/168000733.db2.gz OBSXXBQACSLIKA-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@@H](C)C1 52484420 168000770 /nfs/dbraw/zinc/00/07/70/168000770.db2.gz RNDOWENPQYEGAE-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+]CCc1ccccc1C[NH+](C)C 82891751 168001325 /nfs/dbraw/zinc/00/13/25/168001325.db2.gz OSSVQZQFNMSEQH-UHFFFAOYSA-N 2 0 192.306 1.510 10 0 ADAERP C[NH2+]CCc1[nH+]c(C)c2ccccn12 82530260 168002201 /nfs/dbraw/zinc/00/22/01/168002201.db2.gz KPBLDQHRELOQFN-UHFFFAOYSA-N 2 0 189.262 1.405 10 0 ADAERP C[NH2+]CCc1ccc(C[NH+](C)C)cc1 82891750 168002393 /nfs/dbraw/zinc/00/23/93/168002393.db2.gz ZOILENUEAJKTKE-UHFFFAOYSA-N 2 0 192.306 1.510 10 0 ADAERP C[NH2+]C[C@@H](C)C[NH+]1CCC(C)CC1 52376897 168003273 /nfs/dbraw/zinc/00/32/73/168003273.db2.gz MKGRLUOVEJGDPI-LLVKDONJSA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]C[C@@H](C)C[NH+]1CCCCCC1 52381807 168003507 /nfs/dbraw/zinc/00/35/07/168003507.db2.gz ZNJGDFJDXAGOJL-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP C[NH2+]C[C@@H](C)C[NH+]1CCC(C)(C)CC1 61823288 168003633 /nfs/dbraw/zinc/00/36/33/168003633.db2.gz UGCUQURTTCZMCR-LLVKDONJSA-N 2 0 198.354 1.964 10 0 ADAERP C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 52377266 168003996 /nfs/dbraw/zinc/00/39/96/168003996.db2.gz WZHYSCCRCHYOGW-JTQLQIEISA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 52421172 168004158 /nfs/dbraw/zinc/00/41/58/168004158.db2.gz PNEMOOUWJHLMOP-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP C[NH2+]CCc1[nH+]cc2ccccn12 20263494 168004212 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/nfs/dbraw/zinc/03/19/30/168031930.db2.gz IBIXJPRXZYUDDW-JTQLQIEISA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)C(C)C 43813254 168032121 /nfs/dbraw/zinc/03/21/21/168032121.db2.gz NCGFGCYPNJDFCL-VIFPVBQESA-N 2 0 158.289 1.325 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43894823 168032154 /nfs/dbraw/zinc/03/21/54/168032154.db2.gz XMBCKWCQOVZGAG-UWVGGRQHSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@@H](C)CC[NH+]1CCCCC1 43814106 168032705 /nfs/dbraw/zinc/03/27/05/168032705.db2.gz NJRAELVDMAEYIB-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)C1CC1 43822903 168033069 /nfs/dbraw/zinc/03/30/69/168033069.db2.gz ARRJRUFRYAFNOA-QMMMGPOBSA-N 2 0 156.273 1.079 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)CC(C)C 43886689 168033227 /nfs/dbraw/zinc/03/32/27/168033227.db2.gz OCYSPAXCIRNLFE-JTQLQIEISA-N 2 0 172.316 1.572 10 0 ADAERP C[NH2+][C@@H](C)CC[NH+]1CCCCCC1 43812123 168033311 /nfs/dbraw/zinc/03/33/11/168033311.db2.gz OGHBCLQZSIHKIT-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP C[NH2+][C@@H](C)CC[N@H+](C)CC(C)(C)C 45072933 168033465 /nfs/dbraw/zinc/03/34/65/168033465.db2.gz GJXNYQXFDFCOFE-JTQLQIEISA-N 2 0 186.343 1.962 10 0 ADAERP C[NH2+][C@@H](C)Cc1[nH+]cc2ccccn12 20263489 168033524 /nfs/dbraw/zinc/03/35/24/168033524.db2.gz UNXJBRFYZTWQBP-VIFPVBQESA-N 2 0 189.262 1.485 10 0 ADAERP C[NH2+][C@@H](C)c1csc(CN(C)C)n1 70840924 168034294 /nfs/dbraw/zinc/03/42/94/168034294.db2.gz JZCLFNLOCSVUNA-ZETCQYMHSA-N 2 0 199.323 1.485 10 0 ADAERP C[NH2+][C@@H]1CCCCC[C@H]1C[NH+](C)C 53864655 168038807 /nfs/dbraw/zinc/03/88/07/168038807.db2.gz BHRAUIJGRWDMJL-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@@H]1CC=CC[C@H]1[NH+]1CCCC1 34103323 168038814 /nfs/dbraw/zinc/03/88/14/168038814.db2.gz CPVXSIYYYTZFMI-GHMZBOCLSA-N 2 0 180.295 1.389 10 0 ADAERP C[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](C)C 53864652 168038958 /nfs/dbraw/zinc/03/89/58/168038958.db2.gz BHRAUIJGRWDMJL-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@@H]1CC=CC[C@@H]1[NH+]1CCCC1 34103321 168039725 /nfs/dbraw/zinc/03/97/25/168039725.db2.gz CPVXSIYYYTZFMI-MNOVXSKESA-N 2 0 180.295 1.389 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](C)C1 49708993 168040163 /nfs/dbraw/zinc/04/01/63/168040163.db2.gz HKLYHRVJLXYQBK-DTWKUNHWSA-N 2 0 168.284 1.221 10 0 ADAERP C[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCCC1 60720680 168040215 /nfs/dbraw/zinc/04/02/15/168040215.db2.gz GQXZUAAVIRQQLY-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709025 168040224 /nfs/dbraw/zinc/04/02/24/168040224.db2.gz AHKWQBOWFXXLCG-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C(C)C)[C@@H](C)C1 49694198 168040242 /nfs/dbraw/zinc/04/02/42/168040242.db2.gz YFXBKYAMOZCAAD-VHSXEESVSA-N 2 0 170.300 1.467 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C2CCC2)[C@@H](C)C1 52210798 168040320 /nfs/dbraw/zinc/04/03/20/168040320.db2.gz AKXRWLILJXEUKD-VHSXEESVSA-N 2 0 182.311 1.611 10 0 ADAERP C[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)C1CC1 60744089 168040455 /nfs/dbraw/zinc/04/04/55/168040455.db2.gz NYRHVYBRIBDJBF-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCCC1 53861116 168040476 /nfs/dbraw/zinc/04/04/76/168040476.db2.gz PFMUJHORWREEDF-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 49709027 168040579 /nfs/dbraw/zinc/04/05/79/168040579.db2.gz AHKWQBOWFXXLCG-WDEREUQCSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC2CC2)[C@H](C)C1 49694111 168040704 /nfs/dbraw/zinc/04/07/04/168040704.db2.gz ZZBWRLMFVSJOEK-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C 26443019 168040752 /nfs/dbraw/zinc/04/07/52/168040752.db2.gz SCFHAZLKFCAJFJ-NXEZZACHSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCCC1 39629163 168040896 /nfs/dbraw/zinc/04/08/96/168040896.db2.gz MFOLKXSQEXMDIR-MNOVXSKESA-N 2 0 182.311 1.613 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC(C)C)C[C@H]1C 242543436 168040923 /nfs/dbraw/zinc/04/09/23/168040923.db2.gz JZXRKTDYCWWMAX-GHMZBOCLSA-N 2 0 184.327 1.572 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCCC1 53861114 168041012 /nfs/dbraw/zinc/04/10/12/168041012.db2.gz PFMUJHORWREEDF-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC2CCC2)[C@H](C)C1 49710581 168041036 /nfs/dbraw/zinc/04/10/36/168041036.db2.gz MZIGRXPDMYBGRI-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC2CC2)[C@@H](C)C1 49694112 168041157 /nfs/dbraw/zinc/04/11/57/168041157.db2.gz ZZBWRLMFVSJOEK-GXSJLCMTSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)C1CC1 53865479 168041197 /nfs/dbraw/zinc/04/11/97/168041197.db2.gz WNXFOVPKAPRXGX-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C)C12CCCCC2 39473126 168041420 /nfs/dbraw/zinc/04/14/20/168041420.db2.gz HRKBPEHIYKTYEH-SNVBAGLBSA-N 2 0 182.311 1.613 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C2CCC2)[C@H](C)C1 52210795 168041459 /nfs/dbraw/zinc/04/14/59/168041459.db2.gz AKXRWLILJXEUKD-NXEZZACHSA-N 2 0 182.311 1.611 10 0 ADAERP C[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)C1CC1 60744095 168041930 /nfs/dbraw/zinc/04/19/30/168041930.db2.gz NYRHVYBRIBDJBF-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCCC1 60720678 168041970 /nfs/dbraw/zinc/04/19/70/168041970.db2.gz GQXZUAAVIRQQLY-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCCCC1 53862518 168042068 /nfs/dbraw/zinc/04/20/68/168042068.db2.gz HEDDMOWHMRGBMN-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)[C@H](C)C1 49694134 168042095 /nfs/dbraw/zinc/04/20/95/168042095.db2.gz DVHBDKFSZQAHCJ-NXEZZACHSA-N 2 0 184.327 1.857 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC2(C)C)[C@@H](C)C1 45135331 168043572 /nfs/dbraw/zinc/04/35/72/168043572.db2.gz ICDSNWLGJXDRHS-HBNTYKKESA-N 2 0 196.338 1.857 10 0 ADAERP C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]21 216048492 168043704 /nfs/dbraw/zinc/04/37/04/168043704.db2.gz ZITNEXQPOKJERH-GARJFASQSA-N 2 0 196.338 1.715 10 0 ADAERP C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C(C)(C)C)C[C@@H]21 216048391 168043931 /nfs/dbraw/zinc/04/39/31/168043931.db2.gz ZITNEXQPOKJERH-OUAUKWLOSA-N 2 0 196.338 1.715 10 0 ADAERP C[NH2+][C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@H]12 96062802 168045538 /nfs/dbraw/zinc/04/55/38/168045538.db2.gz DNPBEYAQKFKPST-SDDRHHMPSA-N 2 0 188.274 1.264 10 0 ADAERP C[NH2+][C@@]1(CN)CCCc2ccccc21 50269925 168046819 /nfs/dbraw/zinc/04/68/19/168046819.db2.gz MGMLXXJMVWDNTC-GFCCVEGCSA-N 2 0 190.290 1.396 10 0 ADAERP C[NH2+][C@H](C)CCC[NH+]1CCCCC1 45598783 168048204 /nfs/dbraw/zinc/04/82/04/168048204.db2.gz DBDMHBPLEXNEAH-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[NH2+][C@H](C)CCC[N@H+](C)C(C)C 45598766 168048259 /nfs/dbraw/zinc/04/82/59/168048259.db2.gz ZXEWCHIATKTYKF-SNVBAGLBSA-N 2 0 172.316 1.715 10 0 ADAERP C[NH2+][C@H](C)CC[NH+]1CCCCCC1 43812124 168048311 /nfs/dbraw/zinc/04/83/11/168048311.db2.gz OGHBCLQZSIHKIT-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[NH2+][C@H](C)CCCC[NH+]1CCCC1 45598597 168048327 /nfs/dbraw/zinc/04/83/27/168048327.db2.gz UMUZDTVQZLUJJU-LLVKDONJSA-N 2 0 184.327 1.860 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)CC(C)(C)C 45072934 168048372 /nfs/dbraw/zinc/04/83/72/168048372.db2.gz GJXNYQXFDFCOFE-SNVBAGLBSA-N 2 0 186.343 1.962 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)CC(C)C 43886687 168048492 /nfs/dbraw/zinc/04/84/92/168048492.db2.gz OCYSPAXCIRNLFE-SNVBAGLBSA-N 2 0 172.316 1.572 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)CCC(C)C 43914683 168048511 /nfs/dbraw/zinc/04/85/11/168048511.db2.gz ILECYMSPMISQHD-LLVKDONJSA-N 2 0 186.343 1.962 10 0 ADAERP C[NH2+][C@H](C)CCCC[NH+](C)C 45598917 168048520 /nfs/dbraw/zinc/04/85/20/168048520.db2.gz VASFNNYXYPQDNN-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H]1C 43902814 168048535 /nfs/dbraw/zinc/04/85/35/168048535.db2.gz DDLTVFIWTSBLRB-ZJUUUORDSA-N 2 0 170.300 1.469 10 0 ADAERP C[NH2+][C@H](C)CC[NH+]1CCCCC1 43814107 168048557 /nfs/dbraw/zinc/04/85/57/168048557.db2.gz NJRAELVDMAEYIB-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+][C@H](C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 43804815 168048625 /nfs/dbraw/zinc/04/86/25/168048625.db2.gz MOWNECWZGCVPEB-IJLUTSLNSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43804809 168048909 /nfs/dbraw/zinc/04/89/09/168048909.db2.gz MOWNECWZGCVPEB-GRYCIOLGSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)C1CC1 43822905 168048923 /nfs/dbraw/zinc/04/89/23/168048923.db2.gz ARRJRUFRYAFNOA-MRVPVSSYSA-N 2 0 156.273 1.079 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)C(C)C 43813253 168049031 /nfs/dbraw/zinc/04/90/31/168049031.db2.gz NCGFGCYPNJDFCL-SECBINFHSA-N 2 0 158.289 1.325 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)C1CCCC1 43883804 168049214 /nfs/dbraw/zinc/04/92/14/168049214.db2.gz IBIXJPRXZYUDDW-SNVBAGLBSA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@H](C)CC[NH+]1CCC(C)CC1 39185217 168049238 /nfs/dbraw/zinc/04/92/38/168049238.db2.gz KWIZZPFXUJYEQM-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@H](C)CCC[NH+]1CCCC1 45598603 168049250 /nfs/dbraw/zinc/04/92/50/168049250.db2.gz BGXCNTWFWAASSM-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)[C@@H](C)C(C)C 43895442 168049259 /nfs/dbraw/zinc/04/92/59/168049259.db2.gz FJTRWUWLEIVONE-MNOVXSKESA-N 2 0 186.343 1.961 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1CCC[C@@H](C)C1 43811777 168049462 /nfs/dbraw/zinc/04/94/62/168049462.db2.gz CXKFEACAFYHLJL-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43894824 168049651 /nfs/dbraw/zinc/04/96/51/168049651.db2.gz XMBCKWCQOVZGAG-ZJUUUORDSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H](C)[C@H](C)N1CCCCCC1 43812146 168050035 /nfs/dbraw/zinc/05/00/35/168050035.db2.gz DQTBDHDVVOIRBE-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP C[NH2+][C@H](C)[C@H](C)N(C)C1CC1 43822968 168050354 /nfs/dbraw/zinc/05/03/54/168050354.db2.gz IYNGAOJWSYXCBJ-SFYZADRCSA-N 2 0 156.273 1.077 10 0 ADAERP C[NH2+][C@H](C)Cc1[nH+]cc2ccccn12 20263492 168050702 /nfs/dbraw/zinc/05/07/02/168050702.db2.gz UNXJBRFYZTWQBP-SECBINFHSA-N 2 0 189.262 1.485 10 0 ADAERP C[NH2+][C@H](C)[C@H](C)N(C)CC(C)C 43886718 168050937 /nfs/dbraw/zinc/05/09/37/168050937.db2.gz SIAASYIFEKLXFU-ZJUUUORDSA-N 2 0 172.316 1.571 10 0 ADAERP C[NH2+][C@H](C)[C@H](C)N1CCC[C@@H](C)C1 43811795 168051149 /nfs/dbraw/zinc/05/11/49/168051149.db2.gz QIFBGBSNUJCURS-MXWKQRLJSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H](C)c1csc(CN(C)C)n1 70840926 168052080 /nfs/dbraw/zinc/05/20/80/168052080.db2.gz JZCLFNLOCSVUNA-SSDOTTSWSA-N 2 0 199.323 1.485 10 0 ADAERP C[NH2+][C@H]1CC=CC[C@H]1[NH+]1CCCC1 34103324 168055120 /nfs/dbraw/zinc/05/51/20/168055120.db2.gz CPVXSIYYYTZFMI-WDEREUQCSA-N 2 0 180.295 1.389 10 0 ADAERP C[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)C1CC1 60744091 168055166 /nfs/dbraw/zinc/05/51/66/168055166.db2.gz NYRHVYBRIBDJBF-PWSUYJOCSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCCC1 60720679 168055230 /nfs/dbraw/zinc/05/52/30/168055230.db2.gz GQXZUAAVIRQQLY-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH2+][C@H]1CCCCC[C@H]1C[NH+](C)C 53864657 168055584 /nfs/dbraw/zinc/05/55/84/168055584.db2.gz BHRAUIJGRWDMJL-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@H]1CC=CC[C@@H]1[NH+]1CCCC1 34103322 168055949 /nfs/dbraw/zinc/05/59/49/168055949.db2.gz CPVXSIYYYTZFMI-QWRGUYRKSA-N 2 0 180.295 1.389 10 0 ADAERP C[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCCC1 39629165 168055961 /nfs/dbraw/zinc/05/59/61/168055961.db2.gz MFOLKXSQEXMDIR-QWRGUYRKSA-N 2 0 182.311 1.613 10 0 ADAERP C[NH2+][C@H]1CCCCC[C@@H]1C[NH+](C)C 53864653 168056280 /nfs/dbraw/zinc/05/62/80/168056280.db2.gz BHRAUIJGRWDMJL-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C 26443022 168056370 /nfs/dbraw/zinc/05/63/70/168056370.db2.gz SCFHAZLKFCAJFJ-ZJUUUORDSA-N 2 0 170.300 1.326 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](C2CCC2)[C@@H](C)C1 52210802 168056486 /nfs/dbraw/zinc/05/64/86/168056486.db2.gz AKXRWLILJXEUKD-UWVGGRQHSA-N 2 0 182.311 1.611 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C 49694185 168056509 /nfs/dbraw/zinc/05/65/09/168056509.db2.gz OJSLQPHTVXWJSQ-ZJUUUORDSA-N 2 0 170.300 1.325 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC2CC2)C[C@H]1C 49694099 168056520 /nfs/dbraw/zinc/05/65/20/168056520.db2.gz ZNFKBWMUNPRYOY-KOLCDFICSA-N 2 0 182.311 1.326 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C[C@H]1C 49713167 168056548 /nfs/dbraw/zinc/05/65/48/168056548.db2.gz BNCHTGOHWPNMDO-MNOVXSKESA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC2CCC2)C[C@@H]1C 49710557 168056565 /nfs/dbraw/zinc/05/65/65/168056565.db2.gz UOPYDJYSQJFTQP-JQWIXIFHSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C 49709042 168056604 /nfs/dbraw/zinc/05/66/04/168056604.db2.gz GSDTVSSCUCXNJO-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](C(C)C)[C@@H](C)C1 49694200 168056614 /nfs/dbraw/zinc/05/66/14/168056614.db2.gz YFXBKYAMOZCAAD-UWVGGRQHSA-N 2 0 170.300 1.467 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CCC(C)C)C[C@@H]1C 49707372 168056709 /nfs/dbraw/zinc/05/67/09/168056709.db2.gz LNUDAJQUXAYHLM-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C[C@H]1C 49694121 168056776 /nfs/dbraw/zinc/05/67/76/168056776.db2.gz BTEMHVQTZPXBGD-ZJUUUORDSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709029 168056803 /nfs/dbraw/zinc/05/68/03/168056803.db2.gz AHKWQBOWFXXLCG-MNOVXSKESA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 49709030 168056850 /nfs/dbraw/zinc/05/68/50/168056850.db2.gz AHKWQBOWFXXLCG-QWRGUYRKSA-N 2 0 184.327 1.715 10 0 ADAERP C[NH2+][C@H]1CCC[C@H]1C[N@H+](C)C1CC1 53865483 168056879 /nfs/dbraw/zinc/05/68/79/168056879.db2.gz WNXFOVPKAPRXGX-ONGXEEELSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694199 168056944 /nfs/dbraw/zinc/05/69/44/168056944.db2.gz YFXBKYAMOZCAAD-ZJUUUORDSA-N 2 0 170.300 1.467 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)[C@H](C)C1 49694136 168056954 /nfs/dbraw/zinc/05/69/54/168056954.db2.gz DVHBDKFSZQAHCJ-ZJUUUORDSA-N 2 0 184.327 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194.282 1.026 10 0 ADAERP C[C@@H](CNc1cc[nH+]cc1N)[NH+](C)C 45105872 168349435 /nfs/dbraw/zinc/34/94/35/168349435.db2.gz YZZJUDKLPJQDQQ-QMMMGPOBSA-N 2 0 194.282 1.026 10 0 ADAERP C[C@@H](CNc1cc[nH+]cc1)[NH+](C)C 38089184 168349504 /nfs/dbraw/zinc/34/95/04/168349504.db2.gz AGPRBFRMUGVRMZ-VIFPVBQESA-N 2 0 179.267 1.444 10 0 ADAERP C[C@@H](C[C@H]([NH3+])CN)c1ccccc1 44471856 168352645 /nfs/dbraw/zinc/35/26/45/168352645.db2.gz CKAVSXWCDGVIFT-ONGXEEELSA-N 2 0 178.279 1.466 10 0 ADAERP C[C@@H](C[C@@H]([NH3+])CN)c1ccccc1 44471862 168352795 /nfs/dbraw/zinc/35/27/95/168352795.db2.gz CKAVSXWCDGVIFT-GXSJLCMTSA-N 2 0 178.279 1.466 10 0 ADAERP C[C@@H](Cc1ccco1)[NH2+]CCC[NH3+] 42593933 168354092 /nfs/dbraw/zinc/35/40/92/168354092.db2.gz RHVVQHWWWXSPAO-VIFPVBQESA-N 2 0 182.267 1.149 10 0 ADAERP C[C@@H](Cc1ccco1)[NH2+]CC[C@@H](C)[NH3+] 42594122 168354121 /nfs/dbraw/zinc/35/41/21/168354121.db2.gz HFUIEEIRODUIAS-ZJUUUORDSA-N 2 0 196.294 1.538 10 0 ADAERP C[C@@H](Cc1ccco1)[NH2+]CCCC[NH3+] 42593928 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IQIRDGDKPJDLTJ-MRVPVSSYSA-N 2 0 144.262 1.066 10 0 ADAERP C[C@@H]([NH3+])CCCC[NH+]1CCCCC1 45598773 168360461 /nfs/dbraw/zinc/36/04/61/168360461.db2.gz LNECFHGWUNTEMR-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP C[C@@H]([NH3+])CCCC[NH+]1CCCC1 45598593 168360626 /nfs/dbraw/zinc/36/06/26/168360626.db2.gz JJLBRTMIVRFDFM-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP C[C@@H]([NH3+])CC(C)(C)[NH+](C)C 39257693 168361032 /nfs/dbraw/zinc/36/10/32/168361032.db2.gz LGECWILINPRWCC-SSDOTTSWSA-N 2 0 144.262 1.064 10 0 ADAERP C[C@@H]([NH3+])CC(C)(C)C[NH+](C)C 17412026 168361158 /nfs/dbraw/zinc/36/11/58/168361158.db2.gz DOJGSDGHLSSZSN-MRVPVSSYSA-N 2 0 158.289 1.312 10 0 ADAERP C[C@@H]([NH3+])CC[N@H+](C)C1CCCCC1 35221556 168361515 /nfs/dbraw/zinc/36/15/15/168361515.db2.gz IDYZVBJSNOOFTB-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@@H]([NH3+])CCC[NH+]1CCCC1 45598595 168361570 /nfs/dbraw/zinc/36/15/70/168361570.db2.gz HOJOFSQMXPZNEY-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP 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Cc1cccc2c1[C@@H](C[NH3+])C[NH2+]C2 58519004 168879501 /nfs/dbraw/zinc/87/95/01/168879501.db2.gz ZKLBKTLNINWEJP-JTQLQIEISA-N 2 0 176.263 1.141 10 0 ADAERP Cc1c[nH+]ccc1N1CC[C@H]([NH3+])[C@H]1C 306373334 168911624 /nfs/dbraw/zinc/91/16/24/168911624.db2.gz IVLWJVXZGDHFDH-ZJUUUORDSA-N 2 0 191.278 1.316 10 0 ADAERP Cc1c[nH+]ccc1NCC1([NH3+])CCC1 235824142 168911756 /nfs/dbraw/zinc/91/17/56/168911756.db2.gz JZJLZZDUENLDRD-UHFFFAOYSA-N 2 0 191.278 1.683 10 0 ADAERP Cc1c[nH+]ccc1N1C[C@@H]([NH3+])[C@H](C)C1 300048574 168912534 /nfs/dbraw/zinc/91/25/34/168912534.db2.gz LJRYUFFTAYUXJX-NXEZZACHSA-N 2 0 191.278 1.173 10 0 ADAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCCC1 306986595 168365685 /nfs/dbraw/zinc/36/56/85/168365685.db2.gz PBMHFTFZKCZQJT-HTQZYQBOSA-N 2 0 156.273 1.254 10 0 ADAERP Cc1[nH+]cc([C@H](C)CC[NH3+])n1C 82856042 168967751 /nfs/dbraw/zinc/96/77/51/168967751.db2.gz MLMQZZRVYMGWOZ-SSDOTTSWSA-N 2 0 167.256 1.181 10 0 ADAERP Cc1oc(C[N@@H+](C)C2CC2)cc1C[NH3+] 52445331 169008590 /nfs/dbraw/zinc/00/85/90/169008590.db2.gz ASXFXRKKFWVMML-UHFFFAOYSA-N 2 0 194.278 1.641 10 0 ADAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)C(C)C 52419616 169008671 /nfs/dbraw/zinc/00/86/71/169008671.db2.gz RMTCYQVFJXKLRU-UHFFFAOYSA-N 2 0 196.294 1.887 10 0 ADAERP Cc1oc(C[NH3+])cc1C[NH+]1CCCC1 52377452 169008981 /nfs/dbraw/zinc/00/89/81/169008981.db2.gz DLERVVFMSDDMOK-UHFFFAOYSA-N 2 0 194.278 1.643 10 0 ADAERP Cc1oc(C[N@@H+](C)C(C)C)cc1C[NH3+] 52419569 169009169 /nfs/dbraw/zinc/00/91/69/169009169.db2.gz ORTYKECFOKRCIL-UHFFFAOYSA-N 2 0 196.294 1.887 10 0 ADAERP Cc1oc(C[NH3+])cc1C[NH+](C)C 40539214 169009378 /nfs/dbraw/zinc/00/93/78/169009378.db2.gz IJGNSBGFDIMZFT-UHFFFAOYSA-N 2 0 168.240 1.108 10 0 ADAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)C1CC1 52445424 169009526 /nfs/dbraw/zinc/00/95/26/169009526.db2.gz YADYFBMGGCXCPD-UHFFFAOYSA-N 2 0 194.278 1.641 10 0 ADAERP Cc1oc(C[NH+](C)C)cc1C[NH3+] 52422712 169010092 /nfs/dbraw/zinc/01/00/92/169010092.db2.gz OABLZLPEPLFPKZ-UHFFFAOYSA-N 2 0 168.240 1.108 10 0 ADAERP Cc1oc(C[NH+]2CCCC2)cc1C[NH3+] 52377402 169010127 /nfs/dbraw/zinc/01/01/27/169010127.db2.gz ABLVNDWXIRZLNH-UHFFFAOYSA-N 2 0 194.278 1.643 10 0 ADAERP Cc1occc1C[N@H+](C)CCCC[NH3+] 42449220 169011477 /nfs/dbraw/zinc/01/14/77/169011477.db2.gz MQHJXUFWBNORAU-UHFFFAOYSA-N 2 0 196.294 1.759 10 0 ADAERP Cn1ccc([C@H]([NH3+])C2CC[NH2+]CC2)c1 71506616 169046011 /nfs/dbraw/zinc/04/60/11/169046011.db2.gz IZMWNCJRXZQRAZ-LLVKDONJSA-N 2 0 193.294 1.025 10 0 ADAERP Cn1ccc([C@@H]([NH3+])C2CC[NH2+]CC2)c1 71506617 169046462 /nfs/dbraw/zinc/04/64/62/169046462.db2.gz IZMWNCJRXZQRAZ-NSHDSACASA-N 2 0 193.294 1.025 10 0 ADAERP Cn1ccc([C@H](C[NH3+])N2CCCC2)c1 71506619 169046612 /nfs/dbraw/zinc/04/66/12/169046612.db2.gz UWQILHZLVOHYSL-NSHDSACASA-N 2 0 193.294 1.121 10 0 ADAERP Cn1ccc([C@@H](C[NH3+])N2CCCC2)c1 71506618 169046766 /nfs/dbraw/zinc/04/67/66/169046766.db2.gz UWQILHZLVOHYSL-LLVKDONJSA-N 2 0 193.294 1.121 10 0 ADAERP Cn1cc[nH+]c1NC1CCC([NH3+])CC1 51693679 169052147 /nfs/dbraw/zinc/05/21/47/169052147.db2.gz OAQLPUDVVXTDSE-UHFFFAOYSA-N 2 0 194.282 1.102 10 0 ADAERP Cn1cc[nH+]c1N[C@H]1CCCC[C@@H]1[NH3+] 50606827 169053605 /nfs/dbraw/zinc/05/36/05/169053605.db2.gz IETVSJZEDYVBGL-IUCAKERBSA-N 2 0 194.282 1.102 10 0 ADAERP Cn1cc[nH+]c1N[C@H]1CCCC[C@H]1[NH3+] 50606833 169053910 /nfs/dbraw/zinc/05/39/10/169053910.db2.gz IETVSJZEDYVBGL-BDAKNGLRSA-N 2 0 194.282 1.102 10 0 ADAERP Cn1cc[nH+]c1N[C@@H]1CCCC[C@H]1[NH3+] 50606830 169054540 /nfs/dbraw/zinc/05/45/40/169054540.db2.gz IETVSJZEDYVBGL-RKDXNWHRSA-N 2 0 194.282 1.102 10 0 ADAERP Cn1cc[nH+]c1N[C@@H]1CCCC[C@@H]1[NH3+] 50606825 169054569 /nfs/dbraw/zinc/05/45/69/169054569.db2.gz IETVSJZEDYVBGL-DTWKUNHWSA-N 2 0 194.282 1.102 10 0 ADAERP FCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306925606 169078183 /nfs/dbraw/zinc/07/81/83/169078183.db2.gz MVHPCQOQWMVABO-VHSXEESVSA-N 2 0 186.274 1.030 10 0 ADAERP FCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306925604 169078340 /nfs/dbraw/zinc/07/83/40/169078340.db2.gz MVHPCQOQWMVABO-NXEZZACHSA-N 2 0 186.274 1.030 10 0 ADAERP FCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306925605 169078649 /nfs/dbraw/zinc/07/86/49/169078649.db2.gz MVHPCQOQWMVABO-UWVGGRQHSA-N 2 0 186.274 1.030 10 0 ADAERP FCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306925607 169079295 /nfs/dbraw/zinc/07/92/95/169079295.db2.gz MVHPCQOQWMVABO-ZJUUUORDSA-N 2 0 186.274 1.030 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1[NH+]1CCCCC1 37157522 169216532 /nfs/dbraw/zinc/21/65/32/169216532.db2.gz QAAAENOFEXNQEL-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+]C[C@H]1CC[N@H+](CCc2ccco2)C1 42590368 169216543 /nfs/dbraw/zinc/21/65/43/169216543.db2.gz LTMIWKBCYDCEEP-SNVBAGLBSA-N 2 0 194.278 1.103 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H]2CCCC[N@@H+]2C1 39438948 169216562 /nfs/dbraw/zinc/21/65/62/169216562.db2.gz YWPNNMXVGPOGSU-ZJUUUORDSA-N 2 0 168.284 1.210 10 0 ADAERP [NH3+]C[C@H]1CCC[C@H]1[NH+]1CCCC1 37156903 169216566 /nfs/dbraw/zinc/21/65/66/169216566.db2.gz IFNKMASEQYBDOM-NXEZZACHSA-N 2 0 168.284 1.210 10 0 ADAERP 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138402161 343988822 /nfs/dbraw/zinc/98/88/22/343988822.db2.gz UQBQGSWIRRTCSB-NXEZZACHSA-N 2 0 195.310 1.434 10 0 ADAERP [NH3+][C@@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 142838208 344015422 /nfs/dbraw/zinc/01/54/22/344015422.db2.gz XVNCEYGZCTXFSZ-JGPRNRPPSA-N 2 0 180.295 1.351 10 0 ADAERP C[C@H]1CC[C@H]2[NH2+][C@@H](C)CC[C@H]2[NH2+]1 143991224 344023392 /nfs/dbraw/zinc/02/33/92/344023392.db2.gz LQPIKJMBUZADGZ-AXTSPUMRSA-N 2 0 168.284 1.267 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 3734778 171010403 /nfs/dbraw/zinc/01/04/03/171010403.db2.gz JNYCBCGVMYGERE-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP C[N@@H+]1CCCC[C@H]1Cc1c[nH]cn1 3793849 171010566 /nfs/dbraw/zinc/01/05/66/171010566.db2.gz RMWRSGFHUAZSIF-JTQLQIEISA-N 2 0 179.267 1.437 10 0 ADAERP C[NH+]1CC=C(C2=CC[N@H+](C)CC2)CC1 5966246 171018805 /nfs/dbraw/zinc/01/88/05/171018805.db2.gz TXJUYWHNBPWNFV-UHFFFAOYSA-N 2 0 192.306 1.510 10 0 ADAERP CC[NH+](CC)CC1CCC([NH3+])CC1 37482367 171032875 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172.316 1.574 10 0 ADAERP Cc1cc(N2CCC[C@@H]2C[NH3+])cc[nH+]1 107177784 171167771 /nfs/dbraw/zinc/16/77/71/171167771.db2.gz XHIKNODQDAEBOZ-LLVKDONJSA-N 2 0 191.278 1.318 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]CC2)C1 82385559 171168636 /nfs/dbraw/zinc/16/86/36/171168636.db2.gz ZHZSPVQZHBNYSD-VXGBXAGGSA-N 2 0 196.338 1.718 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)CC1 82385478 171168769 /nfs/dbraw/zinc/16/87/69/171168769.db2.gz NDWKUIZFVLPNBQ-VXGBXAGGSA-N 2 0 196.338 1.718 10 0 ADAERP CC[NH+](CC)[C@@H](C)[C@H]1CCC[NH2+]C1 20216989 171169436 /nfs/dbraw/zinc/16/94/36/171169436.db2.gz BQGICRDAKZSYEA-QWRGUYRKSA-N 2 0 184.327 1.716 10 0 ADAERP [NH3+]CC1(c2cnc3ccccn23)CC1 82391703 171169800 /nfs/dbraw/zinc/16/98/00/171169800.db2.gz ASMGFZNMPIIJFG-UHFFFAOYSA-N 2 0 187.246 1.325 10 0 ADAERP CC[NH+](CC)[C@@H](C)[C@@H]1CCC[NH2+]C1 20216987 171169804 /nfs/dbraw/zinc/16/98/04/171169804.db2.gz BQGICRDAKZSYEA-WDEREUQCSA-N 2 0 184.327 1.716 10 0 ADAERP 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BXWXZYCNWYHELA-UHFFFAOYSA-N 2 0 180.295 1.248 10 0 ADAERP C[C@H]1C[N@@H+](C2CC(C)(C)C2)C[C@H]1[NH3+] 306765937 345600446 /nfs/dbraw/zinc/60/04/46/345600446.db2.gz AHCPQYFPUMJZIO-WCBMZHEXSA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1[N@@H+]1CCC2(CC2)C1 306773437 345605696 /nfs/dbraw/zinc/60/56/96/345605696.db2.gz ITUILGSDWNOTGR-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP C[C@H]([NH3+])C[NH+]1C[C@@H]2CC=CC[C@H]2C1 306784895 345612622 /nfs/dbraw/zinc/61/26/22/345612622.db2.gz MUBHXLIAWXXFKS-DCAQKATOSA-N 2 0 180.295 1.232 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 306812233 345630923 /nfs/dbraw/zinc/63/09/23/345630923.db2.gz YSRSBEHDMYMWJC-OOCWMUITSA-N 2 0 194.322 1.597 10 0 ADAERP C[C@@H]1C[C@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 306812235 345630960 /nfs/dbraw/zinc/63/09/60/345630960.db2.gz YSRSBEHDMYMWJC-ROHXPCBUSA-N 2 0 194.322 1.597 10 0 ADAERP C[C@@H]1C[C@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 306812232 345630989 /nfs/dbraw/zinc/63/09/89/345630989.db2.gz YSRSBEHDMYMWJC-CSYMLDBXSA-N 2 0 194.322 1.597 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@H]1CC[C@H](C[NH3+])C1 306833013 345645787 /nfs/dbraw/zinc/64/57/87/345645787.db2.gz PEZKZLDLOCZLOD-UTLUCORTSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@H]1CC[C@@H](C[NH3+])C1 306833010 345645865 /nfs/dbraw/zinc/64/58/65/345645865.db2.gz PEZKZLDLOCZLOD-BBBLOLIVSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 306833012 345645872 /nfs/dbraw/zinc/64/58/72/345645872.db2.gz PEZKZLDLOCZLOD-OPRDCNLKSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 306835891 345647724 /nfs/dbraw/zinc/64/77/24/345647724.db2.gz TVJCELHNFLLAEO-YTWAJWBKSA-N 2 0 182.311 1.644 10 0 ADAERP [NH3+]C[C@@]1([NH3+])CCCC12CCCC2 306844606 345652979 /nfs/dbraw/zinc/65/29/79/345652979.db2.gz HNCZYVQUUXZRAM-JTQLQIEISA-N 2 0 168.284 1.387 10 0 ADAERP CC1CC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 306860561 345663944 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AWAPYICZNQHKJW-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH+]2CC=CC2)C[NH2+]1 306971233 345726415 /nfs/dbraw/zinc/72/64/15/345726415.db2.gz RVTZSYHZUPSPHW-GHMZBOCLSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@@H]1CC[C@H](C[NH+]2CC=CC2)C[NH2+]1 306971234 345726433 /nfs/dbraw/zinc/72/64/33/345726433.db2.gz RVTZSYHZUPSPHW-MNOVXSKESA-N 2 0 180.295 1.246 10 0 ADAERP CCC[NH2+][C@@H](C)CCC[NH3+] 307003029 345745406 /nfs/dbraw/zinc/74/54/06/345745406.db2.gz BTGVSILVDOTEFT-QMMMGPOBSA-N 2 0 144.262 1.113 10 0 ADAERP CCC[NH2+][C@H](C)CCC[NH3+] 307003028 345745407 /nfs/dbraw/zinc/74/54/07/345745407.db2.gz BTGVSILVDOTEFT-MRVPVSSYSA-N 2 0 144.262 1.113 10 0 ADAERP CC1(C)C[NH+]([C@@H]2CC[C@H]2C[NH3+])C1 307007057 345747977 /nfs/dbraw/zinc/74/79/77/345747977.db2.gz LMCGBTXSFNOBRL-DTWKUNHWSA-N 2 0 168.284 1.066 10 0 ADAERP CC1(C)C[NH+]([C@H]2CC[C@H]2C[NH3+])C1 307007059 345748090 /nfs/dbraw/zinc/74/80/90/345748090.db2.gz LMCGBTXSFNOBRL-IUCAKERBSA-N 2 0 168.284 1.066 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH+]2CC3(CC3)C2)C1 307034880 345768445 /nfs/dbraw/zinc/76/84/45/345768445.db2.gz NDKCLYQHRRAZES-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH+]2CC3(CC3)C2)C1 307034879 345768462 /nfs/dbraw/zinc/76/84/62/345768462.db2.gz NDKCLYQHRRAZES-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH+]2CC3(CC3)C2)C1 307034877 345768473 /nfs/dbraw/zinc/76/84/73/345768473.db2.gz NDKCLYQHRRAZES-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH+]2CC3(CC3)C2)C1 307034878 345768486 /nfs/dbraw/zinc/76/84/86/345768486.db2.gz NDKCLYQHRRAZES-UWVGGRQHSA-N 2 0 180.295 1.352 10 0 ADAERP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 307039476 345771952 /nfs/dbraw/zinc/77/19/52/345771952.db2.gz JTYKKAQNJIEGGU-GARJFASQSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1N(C)C1CCCC1 307050693 345779246 /nfs/dbraw/zinc/77/92/46/345779246.db2.gz RSSKJLWAFXQQOH-MWLCHTKSSA-N 2 0 182.311 1.611 10 0 ADAERP 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0 ADAERP CC[C@@H]1CCCC[N@@H+]1CCCC[NH3+] 4226749 342988793 /nfs/dbraw/zinc/98/87/93/342988793.db2.gz HIAORYLLZARRDV-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP C[C@H]1CCCC[N@@H+]1CCCCC[NH3+] 4226772 342988902 /nfs/dbraw/zinc/98/89/02/342988902.db2.gz POJYFAOROQXOSV-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP CCCC[N@H+](C)CCCC[NH3+] 4226744 342988922 /nfs/dbraw/zinc/98/89/22/342988922.db2.gz LBJDILXJJVRNRO-UHFFFAOYSA-N 2 0 158.289 1.457 10 0 ADAERP CC[C@H]1CCCC[N@@H+]1CCCC[NH3+] 4226750 342988994 /nfs/dbraw/zinc/98/89/94/342988994.db2.gz HIAORYLLZARRDV-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP CC1CC[NH+](CCCCC[NH3+])CC1 4226777 342989047 /nfs/dbraw/zinc/98/90/47/342989047.db2.gz IHUZJZRUQJENEI-UHFFFAOYSA-N 2 0 184.327 1.847 10 0 ADAERP CCCC[N@H+](C)CCCCC[NH3+] 4226768 342989088 /nfs/dbraw/zinc/98/90/88/342989088.db2.gz ANMLENGZNAWWBM-UHFFFAOYSA-N 2 0 172.316 1.847 10 0 ADAERP C[C@H]1CCC[N@H+](CCCCC[NH3+])C1 4226776 342989098 /nfs/dbraw/zinc/98/90/98/342989098.db2.gz DWCHDLFROZSUPF-NSHDSACASA-N 2 0 184.327 1.847 10 0 ADAERP C[N@H+](CCCC[NH3+])C1CCCCC1 4226757 342989121 /nfs/dbraw/zinc/98/91/21/342989121.db2.gz LRXOKPBAYQVONA-UHFFFAOYSA-N 2 0 184.327 1.990 10 0 ADAERP C[NH+](C)Cc1cccc(C[NH+](C)C)c1 6437186 343014821 /nfs/dbraw/zinc/01/48/21/343014821.db2.gz OUWLQMIJGBZEME-UHFFFAOYSA-N 2 0 192.306 1.810 10 0 ADAERP C[N@@H+]1CCc2ccccc2[C@@H]1CC[NH3+] 11802475 343024464 /nfs/dbraw/zinc/02/44/64/343024464.db2.gz JPDZZNNZQSJJNB-LBPRGKRZSA-N 2 0 190.290 1.564 10 0 ADAERP CC1CC[NH+](C[C@H](C)C[NH3+])CC1 11804626 343025117 /nfs/dbraw/zinc/02/51/17/343025117.db2.gz XREYQFOXTJBLAS-SNVBAGLBSA-N 2 0 170.300 1.313 10 0 ADAERP CC1CC[NH+](C[C@@H](C)C[NH3+])CC1 11804624 343024954 /nfs/dbraw/zinc/02/49/54/343024954.db2.gz XREYQFOXTJBLAS-JTQLQIEISA-N 2 0 170.300 1.313 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](C)C1 11822422 343025041 /nfs/dbraw/zinc/02/50/41/343025041.db2.gz LJPRTOVKQFULBS-NXEZZACHSA-N 2 0 170.300 1.313 10 0 ADAERP C[C@H]1C[N@H+](C)[C@H](C)C[C@@]1(C)[NH+](C)C 13511850 343035142 /nfs/dbraw/zinc/03/51/42/343035142.db2.gz BYGSDTVASMACLN-HBNTYKKESA-N 2 0 184.327 1.667 10 0 ADAERP C[N@@H+]1C(C)(C)C[C@@H](C[NH3+])C1(C)C 14000369 343038269 /nfs/dbraw/zinc/03/82/69/343038269.db2.gz HKSRAKIZEQECFH-QMMMGPOBSA-N 2 0 170.300 1.454 10 0 ADAERP C[N@@H+]1C(C)(C)C[C@H](C[NH3+])C1(C)C 14000372 343038277 /nfs/dbraw/zinc/03/82/77/343038277.db2.gz HKSRAKIZEQECFH-MRVPVSSYSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH+](C)Cc1cc(C[NH3+])ccc1F 19276647 343052552 /nfs/dbraw/zinc/05/25/52/343052552.db2.gz GHNHPYCMPFIOFX-UHFFFAOYSA-N 2 0 182.242 1.346 10 0 in-vitro ADAERP C[C@H](CCC[NH3+])[NH+]1CCCC1 19674103 343058217 /nfs/dbraw/zinc/05/82/17/343058217.db2.gz HZWWJDHTTUQINZ-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH3+])CC1 19802884 343060817 /nfs/dbraw/zinc/06/08/17/343060817.db2.gz YJORDFDZJVWWNU-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH3+])CC1 19802882 343060948 /nfs/dbraw/zinc/06/09/48/343060948.db2.gz YJORDFDZJVWWNU-JQWIXIFHSA-N 2 0 196.338 1.988 10 0 ADAERP CC(C)[C@@H]([NH3+])C[NH+]1CCCCC1 20073666 343066742 /nfs/dbraw/zinc/06/67/42/343066742.db2.gz AEBCFQAXYZSMIZ-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[C@@H]([NH3+])C[NH+]1CCCC1 20071396 343066785 /nfs/dbraw/zinc/06/67/85/343066785.db2.gz YFGHMMMMWUCNNO-VIFPVBQESA-N 2 0 156.273 1.066 10 0 in-vitro ADAERP C[NH+](C)CCNc1cc[nH+]cc1 21510006 343075772 /nfs/dbraw/zinc/07/57/72/343075772.db2.gz VCPZESIOTVDMFZ-UHFFFAOYSA-N 2 0 165.240 1.055 10 0 ADAERP C[NH+](C)Cc1ccccc1C(=[NH2+])NO 21953828 343076495 /nfs/dbraw/zinc/07/64/95/343076495.db2.gz WDPMSPUPTJUMOV-UHFFFAOYSA-N 2 0 193.250 1.052 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])[C@H]([NH3+])C(C)(C)C 22009578 343077719 /nfs/dbraw/zinc/07/77/19/343077719.db2.gz WROMFDZPVVQJRK-YUMQZZPRSA-N 2 0 172.316 1.733 10 0 ADAERP CC[C@@H]([NH3+])[C@H](C)[NH+]1CCCC1 23066560 343082901 /nfs/dbraw/zinc/08/29/01/343082901.db2.gz GZPWUECYVMFUPA-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@H]([NH3+])[C@H](C)[NH+]1CCCC1 23066562 343082949 /nfs/dbraw/zinc/08/29/49/343082949.db2.gz GZPWUECYVMFUPA-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@@H]([NH3+])[C@@H](C)[NH+]1CCCC1 23066557 343083002 /nfs/dbraw/zinc/08/30/02/343083002.db2.gz GZPWUECYVMFUPA-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH+](C)[C@H]1CCCCC[C@@H]1[NH3+] 23070440 343083597 /nfs/dbraw/zinc/08/35/97/343083597.db2.gz HXBCNYLGCAGTHL-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH+](C)[C@@H]1CCCCC[C@H]1[NH3+] 23070442 343083293 /nfs/dbraw/zinc/08/32/93/343083293.db2.gz HXBCNYLGCAGTHL-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH+](C)[C@H]1CCCCC[C@H]1[NH3+] 23070443 343083302 /nfs/dbraw/zinc/08/33/02/343083302.db2.gz HXBCNYLGCAGTHL-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH+](C)[C@H]1CCCCCC[C@@H]1[NH3+] 23069264 343083370 /nfs/dbraw/zinc/08/33/70/343083370.db2.gz MFJRDIFRRNSDQH-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+](C)C)C1 23069945 343083512 /nfs/dbraw/zinc/08/35/12/343083512.db2.gz DPBRRQIRBCVDMK-UTLUCORTSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH+](C)[C@@H]1CCCCCC[C@H]1[NH3+] 23069266 343083655 /nfs/dbraw/zinc/08/36/55/343083655.db2.gz MFJRDIFRRNSDQH-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP C[NH+](C)[C@H]1CCCCCC[C@H]1[NH3+] 23069268 343083663 /nfs/dbraw/zinc/08/36/63/343083663.db2.gz MFJRDIFRRNSDQH-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])CC2)C1 26516682 343089687 /nfs/dbraw/zinc/08/96/87/343089687.db2.gz XDTXXQOQNZFOEZ-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH3+])CC2)C1 26516686 343089767 /nfs/dbraw/zinc/08/97/67/343089767.db2.gz XDTXXQOQNZFOEZ-JQWIXIFHSA-N 2 0 196.338 1.988 10 0 ADAERP CC(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629147 343103251 /nfs/dbraw/zinc/10/32/51/343103251.db2.gz KUIDTALBUSZCDI-ZACCUICWSA-N 2 0 182.311 1.454 10 0 ADAERP CCC[NH2+]CCC[NH2+]CCC 33647161 343106259 /nfs/dbraw/zinc/10/62/59/343106259.db2.gz PCRVCIMIOTWSNM-UHFFFAOYSA-N 2 0 158.289 1.376 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 33717690 343106336 /nfs/dbraw/zinc/10/63/36/343106336.db2.gz JNYCBCGVMYGERE-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP [NH3+]C[C@H]1C[C@H]2C[C@@H]1[C@@H]1CC[C@@H](C[NH3+])[C@H]12 34109796 343110971 /nfs/dbraw/zinc/11/09/71/343110971.db2.gz LQGTVLDXRIBHQO-HGWFIAQESA-N 2 0 194.322 1.202 10 0 ADAERP [NH3+]CC[C@@H]1[NH2+]CCc2ccccc21 34364223 343117523 /nfs/dbraw/zinc/11/75/23/343117523.db2.gz UJBTWTPYSHLZRH-NSHDSACASA-N 2 0 176.263 1.222 10 0 ADAERP [NH3+]CC[C@H]1[NH2+]CCc2ccccc21 34364222 343117574 /nfs/dbraw/zinc/11/75/74/343117574.db2.gz UJBTWTPYSHLZRH-LLVKDONJSA-N 2 0 176.263 1.222 10 0 ADAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C1CC1 34370966 343117640 /nfs/dbraw/zinc/11/76/40/343117640.db2.gz GLXSANUPYLXYBF-SECBINFHSA-N 2 0 168.284 1.127 10 0 ADAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C1CC1 34370964 343117924 /nfs/dbraw/zinc/11/79/24/343117924.db2.gz GLXSANUPYLXYBF-VIFPVBQESA-N 2 0 168.284 1.127 10 0 ADAERP C[N@@H+]1CCc2cccc3c2[C@@H]1C[C@@H]3[NH3+] 35576816 343133011 /nfs/dbraw/zinc/13/30/11/343133011.db2.gz MOWNEHUHHXNLML-QWRGUYRKSA-N 2 0 188.274 1.619 10 0 ADAERP C[N@@H+]1CCc2cccc3c2[C@H]1C[C@@H]3[NH3+] 35576819 343133072 /nfs/dbraw/zinc/13/30/72/343133072.db2.gz MOWNEHUHHXNLML-WDEREUQCSA-N 2 0 188.274 1.619 10 0 ADAERP CCC1CCC([NH3+])(C[NH3+])CC1 35676979 343136679 /nfs/dbraw/zinc/13/66/79/343136679.db2.gz YCRSNISGAWKOMI-UHFFFAOYSA-N 2 0 156.273 1.243 10 0 ADAERP C[C@H](c1ccco1)[N@@H+]1CC[C@H](C[NH3+])C1 35739415 343137983 /nfs/dbraw/zinc/13/79/83/343137983.db2.gz KUYORPNWCFTDMJ-NXEZZACHSA-N 2 0 194.278 1.621 10 0 ADAERP C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@@H](C)C(N)=[NH2+] 36678414 343147517 /nfs/dbraw/zinc/14/75/17/343147517.db2.gz GMJIOTNQPHHBKG-BBBLOLIVSA-N 2 0 197.326 1.821 10 0 ADAERP C[C@H]1CCCC[N@H+]1C[C@@H](C)C(N)=[NH2+] 36677943 343147607 /nfs/dbraw/zinc/14/76/07/343147607.db2.gz CTAVAJXXSICZLU-BDAKNGLRSA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](C)C(N)=[NH2+] 36678415 343147656 /nfs/dbraw/zinc/14/76/56/343147656.db2.gz GMJIOTNQPHHBKG-UTLUCORTSA-N 2 0 197.326 1.821 10 0 ADAERP C[C@H](C[N@@H+]1CCCC[C@H]1C)C(N)=[NH2+] 36677942 343147666 /nfs/dbraw/zinc/14/76/66/343147666.db2.gz CTAVAJXXSICZLU-RKDXNWHRSA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H]1CCC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 36677988 343147706 /nfs/dbraw/zinc/14/77/06/343147706.db2.gz WEHRDRQSKIWISP-DTWKUNHWSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@H](C[NH3+])C[NH+]1CCCCCCC1 36677588 343147722 /nfs/dbraw/zinc/14/77/22/343147722.db2.gz JYMPETCLDRYLJV-LLVKDONJSA-N 2 0 184.327 1.847 10 0 ADAERP C[C@H](C[NH+]1CCCCC1)C(N)=[NH2+] 36678355 343147789 /nfs/dbraw/zinc/14/77/89/343147789.db2.gz GLSQEMUYLASULE-MRVPVSSYSA-N 2 0 169.272 1.044 10 0 ADAERP C[NH2+]CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 36827247 343150485 /nfs/dbraw/zinc/15/04/85/343150485.db2.gz KTVKPWFSFNLGGA-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([NH+](C)C)C1 36878865 343152689 /nfs/dbraw/zinc/15/26/89/343152689.db2.gz DPBRRQIRBCVDMK-OPRDCNLKSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@@H]1CC[C@H]([NH3+])[C@H]([NH+](C)C)C1 36878861 343152867 /nfs/dbraw/zinc/15/28/67/343152867.db2.gz DPBRRQIRBCVDMK-KXUCPTDWSA-N 2 0 170.300 1.454 10 0 ADAERP CC(C)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 36907469 343153638 /nfs/dbraw/zinc/15/36/38/343153638.db2.gz LDYUEKKZBOXMCU-MXWKQRLJSA-N 2 0 184.327 1.713 10 0 ADAERP CC(C)[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C 36907470 343153849 /nfs/dbraw/zinc/15/38/49/343153849.db2.gz LDYUEKKZBOXMCU-VWYCJHECSA-N 2 0 184.327 1.713 10 0 ADAERP CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 36907431 343153962 /nfs/dbraw/zinc/15/39/62/343153962.db2.gz FDBQMCCLMAPZFJ-GARJFASQSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 36915207 343154328 /nfs/dbraw/zinc/15/43/28/343154328.db2.gz WNGVMWLXARPKIK-VHSXEESVSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 36915206 343154338 /nfs/dbraw/zinc/15/43/38/343154338.db2.gz WNGVMWLXARPKIK-NXEZZACHSA-N 2 0 170.300 1.312 10 0 ADAERP C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37080984 343158256 /nfs/dbraw/zinc/15/82/56/343158256.db2.gz AVRXTXXXPHJLHM-UWVGGRQHSA-N 2 0 168.284 1.351 10 0 ADAERP C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37080983 343158365 /nfs/dbraw/zinc/15/83/65/343158365.db2.gz AVRXTXXXPHJLHM-VHSXEESVSA-N 2 0 168.284 1.351 10 0 ADAERP C[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] 37080920 343158396 /nfs/dbraw/zinc/15/83/96/343158396.db2.gz XGCJIPJHQAHZOX-QWRGUYRKSA-N 2 0 182.311 1.741 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)C2CC2)C1 37081079 343158498 /nfs/dbraw/zinc/15/84/98/343158498.db2.gz GGWSTQCEXJHCQY-YUSALJHKSA-N 2 0 196.338 1.987 10 0 ADAERP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)C2CC2)C1 37081077 343158714 /nfs/dbraw/zinc/15/87/14/343158714.db2.gz GGWSTQCEXJHCQY-ADEWGFFLSA-N 2 0 196.338 1.987 10 0 ADAERP C[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] 37080919 343158807 /nfs/dbraw/zinc/15/88/07/343158807.db2.gz XGCJIPJHQAHZOX-WDEREUQCSA-N 2 0 182.311 1.741 10 0 ADAERP C[N@H+](C1CCCC1)C1CC[NH2+]CC1 37092861 343159266 /nfs/dbraw/zinc/15/92/66/343159266.db2.gz RKXFXQWLWFDCNR-UHFFFAOYSA-N 2 0 182.311 1.613 10 0 ADAERP C[N@H+](C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 37159246 343161365 /nfs/dbraw/zinc/16/13/65/343161365.db2.gz IUZNJUSOBCVBJT-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP CC1CC[NH+]([C@@H]2CCC[C@H]2C[NH3+])CC1 37156836 343161395 /nfs/dbraw/zinc/16/13/95/343161395.db2.gz BSVZVPXKTOFWAW-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH+](C)[C@@H]1CCCC[C@H]1C[NH3+] 37158311 343161410 /nfs/dbraw/zinc/16/14/10/343161410.db2.gz UDLUNWQKJHUDIW-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] 37158299 343161446 /nfs/dbraw/zinc/16/14/46/343161446.db2.gz PQLQCDCWYSXZHS-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP C[NH+](C)[C@H]1CCCC[C@H]1C[NH3+] 37158313 343161452 /nfs/dbraw/zinc/16/14/52/343161452.db2.gz UDLUNWQKJHUDIW-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP CC1CC[NH+]([C@H]2CCC[C@@H]2C[NH3+])CC1 37156834 343161467 /nfs/dbraw/zinc/16/14/67/343161467.db2.gz BSVZVPXKTOFWAW-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37157452 343161472 /nfs/dbraw/zinc/16/14/72/343161472.db2.gz PBADDIXPGQOSCE-GHMZBOCLSA-N 2 0 184.327 1.844 10 0 ADAERP C[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] 37159238 343161483 /nfs/dbraw/zinc/16/14/83/343161483.db2.gz DRCXNAONTCWKSF-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37158307 343161508 /nfs/dbraw/zinc/16/15/08/343161508.db2.gz UDLUNWQKJHUDIW-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 37157458 343161547 /nfs/dbraw/zinc/16/15/47/343161547.db2.gz TYGKHQIMSGVOLN-ZJUUUORDSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH+](C)[C@H]1CCCC[C@@H]1C[NH3+] 37158309 343161576 /nfs/dbraw/zinc/16/15/76/343161576.db2.gz UDLUNWQKJHUDIW-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[NH+](C)[C@H]1CCCCC[C@H]1C[NH3+] 37158305 343161588 /nfs/dbraw/zinc/16/15/88/343161588.db2.gz PQLQCDCWYSXZHS-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP C[N@H+](C1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37159248 343161645 /nfs/dbraw/zinc/16/16/45/343161645.db2.gz IUZNJUSOBCVBJT-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP C[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] 37159240 343161669 /nfs/dbraw/zinc/16/16/69/343161669.db2.gz DRCXNAONTCWKSF-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP CC1CC[NH+]([C@H]2CCC[C@H]2C[NH3+])CC1 37156838 343161676 /nfs/dbraw/zinc/16/16/76/343161676.db2.gz BSVZVPXKTOFWAW-RYUDHWBXSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH+](C)[C@@H]1CCCCC[C@H]1C[NH3+] 37158303 343161706 /nfs/dbraw/zinc/16/17/06/343161706.db2.gz PQLQCDCWYSXZHS-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP CC1CC[NH+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 37156832 343161749 /nfs/dbraw/zinc/16/17/49/343161749.db2.gz BSVZVPXKTOFWAW-VXGBXAGGSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 37208656 343162611 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182.311 1.518 10 0 ADAERP C[C@]1(C[NH2+]C2CCC2)CC[NH2+]C1 62912377 343384506 /nfs/dbraw/zinc/38/45/06/343384506.db2.gz IWDOTOWCRPQXHP-JTQLQIEISA-N 2 0 168.284 1.128 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 62911339 343384512 /nfs/dbraw/zinc/38/45/12/343384512.db2.gz MDEKTYZCXJWHRC-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 62910733 343384574 /nfs/dbraw/zinc/38/45/74/343384574.db2.gz UVCBSEFEHZOPLQ-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@@]1(C[NH+]2CCCC2)CC[NH2+]C1 62910717 343384586 /nfs/dbraw/zinc/38/45/86/343384586.db2.gz JEMBUSDXMQXSDB-LLVKDONJSA-N 2 0 182.311 1.472 10 0 ADAERP C[C@@]1(C[NH2+]C2CCC2)CC[NH2+]C1 62912378 343384631 /nfs/dbraw/zinc/38/46/31/343384631.db2.gz IWDOTOWCRPQXHP-SNVBAGLBSA-N 2 0 168.284 1.128 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]C[C@@]1(C)CC[NH2+]C1 62912185 343384645 /nfs/dbraw/zinc/38/46/45/343384645.db2.gz HNLLFOFKVZEZAX-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 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ISZRZQQIXOOJJV-NXEZZACHSA-N 2 0 195.310 1.590 10 0 ADAERP C[NH+](C)[C@@H]1CCN(C(=[NH2+])C(C)(C)C)C1 62994417 343395113 /nfs/dbraw/zinc/39/51/13/343395113.db2.gz AELKJTSGLMYQOD-SECBINFHSA-N 2 0 197.326 1.646 10 0 ADAERP C[NH+](C)[C@H]1CCN(C(=[NH2+])C(C)(C)C)C1 62994416 343395133 /nfs/dbraw/zinc/39/51/33/343395133.db2.gz AELKJTSGLMYQOD-VIFPVBQESA-N 2 0 197.326 1.646 10 0 ADAERP C[C@@H]([NH3+])CC[N@@H+]1CCCC1(C)C 63066899 343399504 /nfs/dbraw/zinc/39/95/04/343399504.db2.gz ORHJJGPTQNGOOU-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP C[NH2+]CC[N@@H+]1CCCC1(C)C 63066851 343399576 /nfs/dbraw/zinc/39/95/76/343399576.db2.gz WZMNKYWTWHWIEO-UHFFFAOYSA-N 2 0 156.273 1.080 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCCC1(C)C 63066048 343399585 /nfs/dbraw/zinc/39/95/85/343399585.db2.gz UOOVSWIXKBNEPH-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]([NH3+])CC[N@@H+]1CCCC1(C)C 63066898 343399670 /nfs/dbraw/zinc/39/96/70/343399670.db2.gz ORHJJGPTQNGOOU-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP 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63171497 343404054 /nfs/dbraw/zinc/40/40/54/343404054.db2.gz CEYVLLPVGFYZKX-QMMMGPOBSA-N 2 0 179.267 1.539 10 0 ADAERP CCn1cc[nH+]c1N[C@H]1CCC[C@H]1[NH3+] 63177011 343404948 /nfs/dbraw/zinc/40/49/48/343404948.db2.gz LTGPEDZVDAJLDW-BDAKNGLRSA-N 2 0 194.282 1.195 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1Nc1cc[nH+]cc1 63177579 343405351 /nfs/dbraw/zinc/40/53/51/343405351.db2.gz UAFJPHQEGJVSRO-UWVGGRQHSA-N 2 0 177.251 1.373 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1Nc1cc[nH+]cc1 63177577 343405449 /nfs/dbraw/zinc/40/54/49/343405449.db2.gz UAFJPHQEGJVSRO-VHSXEESVSA-N 2 0 177.251 1.373 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1Nc1cc[nH+]cc1 63177583 343405502 /nfs/dbraw/zinc/40/55/02/343405502.db2.gz UAFJPHQEGJVSRO-ZJUUUORDSA-N 2 0 177.251 1.373 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1Nc1cc[nH+]cc1 63177581 343405688 /nfs/dbraw/zinc/40/56/88/343405688.db2.gz UAFJPHQEGJVSRO-NXEZZACHSA-N 2 0 177.251 1.373 10 0 ADAERP C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])C1CC1 68894709 343414043 /nfs/dbraw/zinc/41/40/43/343414043.db2.gz 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HSXBNDQILUNSAQ-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1[NH3+] 69718131 343435751 /nfs/dbraw/zinc/43/57/51/343435751.db2.gz VWRSVFNKOKXVKN-WPRPVWTQSA-N 2 0 168.284 1.208 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718212 343435812 /nfs/dbraw/zinc/43/58/12/343435812.db2.gz SRONFJIUDMTGPX-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP CCC[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718210 343435826 /nfs/dbraw/zinc/43/58/26/343435826.db2.gz SRONFJIUDMTGPX-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 69718150 343436011 /nfs/dbraw/zinc/43/60/11/343436011.db2.gz IUBIBXDJUIMNKO-IUCAKERBSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@H]1CCN(c2cc[nH+]cc2)C[C@@H]1[NH3+] 69720504 343436805 /nfs/dbraw/zinc/43/68/05/343436805.db2.gz DATIARSXYYJRDW-ONGXEEELSA-N 2 0 191.278 1.255 10 0 ADAERP C[C@@H]1CCN(c2cc[nH+]cc2)C[C@@H]1[NH3+] 69720502 343436850 /nfs/dbraw/zinc/43/68/50/343436850.db2.gz DATIARSXYYJRDW-KOLCDFICSA-N 2 0 191.278 1.255 10 0 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/nfs/dbraw/zinc/43/82/90/343438290.db2.gz WZKUOEUGFNVYSP-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1C1CCCC1 69727948 343438302 /nfs/dbraw/zinc/43/83/02/343438302.db2.gz RQMIYDDXDAMHHE-WDEREUQCSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1CCCC1 69727951 343438401 /nfs/dbraw/zinc/43/84/01/343438401.db2.gz RQMIYDDXDAMHHE-MNOVXSKESA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1CCC1 69727626 343438438 /nfs/dbraw/zinc/43/84/38/343438438.db2.gz WZKUOEUGFNVYSP-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C1CCCC1 69727945 343438504 /nfs/dbraw/zinc/43/85/04/343438504.db2.gz RQMIYDDXDAMHHE-GHMZBOCLSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C1CCC1 69727620 343438584 /nfs/dbraw/zinc/43/85/84/343438584.db2.gz WZKUOEUGFNVYSP-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCSC[C@H]1C 69760700 343439275 /nfs/dbraw/zinc/43/92/75/343439275.db2.gz MPAWDKJIDREKHA-DTWKUNHWSA-N 2 0 188.340 1.161 10 0 ADAERP C[C@@H]([NH3+])CC[N@@H+]1CCSC[C@H]1C 69762582 343439975 /nfs/dbraw/zinc/43/99/75/343439975.db2.gz IWJBNDBCUYHILS-RKDXNWHRSA-N 2 0 188.340 1.161 10 0 ADAERP C[C@H]1CSCC[N@H+]1CC[C@@H](C)[NH3+] 69762584 343440101 /nfs/dbraw/zinc/44/01/01/343440101.db2.gz IWJBNDBCUYHILS-BDAKNGLRSA-N 2 0 188.340 1.161 10 0 ADAERP C1CC([NH2+]C[C@H]2CC23CC[NH2+]CC3)C1 69792689 343441475 /nfs/dbraw/zinc/44/14/75/343441475.db2.gz JWUZCJBKCIOHAW-SNVBAGLBSA-N 2 0 194.322 1.518 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1CCCC(C)(C)C1 69792846 343441479 /nfs/dbraw/zinc/44/14/79/343441479.db2.gz QLNWUTKKSITWGP-SNVBAGLBSA-N 2 0 184.327 1.703 10 0 ADAERP C1CC([NH2+]C[C@@H]2CC23CC[NH2+]CC3)C1 69792687 343441492 /nfs/dbraw/zinc/44/14/92/343441492.db2.gz JWUZCJBKCIOHAW-JTQLQIEISA-N 2 0 194.322 1.518 10 0 ADAERP C1CC2(CC[NH2+]1)C[C@@H]2C[NH2+]C1CC1 69792583 343441573 /nfs/dbraw/zinc/44/15/73/343441573.db2.gz FVNVSDLCFRRZCE-SECBINFHSA-N 2 0 180.295 1.128 10 0 ADAERP CC(C)[N@H+](C)C[C@@H]1CC12CC[NH2+]CC2 69792464 343441669 /nfs/dbraw/zinc/44/16/69/343441669.db2.gz DDFPAMXVAWDQEY-NSHDSACASA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)(C)[NH2+]C[C@@H]1CC12CC[NH2+]CC2 69792563 343441678 /nfs/dbraw/zinc/44/16/78/343441678.db2.gz FYCFGMZBNQKKQN-JTQLQIEISA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCCC(C)(C)C1 69792858 343441710 /nfs/dbraw/zinc/44/17/10/343441710.db2.gz AKHRTIKWGGLOSP-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1CC12CC[NH2+]CC2 69792565 343441721 /nfs/dbraw/zinc/44/17/21/343441721.db2.gz FYCFGMZBNQKKQN-SNVBAGLBSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H](CC[NH3+])[N@@H+]1CCCC(C)(C)C1 69792860 343441795 /nfs/dbraw/zinc/44/17/95/343441795.db2.gz AKHRTIKWGGLOSP-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H](C[NH3+])C[N@@H+]1CCCC(C)(C)C1 69792844 343441832 /nfs/dbraw/zinc/44/18/32/343441832.db2.gz QLNWUTKKSITWGP-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CC12CC[NH2+]CC2 69792465 343441890 /nfs/dbraw/zinc/44/18/90/343441890.db2.gz DDFPAMXVAWDQEY-LLVKDONJSA-N 2 0 196.338 1.716 10 0 ADAERP C1CC2(CC[NH2+]1)C[C@H]2C[NH2+]C1CC1 69792581 343441897 /nfs/dbraw/zinc/44/18/97/343441897.db2.gz FVNVSDLCFRRZCE-VIFPVBQESA-N 2 0 180.295 1.128 10 0 ADAERP CC(C)[NH2+]C[C@H]1CC12CC[NH2+]CC2 69792569 343441907 /nfs/dbraw/zinc/44/19/07/343441907.db2.gz YMUXOZLHTIXDSC-SNVBAGLBSA-N 2 0 182.311 1.374 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CC12CC[NH2+]CC2 69792567 343441916 /nfs/dbraw/zinc/44/19/16/343441916.db2.gz YMUXOZLHTIXDSC-JTQLQIEISA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)CCC[N@@H+](C2CC[NH2+]CC2)C1 69793403 343441937 /nfs/dbraw/zinc/44/19/37/343441937.db2.gz JBOHBSPVBUOSBA-UHFFFAOYSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](C)C[C@@H]1CC12CC[NH2+]CC2 69792477 343441954 /nfs/dbraw/zinc/44/19/54/343441954.db2.gz ONKNMPFDMMISED-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP CC[N@H+](C)C[C@H]1CC12CC[NH2+]CC2 69792479 343442000 /nfs/dbraw/zinc/44/20/00/343442000.db2.gz ONKNMPFDMMISED-SNVBAGLBSA-N 2 0 182.311 1.328 10 0 ADAERP C[C@@H](C[N@@H+]1CCCC(C)(C)C1)C(N)=[NH2+] 69793450 343442121 /nfs/dbraw/zinc/44/21/21/343442121.db2.gz YGQSWXMAQQDBRH-VIFPVBQESA-N 2 0 197.326 1.680 10 0 ADAERP C[C@H](CC(N)=[NH2+])[N@@H+]1CCCC(C)(C)C1 69793455 343442170 /nfs/dbraw/zinc/44/21/70/343442170.db2.gz STLWJVRYAKCBDC-SECBINFHSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@H](C[N@@H+]1CCCC(C)(C)C1)C(N)=[NH2+] 69793452 343442182 /nfs/dbraw/zinc/44/21/82/343442182.db2.gz YGQSWXMAQQDBRH-SECBINFHSA-N 2 0 197.326 1.680 10 0 ADAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCCC(C)(C)C1 69793453 343442216 /nfs/dbraw/zinc/44/22/16/343442216.db2.gz STLWJVRYAKCBDC-VIFPVBQESA-N 2 0 197.326 1.823 10 0 ADAERP CC1(C)CCC[N@H+](CCC(N)=[NH2+])C1 69793434 343442259 /nfs/dbraw/zinc/44/22/59/343442259.db2.gz RIVDUPIOZPDJSZ-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccsc1 69796113 343442788 /nfs/dbraw/zinc/44/27/88/343442788.db2.gz OCDUDSKZBJEUFP-WCBMZHEXSA-N 2 0 196.319 1.700 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccnc1 69796035 343442809 /nfs/dbraw/zinc/44/28/09/343442809.db2.gz IUMCSWXAFXSTAI-MWLCHTKSSA-N 2 0 191.278 1.033 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccncc1 69796228 343442865 /nfs/dbraw/zinc/44/28/65/343442865.db2.gz WBVIUVSHYDUTHK-QWRGUYRKSA-N 2 0 191.278 1.033 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccsc1 69796111 343442885 /nfs/dbraw/zinc/44/28/85/343442885.db2.gz OCDUDSKZBJEUFP-PSASIEDQSA-N 2 0 196.319 1.700 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccccn1 69796256 343442985 /nfs/dbraw/zinc/44/29/85/343442985.db2.gz CRPSERPEOGWNRW-MWLCHTKSSA-N 2 0 191.278 1.033 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccco1 69796185 343443042 /nfs/dbraw/zinc/44/30/42/343443042.db2.gz DGWQVDLXYVSFCG-PSASIEDQSA-N 2 0 180.251 1.231 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccncc1 69796226 343443134 /nfs/dbraw/zinc/44/31/34/343443134.db2.gz WBVIUVSHYDUTHK-MNOVXSKESA-N 2 0 191.278 1.033 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccccn1 69796257 343443203 /nfs/dbraw/zinc/44/32/03/343443203.db2.gz CRPSERPEOGWNRW-GXSJLCMTSA-N 2 0 191.278 1.033 10 0 ADAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccco1 69796187 343443349 /nfs/dbraw/zinc/44/33/49/343443349.db2.gz DGWQVDLXYVSFCG-WCBMZHEXSA-N 2 0 180.251 1.231 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])Cc1c[nH+]ccc1N 69941462 343457342 /nfs/dbraw/zinc/45/73/42/343457342.db2.gz VIMNNMYTBBKYGJ-JTQLQIEISA-N 2 0 193.294 1.580 10 0 ADAERP CC(C)(C)[C@H]([NH3+])Cc1c[nH+]ccc1N 69941461 343457550 /nfs/dbraw/zinc/45/75/50/343457550.db2.gz VIMNNMYTBBKYGJ-SNVBAGLBSA-N 2 0 193.294 1.580 10 0 ADAERP CC[C@H]1CCCC[C@]1([NH3+])C[NH3+] 70568385 343493854 /nfs/dbraw/zinc/49/38/54/343493854.db2.gz MMOXEIPDFAWISZ-IUCAKERBSA-N 2 0 156.273 1.243 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCCCC[C@H]1C 69944402 343459123 /nfs/dbraw/zinc/45/91/23/343459123.db2.gz KDOLBSTVHOPXFK-MNOVXSKESA-N 2 0 184.327 1.988 10 0 ADAERP C[C@H]1CCCCC[N@H+]1C[C@@H](C)C(N)=[NH2+] 69945132 343459227 /nfs/dbraw/zinc/45/92/27/343459227.db2.gz VKCKWHRCTUGEHS-ZJUUUORDSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@H]1CCCCC[N@@H+]1CCC(N)=[NH2+] 69945129 343459251 /nfs/dbraw/zinc/45/92/51/343459251.db2.gz CLXMLFCMHAFPSO-VIFPVBQESA-N 2 0 183.299 1.577 10 0 ADAERP C[C@H](C[N@@H+]1CCCCC[C@H]1C)C(N)=[NH2+] 69945130 343459257 /nfs/dbraw/zinc/45/92/57/343459257.db2.gz VKCKWHRCTUGEHS-NXEZZACHSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@@H]1CCCCC[N@@H+]1CCC(N)=[NH2+] 69945128 343459321 /nfs/dbraw/zinc/45/93/21/343459321.db2.gz CLXMLFCMHAFPSO-SECBINFHSA-N 2 0 183.299 1.577 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCCCC[C@@H]1C 69944404 343459337 /nfs/dbraw/zinc/45/93/37/343459337.db2.gz KDOLBSTVHOPXFK-QWRGUYRKSA-N 2 0 184.327 1.988 10 0 ADAERP CC(C)[C@@H]([NH3+])CNc1cc[nH+]cc1 70010670 343465529 /nfs/dbraw/zinc/46/55/29/343465529.db2.gz MQWLQEOQJPWVRJ-JTQLQIEISA-N 2 0 179.267 1.477 10 0 ADAERP CC(C)[C@H]([NH3+])CNc1cc[nH+]cc1 70010666 343465613 /nfs/dbraw/zinc/46/56/13/343465613.db2.gz MQWLQEOQJPWVRJ-SNVBAGLBSA-N 2 0 179.267 1.477 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 70045666 343468828 /nfs/dbraw/zinc/46/88/28/343468828.db2.gz IEHDFTSDTPBDSZ-GRYCIOLGSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CCCC1(C)C 70046190 343468838 /nfs/dbraw/zinc/46/88/38/343468838.db2.gz AFGYMRJWOKUFEP-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+]1CCCC1(C)C 70046191 343468869 /nfs/dbraw/zinc/46/88/69/343468869.db2.gz AFGYMRJWOKUFEP-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045664 343468883 /nfs/dbraw/zinc/46/88/83/343468883.db2.gz IEHDFTSDTPBDSZ-SRVKXCTJSA-N 2 0 198.354 1.961 10 0 ADAERP CC1CC[NH+]([C@@H]2CC[NH2+]C[C@@H]2C)CC1 70045443 343468933 /nfs/dbraw/zinc/46/89/33/343468933.db2.gz VAAOTAASTQRJKI-NWDGAFQWSA-N 2 0 196.338 1.716 10 0 ADAERP CC1CC[NH+]([C@@H]2CC[NH2+]C[C@H]2C)CC1 70045446 343468977 /nfs/dbraw/zinc/46/89/77/343468977.db2.gz VAAOTAASTQRJKI-VXGBXAGGSA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[C@H](C)[N@H+](C)[C@H]1CC[NH2+]C[C@H]1C 70045663 343468980 /nfs/dbraw/zinc/46/89/80/343468980.db2.gz IEHDFTSDTPBDSZ-WOPDTQHZSA-N 2 0 198.354 1.961 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1[NH+]1CCCCCC1 70045505 343469010 /nfs/dbraw/zinc/46/90/10/343469010.db2.gz MHHKTNIEDUPMIY-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1[NH+]1CCCC1 70045454 343469020 /nfs/dbraw/zinc/46/90/20/343469020.db2.gz LYEIRPAJLQVCSL-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@H]1C[NH2+]CC[C@@H]1[NH+]1CCCCCC1 70045502 343469033 /nfs/dbraw/zinc/46/90/33/343469033.db2.gz MHHKTNIEDUPMIY-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CC1CC[NH+]([C@H]2CC[NH2+]C[C@@H]2C)CC1 70045444 343469048 /nfs/dbraw/zinc/46/90/48/343469048.db2.gz VAAOTAASTQRJKI-RYUDHWBXSA-N 2 0 196.338 1.716 10 0 ADAERP CC[N@H+](C(C)C)[C@H]1CC[NH2+]C[C@@H]1C 70045560 343469055 /nfs/dbraw/zinc/46/90/55/343469055.db2.gz KPZBXPGXDUWNLU-QWRGUYRKSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[N@H+](C)[C@H]1CC[NH2+]C[C@H]1C 70045517 343469065 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C[N@H+](C[C@H]1CCC[C@H]([NH3+])C1)C1CCC1 127560435 343814122 /nfs/dbraw/zinc/81/41/22/343814122.db2.gz YUFWSPMSTXQLSM-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP C[N@H+](C1CCC1)[C@@H]1CC[C@@H]1C[NH3+] 127882571 343821085 /nfs/dbraw/zinc/82/10/85/343821085.db2.gz YDXRMPVFEZIHHK-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[C@]2(CC[NH2+]C[C@@H]2C)C[N@@H+]1C 127966836 343821572 /nfs/dbraw/zinc/82/15/72/343821572.db2.gz SPEBSLCPMYRQSK-HBNTYKKESA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[C@@]2(CC[NH2+]C[C@@H]2C)C[N@@H+]1C 127966382 343821832 /nfs/dbraw/zinc/82/18/32/343821832.db2.gz SPEBSLCPMYRQSK-AXFHLTTASA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 128428319 343831236 /nfs/dbraw/zinc/83/12/36/343831236.db2.gz QXGMSTYCSMNGAF-QJPTWQEYSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 128427905 343831279 /nfs/dbraw/zinc/83/12/79/343831279.db2.gz QXGMSTYCSMNGAF-TUAOUCFPSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)C1 128518452 343833377 /nfs/dbraw/zinc/83/33/77/343833377.db2.gz CATWCXNAFPVHAK-VPOLOUISSA-N 2 0 182.311 1.644 10 0 ADAERP Cc1c[nH+]ccc1NC(C)(C)[C@@H](C)[NH3+] 128968007 343841534 /nfs/dbraw/zinc/84/15/34/343841534.db2.gz YFMCHMMHEDDBOP-SECBINFHSA-N 2 0 193.294 1.928 10 0 ADAERP C[C@@H]([NH3+])C(C)(C)Nc1cc[nH+]cc1 128995684 343841754 /nfs/dbraw/zinc/84/17/54/343841754.db2.gz ZGBYMXJBRLZPMT-MRVPVSSYSA-N 2 0 179.267 1.619 10 0 ADAERP C[C@H]([NH3+])C(C)(C)Nc1cc[nH+]cc1 128995426 343842003 /nfs/dbraw/zinc/84/20/03/343842003.db2.gz ZGBYMXJBRLZPMT-QMMMGPOBSA-N 2 0 179.267 1.619 10 0 ADAERP Cc1c[nH+]ccc1NC(C)(C)[C@H](C)[NH3+] 128968235 343842080 /nfs/dbraw/zinc/84/20/80/343842080.db2.gz YFMCHMMHEDDBOP-VIFPVBQESA-N 2 0 193.294 1.928 10 0 ADAERP C[C@H]1CC[N@@H+]1CC(C)(C)C[NH3+] 129237851 343846492 /nfs/dbraw/zinc/84/64/92/343846492.db2.gz NYXOJRMNVQCWIC-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]1CC[N@@H+]1CC(C)(C)C[NH3+] 129237636 343846592 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/nfs/dbraw/zinc/85/21/31/343852131.db2.gz OBBWPCZPIJFUJD-JTQLQIEISA-N 2 0 180.295 1.390 10 0 ADAERP CC(C[N@H+]1CCC[C@H]1C)=C1C[NH2+]C1 129519280 343852176 /nfs/dbraw/zinc/85/21/76/343852176.db2.gz OBBWPCZPIJFUJD-SNVBAGLBSA-N 2 0 180.295 1.390 10 0 ADAERP CC(C[N@H+]1CC[C@H](C)C1)=C1C[NH2+]C1 129544702 343852565 /nfs/dbraw/zinc/85/25/65/343852565.db2.gz IVAKJAGEAWPRMZ-VIFPVBQESA-N 2 0 180.295 1.248 10 0 ADAERP CC(C[NH2+]C1CCCCC1)=C1C[NH2+]C1 129524957 343852313 /nfs/dbraw/zinc/85/23/13/343852313.db2.gz BEHKBIXWOPSAQB-UHFFFAOYSA-N 2 0 194.322 1.828 10 0 ADAERP CC(C[NH2+]C(C)(C)C)=C1C[NH2+]C1 129527649 343852441 /nfs/dbraw/zinc/85/24/41/343852441.db2.gz BWBNDGOMLBNSPJ-UHFFFAOYSA-N 2 0 168.284 1.294 10 0 ADAERP CC(C[N@H+]1CC[C@@H](C)C1)=C1C[NH2+]C1 129544471 343852470 /nfs/dbraw/zinc/85/24/70/343852470.db2.gz IVAKJAGEAWPRMZ-SECBINFHSA-N 2 0 180.295 1.248 10 0 ADAERP CC(C[NH2+]C1CCCC1)=C1C[NH2+]C1 129533695 343852599 /nfs/dbraw/zinc/85/25/99/343852599.db2.gz UWDJYVSCINDRPT-UHFFFAOYSA-N 2 0 180.295 1.438 10 0 ADAERP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 129586519 343853227 /nfs/dbraw/zinc/85/32/27/343853227.db2.gz JFNVKRZFKCFOBO-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 129587109 343853702 /nfs/dbraw/zinc/85/37/02/343853702.db2.gz JFNVKRZFKCFOBO-WDEREUQCSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]1CC[N@H+](CCC2C[NH2+]C2)[C@H](C)C1 129655487 343854238 /nfs/dbraw/zinc/85/42/38/343854238.db2.gz QWDANOUCRLJFRZ-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP CC1(C)CCC[N@@H+]1CCC1C[NH2+]C1 129680552 343854813 /nfs/dbraw/zinc/85/48/13/343854813.db2.gz VSTFIBLVCFCPAS-UHFFFAOYSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1CCCCC[N@@H+]1CCC1C[NH2+]C1 129713929 343855387 /nfs/dbraw/zinc/85/53/87/343855387.db2.gz RFJFMSKACGUGAT-NSHDSACASA-N 2 0 196.338 1.860 10 0 ADAERP CC[NH+]1CCC(C)([NH2+]C)CC1 129742730 343855873 /nfs/dbraw/zinc/85/58/73/343855873.db2.gz BSHNTFNSPYZCTA-UHFFFAOYSA-N 2 0 156.273 1.080 10 0 ADAERP C[C@H](C[N@@H+]1CCC(C)(C)C1)C1C[NH2+]C1 129759683 343855897 /nfs/dbraw/zinc/85/58/97/343855897.db2.gz YUSWQMWBEYPCLJ-SNVBAGLBSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@@H](C[N@@H+]1CCC(C)(C)C1)C1C[NH2+]C1 129759483 343855954 /nfs/dbraw/zinc/85/59/54/343855954.db2.gz YUSWQMWBEYPCLJ-JTQLQIEISA-N 2 0 196.338 1.574 10 0 ADAERP CC1(C)CC[N@H+](CCC2C[NH2+]C2)C1 129759250 343856023 /nfs/dbraw/zinc/85/60/23/343856023.db2.gz GYNYDZAECQNCTL-UHFFFAOYSA-N 2 0 182.311 1.328 10 0 ADAERP C1CC[C@H]([NH2+]C2CCCC2)C[NH2+]C1 129804712 343856979 /nfs/dbraw/zinc/85/69/79/343856979.db2.gz PKIJBYXRDNDSJQ-NSHDSACASA-N 2 0 182.311 1.661 10 0 ADAERP C1CC[C@@H]([NH2+]C2CCCC2)C[NH2+]C1 129804507 343856475 /nfs/dbraw/zinc/85/64/75/343856475.db2.gz PKIJBYXRDNDSJQ-LLVKDONJSA-N 2 0 182.311 1.661 10 0 ADAERP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 129787140 343856589 /nfs/dbraw/zinc/85/65/89/343856589.db2.gz KSKBQJRQWJDWJG-MNOVXSKESA-N 2 0 182.311 1.789 10 0 ADAERP [NH3+][C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 129786679 343856818 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BOGGMOVQMFMOQG-MRVPVSSYSA-N 2 0 194.282 1.026 10 0 ADAERP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1N 130128634 343862645 /nfs/dbraw/zinc/86/26/45/343862645.db2.gz BOGGMOVQMFMOQG-QMMMGPOBSA-N 2 0 194.282 1.026 10 0 ADAERP C[C@H](C[NH+](C)C)Nc1cc(N)cc[nH+]1 130105061 343862770 /nfs/dbraw/zinc/86/27/70/343862770.db2.gz UFVABMZSIQPFER-MRVPVSSYSA-N 2 0 194.282 1.026 10 0 ADAERP [NH3+]CC[C@@H](F)[C@@H]1[NH2+]Cc2ccccc21 130436693 343868568 /nfs/dbraw/zinc/86/85/68/343868568.db2.gz WHDLRIRQJWRZHK-GHMZBOCLSA-N 2 0 194.253 1.518 10 0 ADAERP Nc1cc[nH+]cc1[C@@H](F)CC[NH3+] 130434620 343868586 /nfs/dbraw/zinc/86/85/86/343868586.db2.gz SKPHNKPMKKWZNR-ZETCQYMHSA-N 2 0 169.203 1.023 10 0 ADAERP Nc1cc[nH+]cc1[C@H](F)CC[NH3+] 130434406 343868602 /nfs/dbraw/zinc/86/86/02/343868602.db2.gz SKPHNKPMKKWZNR-SSDOTTSWSA-N 2 0 169.203 1.023 10 0 ADAERP [NH3+]CC[C@H](F)[C@H]1[NH2+]Cc2ccccc21 130436947 343868660 /nfs/dbraw/zinc/86/86/60/343868660.db2.gz WHDLRIRQJWRZHK-QWRGUYRKSA-N 2 0 194.253 1.518 10 0 ADAERP [NH3+]CC[C@@H](F)[C@H]1[NH2+]Cc2ccccc21 130436477 343868725 /nfs/dbraw/zinc/86/87/25/343868725.db2.gz WHDLRIRQJWRZHK-MNOVXSKESA-N 2 0 194.253 1.518 10 0 ADAERP C[C@@H](C[NH+](C)C)N1CCCCC1=[NH2+] 130593266 343870842 /nfs/dbraw/zinc/87/08/42/343870842.db2.gz AEOCMYQRDSJASG-VIFPVBQESA-N 2 0 183.299 1.400 10 0 ADAERP C[C@H](C[NH+](C)C)N1CCCCC1=[NH2+] 130593494 343870984 /nfs/dbraw/zinc/87/09/84/343870984.db2.gz AEOCMYQRDSJASG-SECBINFHSA-N 2 0 183.299 1.400 10 0 ADAERP CC(C)(C)n1cncc1C1C[NH2+]C1 131231694 343882294 /nfs/dbraw/zinc/88/22/94/343882294.db2.gz KIZQRMZGLCEHRP-UHFFFAOYSA-N 2 0 179.267 1.325 10 0 ADAERP C[C@H]1CC[N@H+](CCC(N)=[NH2+])C[C@@H]1C 131997441 343892219 /nfs/dbraw/zinc/89/22/19/343892219.db2.gz GGDAAYUYZSEYEU-IUCAKERBSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@@H]1CC[N@H+](CCC(N)=[NH2+])C[C@@H]1C 131997203 343892437 /nfs/dbraw/zinc/89/24/37/343892437.db2.gz GGDAAYUYZSEYEU-BDAKNGLRSA-N 2 0 183.299 1.290 10 0 ADAERP C[C@H]1CC[N@H+](CC2C[NH2+]C2)C[C@@H]1C 132033355 343892885 /nfs/dbraw/zinc/89/28/85/343892885.db2.gz OAMYYEGQFQNJPK-UWVGGRQHSA-N 2 0 182.311 1.184 10 0 ADAERP CC(C)c1c[nH+]c2n1C[C@@H]([NH3+])CC2 132407664 343898243 /nfs/dbraw/zinc/89/82/43/343898243.db2.gz LFVXXJYXEPTIPI-QMMMGPOBSA-N 2 0 179.267 1.280 10 0 ADAERP CC(C)c1c[nH+]c2n1C[C@H]([NH3+])CC2 132407459 343898484 /nfs/dbraw/zinc/89/84/84/343898484.db2.gz LFVXXJYXEPTIPI-MRVPVSSYSA-N 2 0 179.267 1.280 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 132536857 343900143 /nfs/dbraw/zinc/90/01/43/343900143.db2.gz KUVKXSMQEOGCEK-ONGXEEELSA-N 2 0 180.295 1.565 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 132537034 343900337 /nfs/dbraw/zinc/90/03/37/343900337.db2.gz KUVKXSMQEOGCEK-KOLCDFICSA-N 2 0 180.295 1.565 10 0 ADAERP C[N@@H+]1CCC[C@H](C[NH2+]C2CC=CC2)C1 132532624 343900361 /nfs/dbraw/zinc/90/03/61/343900361.db2.gz UPCIYFRBNPCPKQ-LLVKDONJSA-N 2 0 194.322 1.636 10 0 ADAERP [NH3+][C@H]1CC[C@H]([NH2+]C2CC=CC2)C1 132583461 343900721 /nfs/dbraw/zinc/90/07/21/343900721.db2.gz JFHCMLMXTAXTCB-WPRPVWTQSA-N 2 0 166.268 1.174 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH2+]C2CC=CC2)C1 132583055 343900760 /nfs/dbraw/zinc/90/07/60/343900760.db2.gz JFHCMLMXTAXTCB-SCZZXKLOSA-N 2 0 166.268 1.174 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH2+]C2CC=CC2)C1 132583662 343900828 /nfs/dbraw/zinc/90/08/28/343900828.db2.gz JFHCMLMXTAXTCB-WCBMZHEXSA-N 2 0 166.268 1.174 10 0 ADAERP C1=CCC([NH2+][C@H]2CCC[NH2+]CC2)C1 132570139 343900963 /nfs/dbraw/zinc/90/09/63/343900963.db2.gz FQQUXPHVIPQZEU-NSHDSACASA-N 2 0 180.295 1.437 10 0 ADAERP C1=CCC([NH2+][C@@H]2CCC[NH2+]CC2)C1 132570359 343901057 /nfs/dbraw/zinc/90/10/57/343901057.db2.gz FQQUXPHVIPQZEU-LLVKDONJSA-N 2 0 180.295 1.437 10 0 ADAERP C1=CCC([NH2+]CC2CC[NH2+]CC2)C1 132595861 343901304 /nfs/dbraw/zinc/90/13/04/343901304.db2.gz CLDSHLBEQQFSBU-UHFFFAOYSA-N 2 0 180.295 1.294 10 0 ADAERP C1=CCC([NH2+]C2CC[NH2+]CC2)C1 132600886 343901429 /nfs/dbraw/zinc/90/14/29/343901429.db2.gz OGDUMXDPJVRKFU-UHFFFAOYSA-N 2 0 166.268 1.047 10 0 ADAERP [NH3+]C1CCC([NH2+]C2CC=CC2)CC1 132605528 343901506 /nfs/dbraw/zinc/90/15/06/343901506.db2.gz KPUPAZFFFXHIOC-UHFFFAOYSA-N 2 0 180.295 1.565 10 0 ADAERP C[NH2+]Cc1csc2c1CC[N@H+](C)C2 132838650 343905270 /nfs/dbraw/zinc/90/52/70/343905270.db2.gz UXDMDMSJVUMWGM-UHFFFAOYSA-N 2 0 196.319 1.455 10 0 ADAERP CC(C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 132819453 343905275 /nfs/dbraw/zinc/90/52/75/343905275.db2.gz BYUNPTNFPBXCMF-GHMZBOCLSA-N 2 0 184.327 1.857 10 0 ADAERP CC(C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 132819654 343905302 /nfs/dbraw/zinc/90/53/02/343905302.db2.gz BYUNPTNFPBXCMF-WDEREUQCSA-N 2 0 184.327 1.857 10 0 ADAERP CC(C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 132819042 343905330 /nfs/dbraw/zinc/90/53/30/343905330.db2.gz BYUNPTNFPBXCMF-MNOVXSKESA-N 2 0 184.327 1.857 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+](C2CC=CC2)C[C@@H]1C 133112703 343911810 /nfs/dbraw/zinc/91/18/10/343911810.db2.gz ARZSEYQKXFDIOW-JQWIXIFHSA-N 2 0 194.322 1.635 10 0 ADAERP CC[C@@H]1C[N@H+](CC)CC[C@@H]1C[NH3+] 133095801 343911833 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JDISFOGEXYFNHH-VHSXEESVSA-N 2 0 170.300 1.313 10 0 ADAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CC=CC1 133113470 343912169 /nfs/dbraw/zinc/91/21/69/343912169.db2.gz OKCJFVCODVLRLS-UWVGGRQHSA-N 2 0 180.295 1.517 10 0 ADAERP C[C@@H]1C[N@@H+](C2CC=CC2)CC[C@@H]1[NH3+] 133106090 343912197 /nfs/dbraw/zinc/91/21/97/343912197.db2.gz UXNNDYPHGJWZHO-KOLCDFICSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@H]1C[N@@H+](C2CC=CC2)CC[C@@H]1[NH3+] 133106323 343912224 /nfs/dbraw/zinc/91/22/24/343912224.db2.gz UXNNDYPHGJWZHO-ONGXEEELSA-N 2 0 180.295 1.374 10 0 ADAERP CC1(C)CN(c2cc[nH+]cc2)CC[NH2+]1 133195035 343913294 /nfs/dbraw/zinc/91/32/94/343913294.db2.gz UZPHVWLYUGIZFR-UHFFFAOYSA-N 2 0 191.278 1.270 10 0 ADAERP C[NH2+]C1(C)CC[NH+](CC(C)C)CC1 133279217 343915058 /nfs/dbraw/zinc/91/50/58/343915058.db2.gz WOVCUYMTTXQNKN-UHFFFAOYSA-N 2 0 184.327 1.716 10 0 ADAERP C[C@H]([NH3+])[C@H](C)C[NH+]1CCCCC1 133660417 343923674 /nfs/dbraw/zinc/92/36/74/343923674.db2.gz ZMJFQHSCXQRDRA-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP 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BHFAUCTWMHSJLO-WDEREUQCSA-N 2 0 182.311 1.328 10 0 ADAERP C[C@H]1OCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 134390881 343942474 /nfs/dbraw/zinc/94/24/74/343942474.db2.gz ZSXRIGLUVIHJOO-SFXRXQKFSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@H]1OCC[C@H]1[NH2+]C1CCC([NH3+])CC1 134390841 343942476 /nfs/dbraw/zinc/94/24/76/343942476.db2.gz ZSXRIGLUVIHJOO-AGVGLQIMSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@@H]1OCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 134390900 343942491 /nfs/dbraw/zinc/94/24/91/343942491.db2.gz ZSXRIGLUVIHJOO-PMUOWJKOSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@@H]1OCC[C@H]1[NH2+]C1CCC([NH3+])CC1 134390861 343942542 /nfs/dbraw/zinc/94/25/42/343942542.db2.gz ZSXRIGLUVIHJOO-IDWGSYCQSA-N 2 0 198.310 1.023 10 0 ADAERP C1CC[C@@H]2[C@@H](C1)CC[N@H+]2[C@@H]1CC[NH2+]C1 134822144 343949518 /nfs/dbraw/zinc/94/95/18/343949518.db2.gz QDGRMZIXGUXBOC-QJPTWQEYSA-N 2 0 194.322 1.613 10 0 ADAERP C1CC[C@@H]2[C@H](C1)CC[N@H+]2[C@@H]1CC[NH2+]C1 134822187 343949598 /nfs/dbraw/zinc/94/95/98/343949598.db2.gz QDGRMZIXGUXBOC-IJLUTSLNSA-N 2 0 194.322 1.613 10 0 ADAERP [NH3+]CCC[N@@H+]1CC[C@H]2CCCC[C@@H]21 134811624 343949619 /nfs/dbraw/zinc/94/96/19/343949619.db2.gz OOVZKAVXVQYVOU-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+]CCC[N@@H+]1CC[C@@H]2CCCC[C@H]21 134811559 343949637 /nfs/dbraw/zinc/94/96/37/343949637.db2.gz OOVZKAVXVQYVOU-WDEREUQCSA-N 2 0 182.311 1.600 10 0 ADAERP C[NH2+][C@@H](C)C[N@@H+]1CC[C@H]2CCCC[C@@H]21 134816217 343949654 /nfs/dbraw/zinc/94/96/54/343949654.db2.gz FPRWPBDHOFXTDC-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+]CCC[N@@H+]1CC[C@H]2CCCC[C@H]21 134811601 343949673 /nfs/dbraw/zinc/94/96/73/343949673.db2.gz OOVZKAVXVQYVOU-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]21 134827430 343949705 /nfs/dbraw/zinc/94/97/05/343949705.db2.gz WVZIVJACKCZDFK-MNOVXSKESA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]21 134817639 343949848 /nfs/dbraw/zinc/94/98/48/343949848.db2.gz HYBADHXNTPHGDR-MXWKQRLJSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]([NH3+])CC[N@@H+]1CC[C@H]2CCCC[C@@H]21 134816861 343949891 /nfs/dbraw/zinc/94/98/91/343949891.db2.gz XJCSHBWHUVSWEC-TUAOUCFPSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]21 134817615 343949959 /nfs/dbraw/zinc/94/99/59/343949959.db2.gz HYBADHXNTPHGDR-AXFHLTTASA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@]1(C[NH+]2CCCCC2)CCC[C@@H]1[NH3+] 134947526 343951576 /nfs/dbraw/zinc/95/15/76/343951576.db2.gz YVVVIQKGZKLOPO-RYUDHWBXSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@]1(C[NH+]2CCCCC2)CCC[C@@H]1[NH3+] 134947508 343951589 /nfs/dbraw/zinc/95/15/89/343951589.db2.gz YVVVIQKGZKLOPO-NWDGAFQWSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@@]1(C[NH+]2CCCCC2)CCC[C@H]1[NH3+] 134947559 343951627 /nfs/dbraw/zinc/95/16/27/343951627.db2.gz YVVVIQKGZKLOPO-NEPJUHHUSA-N 2 0 196.338 1.990 10 0 ADAERP CC(C)[NH2+]C[C@@]1(C)CCC[C@H]1[NH3+] 134950915 343951659 /nfs/dbraw/zinc/95/16/59/343951659.db2.gz AQXKUCYSOAYPQV-NXEZZACHSA-N 2 0 170.300 1.502 10 0 ADAERP CC[NH2+]C[C@]1(C)CCC[C@H]1[NH3+] 134951456 343951695 /nfs/dbraw/zinc/95/16/95/343951695.db2.gz WWVAVBJMAXKZCR-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@]1(C[NH+]2CCCC2)CCC[C@H]1[NH3+] 134946473 343951704 /nfs/dbraw/zinc/95/17/04/343951704.db2.gz QACMXUZSBDCQFH-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP CC(C)[N@H+](C)C[C@]1(C)CCC[C@@H]1[NH3+] 134947396 343951730 /nfs/dbraw/zinc/95/17/30/343951730.db2.gz NIDDYOPRRSRUBO-QWRGUYRKSA-N 2 0 184.327 1.844 10 0 ADAERP CC[NH2+]C[C@@]1(C)CCC[C@H]1[NH3+] 134951478 343951756 /nfs/dbraw/zinc/95/17/56/343951756.db2.gz WWVAVBJMAXKZCR-RKDXNWHRSA-N 2 0 156.273 1.113 10 0 ADAERP C[N@H+](C[C@]1(C)CCC[C@H]1[NH3+])C1CC1 134948245 343951838 /nfs/dbraw/zinc/95/18/38/343951838.db2.gz UJOVMXCNJVFEFV-MNOVXSKESA-N 2 0 182.311 1.598 10 0 ADAERP C[N@H+](C[C@@]1(C)CCC[C@@H]1[NH3+])C1CC1 134948192 343951855 /nfs/dbraw/zinc/95/18/55/343951855.db2.gz UJOVMXCNJVFEFV-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[NH2+]C[C@]1(C)CCC[C@@H]1[NH3+] 134950857 343951912 /nfs/dbraw/zinc/95/19/12/343951912.db2.gz AQXKUCYSOAYPQV-UWVGGRQHSA-N 2 0 170.300 1.502 10 0 ADAERP C[NH+](C)C[C@@]1(C)CCC[C@H]1[NH3+] 134947755 343951920 /nfs/dbraw/zinc/95/19/20/343951920.db2.gz MVXOYNMHNQKXHM-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP CC[NH2+]C[C@@]1(C)CCC[C@@H]1[NH3+] 134951440 343951937 /nfs/dbraw/zinc/95/19/37/343951937.db2.gz WWVAVBJMAXKZCR-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@]1(C[NH2+]C2CC2)CCC[C@H]1[NH3+] 134951131 343951942 /nfs/dbraw/zinc/95/19/42/343951942.db2.gz VWQGGHKFOVVYAB-NXEZZACHSA-N 2 0 168.284 1.256 10 0 ADAERP C[N@H+](C[C@@]1(C)CCC[C@H]1[NH3+])C1CC1 134948228 343951963 /nfs/dbraw/zinc/95/19/63/343951963.db2.gz UJOVMXCNJVFEFV-GHMZBOCLSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@]1(C[NH+]2CCCC2)CCC[C@@H]1[NH3+] 134946416 343951973 /nfs/dbraw/zinc/95/19/73/343951973.db2.gz QACMXUZSBDCQFH-WDEREUQCSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@]1(C[NH+]2CCCC2)CCC[C@H]1[NH3+] 134946450 343951976 /nfs/dbraw/zinc/95/19/76/343951976.db2.gz QACMXUZSBDCQFH-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP C[NH+](C)C[C@@]1(C)CCC[C@@H]1[NH3+] 134947719 343952022 /nfs/dbraw/zinc/95/20/22/343952022.db2.gz MVXOYNMHNQKXHM-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC[NH2+]C[C@]1(C)CCC[C@@H]1[NH3+] 134951420 343952025 /nfs/dbraw/zinc/95/20/25/343952025.db2.gz WWVAVBJMAXKZCR-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP C[NH+](C)C[C@]1(C)CCC[C@H]1[NH3+] 134947776 343952047 /nfs/dbraw/zinc/95/20/47/343952047.db2.gz MVXOYNMHNQKXHM-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@]1(C[NH+]2CCCCC2)CCC[C@H]1[NH3+] 134947542 343952060 /nfs/dbraw/zinc/95/20/60/343952060.db2.gz YVVVIQKGZKLOPO-VXGBXAGGSA-N 2 0 196.338 1.990 10 0 ADAERP C[NH+](C)C[C@]1(C)CCC[C@@H]1[NH3+] 134947738 343952084 /nfs/dbraw/zinc/95/20/84/343952084.db2.gz MVXOYNMHNQKXHM-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@]1(C[NH2+]C2CC2)CCC[C@@H]1[NH3+] 134951114 343952091 /nfs/dbraw/zinc/95/20/91/343952091.db2.gz VWQGGHKFOVVYAB-UWVGGRQHSA-N 2 0 168.284 1.256 10 0 ADAERP CC(C)[N@H+](C)C[C@@]1(C)CCC[C@@H]1[NH3+] 134947417 343952096 /nfs/dbraw/zinc/95/20/96/343952096.db2.gz NIDDYOPRRSRUBO-WDEREUQCSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@]1(C[NH+]2CCCC2)CCC[C@@H]1[NH3+] 134946435 343952103 /nfs/dbraw/zinc/95/21/03/343952103.db2.gz QACMXUZSBDCQFH-QWRGUYRKSA-N 2 0 182.311 1.600 10 0 ADAERP C[N@H+](C[C@]1(C)CCC[C@@H]1[NH3+])C1CC1 134948208 343952105 /nfs/dbraw/zinc/95/21/05/343952105.db2.gz UJOVMXCNJVFEFV-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+]CC(C)(C)[C@@H]1CCC[NH2+]C1 135101511 343954753 /nfs/dbraw/zinc/95/47/53/343954753.db2.gz QLLQPXDIPRUAAZ-SECBINFHSA-N 2 0 170.300 1.232 10 0 ADAERP C[NH+](C)CC(C)(C)[C@H]1CCC[NH2+]C1 135098094 343954884 /nfs/dbraw/zinc/95/48/84/343954884.db2.gz KWCSOYDDPBVRST-JTQLQIEISA-N 2 0 184.327 1.574 10 0 ADAERP CC[C@@H]1CC[C@@H](C)N1[C@@H]1CC[NH2+]C1 136186113 343976595 /nfs/dbraw/zinc/97/65/95/343976595.db2.gz LQWRAQJNLRHHSQ-GMTAPVOTSA-N 2 0 182.311 1.611 10 0 ADAERP CC[C@@H]1CC[C@H](C)N1[C@@H]1CC[NH2+]C1 136186036 343976609 /nfs/dbraw/zinc/97/66/09/343976609.db2.gz LQWRAQJNLRHHSQ-HBNTYKKESA-N 2 0 182.311 1.611 10 0 ADAERP [NH3+]C1CCC(NOC2CCCC2)CC1 136953517 343982882 /nfs/dbraw/zinc/98/28/82/343982882.db2.gz XRTFYBZOQGOZOU-UHFFFAOYSA-N 2 0 198.310 1.720 10 0 ADAERP CC[N@@H+]1CCC[C@H]1CN1CCCC1=[NH2+] 138878785 343990885 /nfs/dbraw/zinc/99/08/85/343990885.db2.gz UKIBDCZSIWWHRN-JTQLQIEISA-N 2 0 195.310 1.544 10 0 ADAERP C1CC[C@@]2(CCC[NH2+]C2)C[NH2+]C1 139072005 343992523 /nfs/dbraw/zinc/99/25/23/343992523.db2.gz PNLISWHFEAXCNA-SNVBAGLBSA-N 2 0 168.284 1.130 10 0 ADAERP C[C@@H](C[N@@H+]1CCCC[C@@H]1C)C(N)=[NH2+] 139258496 343993504 /nfs/dbraw/zinc/99/35/04/343993504.db2.gz CTAVAJXXSICZLU-IUCAKERBSA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H]1CCC[N@@H+](C[C@H](C)C(N)=[NH2+])C1 139259409 343993757 /nfs/dbraw/zinc/99/37/57/343993757.db2.gz WEHRDRQSKIWISP-IUCAKERBSA-N 2 0 183.299 1.290 10 0 ADAERP [NH3+]CC1(C[NH3+])CCCCCC1 140865825 344002504 /nfs/dbraw/zinc/00/25/04/344002504.db2.gz WRRWTQOGUQOYOF-UHFFFAOYSA-N 2 0 156.273 1.244 10 0 ADAERP C[C@@H]1CC[C@@H](C)[NH+]1C1CC[NH2+]CC1 141164170 344003952 /nfs/dbraw/zinc/00/39/52/344003952.db2.gz HIHXBHDKCQOGTP-NXEZZACHSA-N 2 0 182.311 1.611 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1ccccc1F 141350976 344005248 /nfs/dbraw/zinc/00/52/48/344005248.db2.gz ZLDALSDOPIZCAH-VIFPVBQESA-N 2 0 168.215 1.174 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1ccccc1F 141350778 344005325 /nfs/dbraw/zinc/00/53/25/344005325.db2.gz ZLDALSDOPIZCAH-SECBINFHSA-N 2 0 168.215 1.174 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1ccccc1Cl 141298662 344005491 /nfs/dbraw/zinc/00/54/91/344005491.db2.gz MDIHXLNZLZIOEI-VIFPVBQESA-N 2 0 184.670 1.689 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1ccccc1Cl 141298453 344005516 /nfs/dbraw/zinc/00/55/16/344005516.db2.gz MDIHXLNZLZIOEI-SECBINFHSA-N 2 0 184.670 1.689 10 0 ADAERP CC(C)[NH+]1CCC(c2ncc[nH]2)CC1 141646008 344007322 /nfs/dbraw/zinc/00/73/22/344007322.db2.gz UNDWMZPVISQHSY-UHFFFAOYSA-N 2 0 193.294 1.998 10 0 ADAERP F[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 142408532 344012592 /nfs/dbraw/zinc/01/25/92/344012592.db2.gz JUYGUEGYFDCWAE-SNVBAGLBSA-N 2 0 186.274 1.030 10 0 ADAERP CC(C)[NH2+]CC(C)(C)n1cnc(N)c1 142665689 344013796 /nfs/dbraw/zinc/01/37/96/344013796.db2.gz SOXAPNSBWYIYHO-UHFFFAOYSA-N 2 0 196.298 1.198 10 0 ADAERP C[NH+](C)[C@H]1CCC[N@H+](C)CC1 142792125 344014621 /nfs/dbraw/zinc/01/46/21/344014621.db2.gz HKKTWRWISKQDIA-VIFPVBQESA-N 2 0 156.273 1.032 10 0 ADAERP C[NH+](C)[C@@H]1CCC[N@H+](C)CC1 142791914 344014778 /nfs/dbraw/zinc/01/47/78/344014778.db2.gz HKKTWRWISKQDIA-SECBINFHSA-N 2 0 156.273 1.032 10 0 ADAERP [NH3+][C@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 142838434 344015207 /nfs/dbraw/zinc/01/52/07/344015207.db2.gz XVNCEYGZCTXFSZ-RTCCRHLQSA-N 2 0 180.295 1.351 10 0 ADAERP c1cn(C[C@H]2CCCC[NH2+]C2)cn1 143401426 344018720 /nfs/dbraw/zinc/01/87/20/344018720.db2.gz DRIUAHKGBQOBHX-JTQLQIEISA-N 2 0 179.267 1.273 10 0 ADAERP c1cn(C[C@@H]2CCCC[NH2+]C2)cn1 143401209 344018735 /nfs/dbraw/zinc/01/87/35/344018735.db2.gz DRIUAHKGBQOBHX-SNVBAGLBSA-N 2 0 179.267 1.273 10 0 ADAERP CC(C)(C)[N@@H+]1CCC[C@H]1CC[NH3+] 143563013 344020314 /nfs/dbraw/zinc/02/03/14/344020314.db2.gz XGWFMRIWARDLIZ-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CC1(C)C[C@H](C[NH3+])C(C)(C)[NH2+]1 144705921 344028840 /nfs/dbraw/zinc/02/88/40/344028840.db2.gz YSRBXNPQMZXJNE-SSDOTTSWSA-N 2 0 156.273 1.112 10 0 ADAERP CC1(C)C[C@@H](C[NH3+])C(C)(C)[NH2+]1 144705703 344028996 /nfs/dbraw/zinc/02/89/96/344028996.db2.gz YSRBXNPQMZXJNE-ZETCQYMHSA-N 2 0 156.273 1.112 10 0 ADAERP C1CC[NH2+][C@H](C2CC[NH2+]CC2)CC1 144850947 344029882 /nfs/dbraw/zinc/02/98/82/344029882.db2.gz UMJWMKXLAWVTOV-NSHDSACASA-N 2 0 182.311 1.518 10 0 ADAERP C1CC[NH2+][C@@H](C2CC[NH2+]CC2)CC1 144851148 344029874 /nfs/dbraw/zinc/02/98/74/344029874.db2.gz UMJWMKXLAWVTOV-LLVKDONJSA-N 2 0 182.311 1.518 10 0 ADAERP CCC[C@@H](F)CN1CCC([NH3+])CC1 145915741 344037118 /nfs/dbraw/zinc/03/71/18/344037118.db2.gz PHLPLMANEZXGPM-SECBINFHSA-N 2 0 188.290 1.548 10 0 ADAERP CCC[C@H](F)CN1CCC([NH3+])CC1 145915919 344037226 /nfs/dbraw/zinc/03/72/26/344037226.db2.gz PHLPLMANEZXGPM-VIFPVBQESA-N 2 0 188.290 1.548 10 0 ADAERP [NH3+][C@H]1CCN(CC2=CCCCC2)C1 145944777 344037236 /nfs/dbraw/zinc/03/72/36/344037236.db2.gz FERVNEBGVHTRLC-NSHDSACASA-N 2 0 180.295 1.520 10 0 ADAERP CC(C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 146048166 344038285 /nfs/dbraw/zinc/03/82/85/344038285.db2.gz IHMZHWLOOVNNHV-LLVKDONJSA-N 2 0 182.311 1.422 10 0 ADAERP CC(C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 146048365 344038410 /nfs/dbraw/zinc/03/84/10/344038410.db2.gz IHMZHWLOOVNNHV-NSHDSACASA-N 2 0 182.311 1.422 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH3+])c2ccccc21 147854909 344045426 /nfs/dbraw/zinc/04/54/26/344045426.db2.gz LZBPBIXKLGXMFC-AOOOYVTPSA-N 2 0 162.236 1.480 10 0 ADAERP CC(C)(C)[N@@H+]1CCCC[C@@H](N)C1 148315088 344052573 /nfs/dbraw/zinc/05/25/73/344052573.db2.gz ARLOUHLATZIFMO-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)(C)[N@@H+]1CCCC[C@H](N)C1 148315305 344052631 /nfs/dbraw/zinc/05/26/31/344052631.db2.gz ARLOUHLATZIFMO-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP C[C@@H]([NH3+])[C@H](C)C[NH+]1CCCC1 148335968 344053097 /nfs/dbraw/zinc/05/30/97/344053097.db2.gz YHYYNVLLGISWOD-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)C[NH+]1CCCC1 148335743 344053020 /nfs/dbraw/zinc/05/30/20/344053020.db2.gz YHYYNVLLGISWOD-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H]([NH3+])[C@H](C)C[NH+]1CCCC1 148336156 344053271 /nfs/dbraw/zinc/05/32/71/344053271.db2.gz YHYYNVLLGISWOD-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H](C[NH+]1CCCC1)[C@@H](C)[NH3+] 148335556 344053369 /nfs/dbraw/zinc/05/33/69/344053369.db2.gz YHYYNVLLGISWOD-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC[N@@H+]1CC[C@]2(CCC[NH2+]C2)C1 149030876 344061017 /nfs/dbraw/zinc/06/10/17/344061017.db2.gz NZHDQASRNPSMKZ-JTQLQIEISA-N 2 0 168.284 1.082 10 0 ADAERP CC[N@@H+]1CC[C@@]2(CCC[NH2+]C2)C1 149031071 344061295 /nfs/dbraw/zinc/06/12/95/344061295.db2.gz NZHDQASRNPSMKZ-SNVBAGLBSA-N 2 0 168.284 1.082 10 0 ADAERP CC(C)[NH2+][C@@H]1C[C@@H](C)N(C)C1 149267952 344063369 /nfs/dbraw/zinc/06/33/69/344063369.db2.gz SJRHXQMMXHJFEF-RKDXNWHRSA-N 2 0 156.273 1.077 10 0 ADAERP CC(C)[NH2+][C@@H]1C[C@H](C)N(C)C1 149268170 344063442 /nfs/dbraw/zinc/06/34/42/344063442.db2.gz SJRHXQMMXHJFEF-DTWKUNHWSA-N 2 0 156.273 1.077 10 0 ADAERP CC(C)[NH2+][C@H]1C[C@@H](C)N(C)C1 149267503 344063606 /nfs/dbraw/zinc/06/36/06/344063606.db2.gz SJRHXQMMXHJFEF-BDAKNGLRSA-N 2 0 156.273 1.077 10 0 ADAERP CC(C)[NH2+][C@H]1C[C@H](C)N(C)C1 149267736 344063770 /nfs/dbraw/zinc/06/37/70/344063770.db2.gz SJRHXQMMXHJFEF-IUCAKERBSA-N 2 0 156.273 1.077 10 0 ADAERP CC(C)(C)[N@@H+]1CCC[C@H]([NH3+])CC1 149357744 344064713 /nfs/dbraw/zinc/06/47/13/344064713.db2.gz SRCGQYISXWAUTA-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)(C)[N@@H+]1CCC[C@@H]([NH3+])CC1 149357532 344064814 /nfs/dbraw/zinc/06/48/14/344064814.db2.gz SRCGQYISXWAUTA-SECBINFHSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)N1CCC[C@H]2C[NH2+]C[C@H]21 149379323 344064888 /nfs/dbraw/zinc/06/48/88/344064888.db2.gz RYHSIKHNJIDWKU-VHSXEESVSA-N 2 0 168.284 1.079 10 0 ADAERP [NH3+]C1(C[NH2+]C2CCCC2)CCOCC1 149781076 344071479 /nfs/dbraw/zinc/07/14/79/344071479.db2.gz VCDRHZQLMDQCHR-UHFFFAOYSA-N 2 0 198.310 1.027 10 0 ADAERP C[C@@H]1CCC[N@@H+]([C@H](C)CC[NH3+])C1 149921420 344073249 /nfs/dbraw/zinc/07/32/49/344073249.db2.gz TZKXBNIAYJIQLO-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@@H]1CC[C@@H](N2CC[C@H]([NH2+]C)C2)C1 150067145 344076023 /nfs/dbraw/zinc/07/60/23/344076023.db2.gz PTSRZXYVIAUXQT-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H]1CC[C@H](N2CC[C@H]([NH2+]C)C2)C1 150066686 344076257 /nfs/dbraw/zinc/07/62/57/344076257.db2.gz PTSRZXYVIAUXQT-WOPDTQHZSA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1cccc(F)c1 150080039 344076678 /nfs/dbraw/zinc/07/66/78/344076678.db2.gz PJLZDGJJWYQARS-VIFPVBQESA-N 2 0 168.215 1.174 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 156083901 344080385 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/nfs/dbraw/zinc/33/09/11/344330911.db2.gz UIIRUAJZAUDHCQ-JTQLQIEISA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C1(C)CC[NH+](C(C)C)CC1 168422150 344330928 /nfs/dbraw/zinc/33/09/28/344330928.db2.gz LASBARJCWQNFIA-UHFFFAOYSA-N 2 0 170.300 1.469 10 0 ADAERP CCC[NH+]1CCC(C)([NH2+]C)CC1 168421460 344330931 /nfs/dbraw/zinc/33/09/31/344330931.db2.gz QKIYJWCDVKDTDE-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP C[NH2+]C1(C)CC[NH+]([C@H](C)C2CC2)CC1 168438892 344330948 /nfs/dbraw/zinc/33/09/48/344330948.db2.gz UIIRUAJZAUDHCQ-SNVBAGLBSA-N 2 0 196.338 1.859 10 0 ADAERP c1cc2cc(NC3C[NH2+]C3)ccc2c[nH+]1 168457623 344331293 /nfs/dbraw/zinc/33/12/93/344331293.db2.gz IWHCBWVHESFUSD-UHFFFAOYSA-N 2 0 199.257 1.619 10 0 ADAERP C[NH2+]C1(C)CCN(CCF)CC1 168480509 344331903 /nfs/dbraw/zinc/33/19/03/344331903.db2.gz UMRAWCGXGAWIGC-UHFFFAOYSA-N 2 0 174.263 1.030 10 0 ADAERP CC1=CCN(C(C)(C)C[NH3+])CC1 168501377 344332048 /nfs/dbraw/zinc/33/20/48/344332048.db2.gz UTEMTWKDROTULZ-UHFFFAOYSA-N 2 0 168.284 1.376 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CC1(C[NH3+])CCC1 168526672 344332309 /nfs/dbraw/zinc/33/23/09/344332309.db2.gz ABDYSGCXXCLGFA-SNVBAGLBSA-N 2 0 182.311 1.600 10 0 ADAERP CC1(C)CCC[N@@H+]1CC1(C[NH3+])CCC1 168546523 344332556 /nfs/dbraw/zinc/33/25/56/344332556.db2.gz CWRCKIUPFHOXJX-UHFFFAOYSA-N 2 0 196.338 1.990 10 0 ADAERP C[C@H]1CCC[N@@H+]1CC1(C[NH3+])CCC1 168526766 344332576 /nfs/dbraw/zinc/33/25/76/344332576.db2.gz ABDYSGCXXCLGFA-JTQLQIEISA-N 2 0 182.311 1.600 10 0 ADAERP CC1(C)CC[N@H+](CC2(C[NH3+])CCC2)C1 168556624 344333058 /nfs/dbraw/zinc/33/30/58/344333058.db2.gz MYZOHLCYQMLQQF-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@@](C)(C[NH3+])C1CC1 168597968 344333470 /nfs/dbraw/zinc/33/34/70/344333470.db2.gz XRHDRADADJRXCC-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]1CC[N@@H+]1[C@@](C)(C[NH3+])C1CC1 168598062 344333565 /nfs/dbraw/zinc/33/35/65/344333565.db2.gz XRHDRADADJRXCC-WPRPVWTQSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CCC[C@@H](C)[NH+]1CC1(C[NH3+])CC1 168751948 344335993 /nfs/dbraw/zinc/33/59/93/344335993.db2.gz DZVFIYXZHGEZNX-GHMZBOCLSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1CCC[C@H](C)[NH+]1CC1(C[NH3+])CC1 168751845 344336022 /nfs/dbraw/zinc/33/60/22/344336022.db2.gz DZVFIYXZHGEZNX-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP [NH3+]CC1(C[NH+]2CCCCCCC2)CC1 168752609 344336194 /nfs/dbraw/zinc/33/61/94/344336194.db2.gz QXKAHAYAKMSEOP-UHFFFAOYSA-N 2 0 196.338 1.991 10 0 ADAERP CC(C)[C@](C)(C[NH3+])Nc1[nH+]ccn1C 168755356 344336401 /nfs/dbraw/zinc/33/64/01/344336401.db2.gz BXMYVFSFSUBJTM-JTQLQIEISA-N 2 0 196.298 1.205 10 0 ADAERP CC(C)[C@](C)(C[NH3+])[NH+]1CC=CC1 168770155 344336408 /nfs/dbraw/zinc/33/64/08/344336408.db2.gz MSCILUZTKJNJJO-JTQLQIEISA-N 2 0 168.284 1.232 10 0 ADAERP C[C@@H]1CCC[N@@H+]1CC1(C[NH3+])CC1 168759245 344336467 /nfs/dbraw/zinc/33/64/67/344336467.db2.gz SPLJLSOQDSWHCT-SECBINFHSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@H]1CCC[N@@H+]1CC1(C[NH3+])CC1 168759294 344336528 /nfs/dbraw/zinc/33/65/28/344336528.db2.gz SPLJLSOQDSWHCT-VIFPVBQESA-N 2 0 168.284 1.210 10 0 ADAERP CC(C)[C@@](C)(C[NH3+])[NH+]1CC=CC1 168770061 344336547 /nfs/dbraw/zinc/33/65/47/344336547.db2.gz MSCILUZTKJNJJO-SNVBAGLBSA-N 2 0 168.284 1.232 10 0 ADAERP CC(C)[C@@](C)(C[NH3+])Nc1[nH+]ccn1C 168755265 344336665 /nfs/dbraw/zinc/33/66/65/344336665.db2.gz BXMYVFSFSUBJTM-SNVBAGLBSA-N 2 0 196.298 1.205 10 0 ADAERP CC1(C)CCC[N@@H+]1CC1(C[NH3+])CC1 168784223 344336947 /nfs/dbraw/zinc/33/69/47/344336947.db2.gz KUQFANWZEYYRDW-UHFFFAOYSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@@H]1CC[N@H+](CC2(C[NH3+])CC2)[C@H](C)C1 168779868 344337095 /nfs/dbraw/zinc/33/70/95/344337095.db2.gz CPIDZLZUDXOLEP-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)[C@@H]1C 168779208 344337116 /nfs/dbraw/zinc/33/71/16/344337116.db2.gz KOVNLCSKJZADKO-GHMZBOCLSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)[C@@H]1C 168779294 344337188 /nfs/dbraw/zinc/33/71/88/344337188.db2.gz KOVNLCSKJZADKO-WDEREUQCSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1CC[N@H+](CC2(C[NH3+])CC2)[C@H](C)C1 168779970 344337251 /nfs/dbraw/zinc/33/72/51/344337251.db2.gz CPIDZLZUDXOLEP-WDEREUQCSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1CC[C@@H](C)C[N@H+]1CC1(C[NH3+])CC1 168792659 344337492 /nfs/dbraw/zinc/33/74/92/344337492.db2.gz AFLWCSZTYPMRKF-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)CCC[N@H+](CC2(C[NH3+])CC2)C1 168788410 344337543 /nfs/dbraw/zinc/33/75/43/344337543.db2.gz ZCMJSSHYHBANNB-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP C[C@H]1CC[C@@H](C)[N@H+](CC2(C[NH3+])CC2)C1 168792863 344337741 /nfs/dbraw/zinc/33/77/41/344337741.db2.gz AFLWCSZTYPMRKF-WDEREUQCSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1CC[C@H](C)[N@H+](CC2(C[NH3+])CC2)C1 168792721 344337860 /nfs/dbraw/zinc/33/78/60/344337860.db2.gz AFLWCSZTYPMRKF-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH+](C)Cc1ccsc1C[NH3+] 168818347 344338045 /nfs/dbraw/zinc/33/80/45/344338045.db2.gz QQSZCHLPLYLBDF-UHFFFAOYSA-N 2 0 170.281 1.268 10 0 ADAERP Cc1cccc(NCC(C)(C)C[NH3+])[nH+]1 168949519 344341048 /nfs/dbraw/zinc/34/10/48/344341048.db2.gz APCLKUKYNPYMNF-UHFFFAOYSA-N 2 0 193.294 1.787 10 0 ADAERP Cc1cc[nH+]c(NCC(C)(C)C[NH3+])c1 168947255 344341134 /nfs/dbraw/zinc/34/11/34/344341134.db2.gz GPXUEQYJZRPPEA-UHFFFAOYSA-N 2 0 193.294 1.787 10 0 ADAERP CC(C)=CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 168982507 344341362 /nfs/dbraw/zinc/34/13/62/344341362.db2.gz PUJBRHNKGFNUCZ-WDEREUQCSA-N 2 0 182.311 1.764 10 0 ADAERP CC(C)=CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 168982425 344341373 /nfs/dbraw/zinc/34/13/73/344341373.db2.gz PUJBRHNKGFNUCZ-GHMZBOCLSA-N 2 0 182.311 1.764 10 0 ADAERP CC(C)=CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 168982594 344341510 /nfs/dbraw/zinc/34/15/10/344341510.db2.gz PUJBRHNKGFNUCZ-MNOVXSKESA-N 2 0 182.311 1.764 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 168972440 344341555 /nfs/dbraw/zinc/34/15/55/344341555.db2.gz CCRXKIRSQVVNEL-FCVPOFOPSA-N 2 0 168.284 1.374 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 168972347 344341703 /nfs/dbraw/zinc/34/17/03/344341703.db2.gz CCRXKIRSQVVNEL-OHINUGQQSA-N 2 0 168.284 1.374 10 0 ADAERP CC(C)=CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 168982694 344341725 /nfs/dbraw/zinc/34/17/25/344341725.db2.gz PUJBRHNKGFNUCZ-QWRGUYRKSA-N 2 0 182.311 1.764 10 0 ADAERP [NH3+]CC1(CNc2cc[nH+]cc2)CC1 169007334 344342099 /nfs/dbraw/zinc/34/20/99/344342099.db2.gz SSFCBOOQPJCLLG-UHFFFAOYSA-N 2 0 177.251 1.232 10 0 ADAERP Cc1c[nH+]ccc1NCC1(C[NH3+])CC1 169005406 344342146 /nfs/dbraw/zinc/34/21/46/344342146.db2.gz IRPFMEMRGUABND-UHFFFAOYSA-N 2 0 191.278 1.541 10 0 ADAERP Cc1cc[nH+]c(NCC2(C[NH3+])CC2)c1 169007565 344342399 /nfs/dbraw/zinc/34/23/99/344342399.db2.gz XKCOUMGJJZTYGX-UHFFFAOYSA-N 2 0 191.278 1.541 10 0 ADAERP Cc1cccc(NCC2(C[NH3+])CC2)[nH+]1 169010590 344342713 /nfs/dbraw/zinc/34/27/13/344342713.db2.gz BMLOGSGKBDRUEP-UHFFFAOYSA-N 2 0 191.278 1.541 10 0 ADAERP C/C=C/CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 169080491 344344035 /nfs/dbraw/zinc/34/40/35/344344035.db2.gz HBTSRLYMUWTIFO-NTYHVHHESA-N 2 0 180.295 1.389 10 0 ADAERP c1cc2c(cc1C[NH2+]C1CC1)C[NH2+]C2 169149828 344346704 /nfs/dbraw/zinc/34/67/04/344346704.db2.gz WPQUUGGXAHIBTA-UHFFFAOYSA-N 2 0 188.274 1.542 10 0 ADAERP CC[N@H+](C)Cc1ccc2c(c1)C[NH2+]C2 169148713 344346928 /nfs/dbraw/zinc/34/69/28/344346928.db2.gz DJNMPNVYACDKDW-UHFFFAOYSA-N 2 0 190.290 1.742 10 0 ADAERP C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 169228937 344348820 /nfs/dbraw/zinc/34/88/20/344348820.db2.gz AXUAYPRNWPXCIP-NXEZZACHSA-N 2 0 162.236 1.351 10 0 ADAERP C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 169229008 344348896 /nfs/dbraw/zinc/34/88/96/344348896.db2.gz AXUAYPRNWPXCIP-ZJUUUORDSA-N 2 0 162.236 1.351 10 0 ADAERP C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 169228797 344348998 /nfs/dbraw/zinc/34/89/98/344348998.db2.gz AXUAYPRNWPXCIP-VHSXEESVSA-N 2 0 162.236 1.351 10 0 ADAERP C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 169228869 344349054 /nfs/dbraw/zinc/34/90/54/344349054.db2.gz AXUAYPRNWPXCIP-UWVGGRQHSA-N 2 0 162.236 1.351 10 0 ADAERP C[NH+](C)[C@H]1C[C@@H]([NH3+])c2ccccc21 169251057 344349797 /nfs/dbraw/zinc/34/97/97/344349797.db2.gz RABPSTHGNXQMHS-MNOVXSKESA-N 2 0 176.263 1.693 10 0 ADAERP C[NH+](C)[C@@H]1C[C@@H]([NH3+])c2ccccc21 169250986 344349870 /nfs/dbraw/zinc/34/98/70/344349870.db2.gz RABPSTHGNXQMHS-GHMZBOCLSA-N 2 0 176.263 1.693 10 0 ADAERP C[NH+](C)[C@@H]1C[C@H]([NH3+])c2ccccc21 169250831 344349984 /nfs/dbraw/zinc/34/99/84/344349984.db2.gz RABPSTHGNXQMHS-WDEREUQCSA-N 2 0 176.263 1.693 10 0 ADAERP C[NH+](C)[C@H]1C[C@H]([NH3+])c2ccccc21 169250904 344350120 /nfs/dbraw/zinc/35/01/20/344350120.db2.gz RABPSTHGNXQMHS-QWRGUYRKSA-N 2 0 176.263 1.693 10 0 ADAERP C[C@H]1CC[C@@H]2[NH2+][C@H](C)CC[C@@H]2[NH2+]1 169558343 344350815 /nfs/dbraw/zinc/35/08/15/344350815.db2.gz LQPIKJMBUZADGZ-JXUBOQSCSA-N 2 0 168.284 1.267 10 0 ADAERP Cc1c[nH+]c(C)n1[C@H]1CC[NH2+]C1 169793052 344352232 /nfs/dbraw/zinc/35/22/32/344352232.db2.gz DSKFGVJJZYLIGA-VIFPVBQESA-N 2 0 165.240 1.034 10 0 ADAERP Cc1c[nH+]c(C2CCC2)n1CC[NH3+] 169793062 344352216 /nfs/dbraw/zinc/35/22/16/344352216.db2.gz QBFSBLQNSNUWSC-UHFFFAOYSA-N 2 0 179.267 1.418 10 0 ADAERP Cc1c[nH+]c(C2CC2)n1CC[NH3+] 169793058 344352229 /nfs/dbraw/zinc/35/22/29/344352229.db2.gz PRFFMNXUFYTVCC-UHFFFAOYSA-N 2 0 165.240 1.028 10 0 ADAERP Cc1c[nH+]c(C)n1[C@@H]1CC[NH2+]C1 169793051 344352237 /nfs/dbraw/zinc/35/22/37/344352237.db2.gz DSKFGVJJZYLIGA-SECBINFHSA-N 2 0 165.240 1.034 10 0 ADAERP CC[NH2+]C1CCC(C[NH3+])CC1 201325896 344365209 /nfs/dbraw/zinc/36/52/09/344365209.db2.gz DCHQKJZVYLWDJS-UHFFFAOYSA-N 2 0 156.273 1.113 10 0 ADAERP CC[NH+]1CCC(c2ncc[nH]2)CC1 204665153 344369932 /nfs/dbraw/zinc/36/99/32/344369932.db2.gz FEUIOBSOHLFXGT-UHFFFAOYSA-N 2 0 179.267 1.609 10 0 ADAERP CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 211343498 344377298 /nfs/dbraw/zinc/37/72/98/344377298.db2.gz GDORNWZPLNDHTP-SNVBAGLBSA-N 2 0 168.284 1.082 10 0 ADAERP CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 211343336 344377334 /nfs/dbraw/zinc/37/73/34/344377334.db2.gz GEVWQEITOIQELW-LLVKDONJSA-N 2 0 182.311 1.472 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344388699 /nfs/dbraw/zinc/38/86/99/344388699.db2.gz FAYBCEPRWWQXGT-UMBAGQNISA-N 2 0 182.311 1.622 10 0 ADAERP CC[C@@]1(CN2CC[C@H](C)C2)CCC[NH2+]1 215367538 344388749 /nfs/dbraw/zinc/38/87/49/344388749.db2.gz SESVEFYKEBGPJW-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@@H]([NH3+])C[C@H]1CCCCC[N@@H+]1C 215723945 344391374 /nfs/dbraw/zinc/39/13/74/344391374.db2.gz KFPIPINIUNMKST-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]([NH3+])C[C@H]1CCCCC[N@@H+]1C 215723898 344391463 /nfs/dbraw/zinc/39/14/63/344391463.db2.gz KFPIPINIUNMKST-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@H]([NH3+])C[C@@H]1CCCCC[N@@H+]1C 215723802 344391475 /nfs/dbraw/zinc/39/14/75/344391475.db2.gz KFPIPINIUNMKST-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@@H]([NH3+])C[C@@H]1CCCCC[N@@H+]1C 215723849 344391497 /nfs/dbraw/zinc/39/14/97/344391497.db2.gz KFPIPINIUNMKST-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP [NH3+]C[C@H]1CCCC[N@H+](CC2CC2)C1 215781131 344391909 /nfs/dbraw/zinc/39/19/09/344391909.db2.gz 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/nfs/dbraw/zinc/49/79/70/344497970.db2.gz HSXBNDQILUNSAQ-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CCC[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226297060 344497988 /nfs/dbraw/zinc/49/79/88/344497988.db2.gz SRONFJIUDMTGPX-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP CCCC[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226298627 344498170 /nfs/dbraw/zinc/49/81/70/344498170.db2.gz HSXBNDQILUNSAQ-UWVGGRQHSA-N 2 0 170.300 1.456 10 0 ADAERP CC[NH+]1CCC(C)(C(N)=[NH2+])CC1 226332246 344499760 /nfs/dbraw/zinc/49/97/60/344499760.db2.gz PWXDCAFRSXLMKT-UHFFFAOYSA-N 2 0 169.272 1.044 10 0 ADAERP CCC[NH+]1CCC(C)(C(N)=[NH2+])CC1 226333727 344499991 /nfs/dbraw/zinc/49/99/91/344499991.db2.gz OAKIYEVUFPMBIX-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP C[C@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347567 344500321 /nfs/dbraw/zinc/50/03/21/344500321.db2.gz QQCXDTONDCLBRY-IVZWLZJFSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347561 344500476 /nfs/dbraw/zinc/50/04/76/344500476.db2.gz QQCXDTONDCLBRY-OPRDCNLKSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](C[NH3+])C1 226373895 344500855 /nfs/dbraw/zinc/50/08/55/344500855.db2.gz GWFKNANEIRWJCR-GRYCIOLGSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H](C[NH3+])C1 226373886 344500873 /nfs/dbraw/zinc/50/08/73/344500873.db2.gz GWFKNANEIRWJCR-WOPDTQHZSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H]1CC[C@H](C)[N@H+](C[C@H](C)C[NH3+])C1 226392772 344501354 /nfs/dbraw/zinc/50/13/54/344501354.db2.gz DPAHXVHZGWDBRU-AXFHLTTASA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H]1CSCC[N@H+]1[C@H](C)CC[NH3+] 226392801 344501446 /nfs/dbraw/zinc/50/14/46/344501446.db2.gz MPAWDKJIDREKHA-BDAKNGLRSA-N 2 0 188.340 1.161 10 0 ADAERP C1C[NH2+]CC[C@@H]([NH+]2CC3(CCC3)C2)C1 226482709 344504089 /nfs/dbraw/zinc/50/40/89/344504089.db2.gz OCHWTKWNYMPCKC-NSHDSACASA-N 2 0 194.322 1.614 10 0 ADAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H](C[NH+](C)C)C1 226476199 344504116 /nfs/dbraw/zinc/50/41/16/344504116.db2.gz AXWHSRITMXSHSL-UTUOFQBUSA-N 2 0 198.354 1.948 10 0 ADAERP C[C@H]1CC[N@@H+]1[C@@H]1CCC[NH2+]CC1 226482410 344504171 /nfs/dbraw/zinc/50/41/71/344504171.db2.gz ADLADZICACGTLM-VHSXEESVSA-N 2 0 168.284 1.223 10 0 ADAERP C1C[NH2+]CC[C@H]([NH+]2CC3(CC3)C2)C1 226482169 344504188 /nfs/dbraw/zinc/50/41/88/344504188.db2.gz QVZCMHJMYJBOPY-SNVBAGLBSA-N 2 0 180.295 1.224 10 0 ADAERP C1=CC[NH+]([C@H]2CCC[NH2+]CC2)C1 226482436 344504292 /nfs/dbraw/zinc/50/42/92/344504292.db2.gz FWTHDDDZCUMWJP-JTQLQIEISA-N 2 0 166.268 1.000 10 0 ADAERP CCC1C[NH+]([C@H]2CCC[NH2+]CC2)C1 226482399 344504336 /nfs/dbraw/zinc/50/43/36/344504336.db2.gz YBAFRESIWGGTAP-NSHDSACASA-N 2 0 182.311 1.470 10 0 ADAERP CCC1C[NH+]([C@@H]2CCC[NH2+]CC2)C1 226482395 344504343 /nfs/dbraw/zinc/50/43/43/344504343.db2.gz YBAFRESIWGGTAP-LLVKDONJSA-N 2 0 182.311 1.470 10 0 ADAERP C1=CC[NH+]([C@@H]2CCC[NH2+]CC2)C1 226482430 344504355 /nfs/dbraw/zinc/50/43/55/344504355.db2.gz FWTHDDDZCUMWJP-SNVBAGLBSA-N 2 0 166.268 1.000 10 0 ADAERP CC1C[NH+]([C@H]2CCC[NH2+]CC2)C1 226482907 344504605 /nfs/dbraw/zinc/50/46/05/344504605.db2.gz SYSLIOJIOQQFKT-JTQLQIEISA-N 2 0 168.284 1.080 10 0 ADAERP C[NH2+][C@@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226562851 344506726 /nfs/dbraw/zinc/50/67/26/344506726.db2.gz FPRWPBDHOFXTDC-SRVKXCTJSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226612999 344508680 /nfs/dbraw/zinc/50/86/80/344508680.db2.gz VXVMMMUOYFNKLG-SRVKXCTJSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226612985 344508842 /nfs/dbraw/zinc/50/88/42/344508842.db2.gz VXVMMMUOYFNKLG-WOPDTQHZSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 226640115 344509059 /nfs/dbraw/zinc/50/90/59/344509059.db2.gz AQVYEEYAUATALR-VHSXEESVSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@](C)([NH3+])C[N@@H+]1CC[C@@H](C)C1 226693346 344510264 /nfs/dbraw/zinc/51/02/64/344510264.db2.gz SHRBYKFFMHEAIL-NXEZZACHSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@](C)([NH3+])C[N@@H+]1CC[C@@H](C)C1 226693354 344510436 /nfs/dbraw/zinc/51/04/36/344510436.db2.gz SHRBYKFFMHEAIL-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@H]1CCCCC[N@H+]1[C@H](C)CC[NH3+] 226728099 344511201 /nfs/dbraw/zinc/51/12/01/344511201.db2.gz KDOLBSTVHOPXFK-WDEREUQCSA-N 2 0 184.327 1.988 10 0 ADAERP C[C@@H]1CC[N@@H+]([C@H](C)CC(N)=[NH2+])C1 226759189 344512571 /nfs/dbraw/zinc/51/25/71/344512571.db2.gz QSFLGEDTKSRJRX-HTQZYQBOSA-N 2 0 169.272 1.043 10 0 ADAERP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C)C1 226761906 344512604 /nfs/dbraw/zinc/51/26/04/344512604.db2.gz YSBDIUUGSYFPPG-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@@H]1CC[N@@H+]([C@H](C)CC[NH3+])C1 226755996 344512619 /nfs/dbraw/zinc/51/26/19/344512619.db2.gz BDQKSRSASCQQOZ-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CC[C@@H](C)C1 226757815 344512644 /nfs/dbraw/zinc/51/26/44/344512644.db2.gz FYEOXLDZMMXLSQ-BBBLOLIVSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)C1 226761914 344512757 /nfs/dbraw/zinc/51/27/57/344512757.db2.gz YSBDIUUGSYFPPG-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H]([NH3+])CC[N@@H+]1CC[C@@H](C)C1 226757602 344512769 /nfs/dbraw/zinc/51/27/69/344512769.db2.gz XCUVTIMMMVXAAG-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H](C)C1 226757825 344512835 /nfs/dbraw/zinc/51/28/35/344512835.db2.gz FYEOXLDZMMXLSQ-UTLUCORTSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1C[NH2+]C1CCCC1 226859400 344515745 /nfs/dbraw/zinc/51/57/45/344515745.db2.gz FLKQHVPIAGGNJL-MWLCHTKSSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]1C[NH2+]C1CCCC1 226859418 344515752 /nfs/dbraw/zinc/51/57/52/344515752.db2.gz FLKQHVPIAGGNJL-KOLCDFICSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]1CCCN1C[C@@H]1[NH2+]CC[C@H]1C 226858441 344515781 /nfs/dbraw/zinc/51/57/81/344515781.db2.gz MEALPIJSCDMVCG-VWYCJHECSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1CN1CCCCCC1 226853365 344515831 /nfs/dbraw/zinc/51/58/31/344515831.db2.gz XYRNBEVZFAVXGF-VXGBXAGGSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1CCCN1C[C@H]1[NH2+]CC[C@H]1C 226858424 344515860 /nfs/dbraw/zinc/51/58/60/344515860.db2.gz MEALPIJSCDMVCG-OUAUKWLOSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H]1CCCN1C[C@@H]1[NH2+]CC[C@@H]1C 226858507 344515943 /nfs/dbraw/zinc/51/59/43/344515943.db2.gz LMLWLKIXCITDEJ-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@H]1CC[NH2+][C@@H]1C[NH2+]C1CCCC1 226859411 344515926 /nfs/dbraw/zinc/51/59/26/344515926.db2.gz FLKQHVPIAGGNJL-GXSJLCMTSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]1CC[NH2+][C@@H]1CN1CCCCCC1 226853372 344515958 /nfs/dbraw/zinc/51/59/58/344515958.db2.gz XYRNBEVZFAVXGF-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]1CN1CCCCCC1 226853377 344515998 /nfs/dbraw/zinc/51/59/98/344515998.db2.gz XYRNBEVZFAVXGF-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1CC[NH2+][C@H]1CN1CCCCCC1 226853386 344516032 /nfs/dbraw/zinc/51/60/32/344516032.db2.gz XYRNBEVZFAVXGF-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1CC[NH2+][C@H]1C[NH2+]C1CCCC1 226859423 344516042 /nfs/dbraw/zinc/51/60/42/344516042.db2.gz FLKQHVPIAGGNJL-ONGXEEELSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]1CC[NH2+][C@H]1CN1CC[C@@H](C)C1 226860620 344516048 /nfs/dbraw/zinc/51/60/48/344516048.db2.gz OWLAKGTZVBNNLH-VWYCJHECSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]1C[C@@H](N2CCCC2=[NH2+])CC[N@@H+]1C 226878713 344516275 /nfs/dbraw/zinc/51/62/75/344516275.db2.gz VBLYBKSEZWRCSG-UWVGGRQHSA-N 2 0 195.310 1.542 10 0 ADAERP [NH3+]C1CC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)C1 226874010 344516296 /nfs/dbraw/zinc/51/62/96/344516296.db2.gz LMUNYNBBBAZKHU-XKGSQUFQSA-N 2 0 194.322 1.741 10 0 ADAERP C[C@H]1CC[NH2+][C@H]1C[NH2+]C1CCC1 226866521 344516357 /nfs/dbraw/zinc/51/63/57/344516357.db2.gz YIVUDMAFYZPDTQ-WPRPVWTQSA-N 2 0 168.284 1.127 10 0 ADAERP C[C@H]1CC[N@H+](C2CC([NH3+])C2)[C@@H](C)C1 226874902 344516437 /nfs/dbraw/zinc/51/64/37/344516437.db2.gz OATVCPQQGRGSFK-SAAXCQNUSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1CC[NH2+][C@H]1C[NH2+]C1CCC1 226866517 344516450 /nfs/dbraw/zinc/51/64/50/344516450.db2.gz YIVUDMAFYZPDTQ-SCZZXKLOSA-N 2 0 168.284 1.127 10 0 ADAERP C[C@H]1CC[NH2+][C@@H]1C[NH2+]C1CCC1 226866510 344516468 /nfs/dbraw/zinc/51/64/68/344516468.db2.gz YIVUDMAFYZPDTQ-WCBMZHEXSA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+]C1CC([N@@H+]2CCC[C@H]3CCC[C@@H]32)C1 226874018 344516479 /nfs/dbraw/zinc/51/64/79/344516479.db2.gz LMUNYNBBBAZKHU-YYJSSNLHSA-N 2 0 194.322 1.741 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1C[NH2+]C1(C)CCCC1 226870347 344516508 /nfs/dbraw/zinc/51/65/08/344516508.db2.gz CNWHAKMTVIGEFA-GHMZBOCLSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]1CC[NH2+][C@H]1C[NH2+]C1(C)CCCC1 226870365 344516515 /nfs/dbraw/zinc/51/65/15/344516515.db2.gz CNWHAKMTVIGEFA-QWRGUYRKSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]1CC[NH2+][C@@H]1C[NH2+]C1(C)CCCC1 226870354 344516574 /nfs/dbraw/zinc/51/65/74/344516574.db2.gz CNWHAKMTVIGEFA-WDEREUQCSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]1C[C@H](C)CC[N@@H+]1C1CC([NH3+])C1 226874894 344516582 /nfs/dbraw/zinc/51/65/82/344516582.db2.gz OATVCPQQGRGSFK-MFQSTILNSA-N 2 0 182.311 1.597 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 226917707 344517370 /nfs/dbraw/zinc/51/73/70/344517370.db2.gz LCIWFSLSZPCLEY-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1CC[C@H]([NH3+])[C@@H](C[NH+](C)C)C1 226980680 344518722 /nfs/dbraw/zinc/51/87/22/344518722.db2.gz YBLCYUZCPUIGBM-BBBLOLIVSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](C[NH+](C)C)C1 226980668 344518749 /nfs/dbraw/zinc/51/87/49/344518749.db2.gz YBLCYUZCPUIGBM-OPRDCNLKSA-N 2 0 170.300 1.312 10 0 ADAERP CC[C@@H]1CC[C@@H]([NH3+])[C@@H](C[NH+](C)C)C1 226980747 344518782 /nfs/dbraw/zinc/51/87/82/344518782.db2.gz JYJPBJYDKBVBEM-GMTAPVOTSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[NH+](C)C 226980710 344518803 /nfs/dbraw/zinc/51/88/03/344518803.db2.gz OKGMOIWMIMJPQQ-HBNTYKKESA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@@H]1CC[C@H]([NH3+])[C@@H](C[NH+](C)C)C1 226980763 344518832 /nfs/dbraw/zinc/51/88/32/344518832.db2.gz JYJPBJYDKBVBEM-MXWKQRLJSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[NH+](C)C 226980696 344518874 /nfs/dbraw/zinc/51/88/74/344518874.db2.gz OKGMOIWMIMJPQQ-GMTAPVOTSA-N 2 0 184.327 1.572 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 227070549 344521051 /nfs/dbraw/zinc/52/10/51/344521051.db2.gz SSHKOVPYPOBNSW-OHINUGQQSA-N 2 0 168.284 1.232 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227070543 344521075 /nfs/dbraw/zinc/52/10/75/344521075.db2.gz SSHKOVPYPOBNSW-FCVPOFOPSA-N 2 0 168.284 1.232 10 0 ADAERP CC(C)=CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227069435 344521154 /nfs/dbraw/zinc/52/11/54/344521154.db2.gz PRRQJCGXNBWETH-WDEREUQCSA-N 2 0 182.311 1.622 10 0 ADAERP C[C@H]1CC[N@H+](CCC2C[NH2+]C2)[C@@H](C)C1 227162594 344524007 /nfs/dbraw/zinc/52/40/07/344524007.db2.gz QWDANOUCRLJFRZ-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H](C1CCCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 227162090 344524083 /nfs/dbraw/zinc/52/40/83/344524083.db2.gz XYULSIRPMVZEGW-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@H](CC[NH3+])[N@@H+]1CCC[C@@H]2CCC[C@@H]21 227159746 344524129 /nfs/dbraw/zinc/52/41/29/344524129.db2.gz BZTQFLYAXWANEE-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1C[C@H](C)CC[N@@H+]1CCC1C[NH2+]C1 227162585 344524136 /nfs/dbraw/zinc/52/41/36/344524136.db2.gz QWDANOUCRLJFRZ-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 227199620 344524935 /nfs/dbraw/zinc/52/49/35/344524935.db2.gz LLATYDIRAMZWFE-OUAUKWLOSA-N 2 0 184.327 1.700 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 227201256 344525140 /nfs/dbraw/zinc/52/51/40/344525140.db2.gz CCYTWJAQOFOMDY-IVZWLZJFSA-N 2 0 170.300 1.454 10 0 ADAERP CC(=[NH2+])NCC1(C)CC[NH+](C)CC1 227197343 344525258 /nfs/dbraw/zinc/52/52/58/344525258.db2.gz NGXMOGWKPTVIRZ-UHFFFAOYSA-N 2 0 183.299 1.305 10 0 ADAERP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1 227216340 344525496 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DQUZJBQOWNVIGG-WHXUTIOJSA-N 2 0 196.338 1.892 10 0 ADAERP CC1(C)C[C@@H]1C[N@@H+]1CC[C@@H](N)C1 232865777 344695760 /nfs/dbraw/zinc/69/57/60/344695760.db2.gz GRFSECOBLSDPMF-RKDXNWHRSA-N 2 0 168.284 1.066 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C1CC[NH2+]CC1 232908692 344696874 /nfs/dbraw/zinc/69/68/74/344696874.db2.gz SKLYDNWJQVETTM-SECBINFHSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC1C[NH+]([C@@H]2CC[NH2+][C@H](C)C2)C1 232905228 344696894 /nfs/dbraw/zinc/69/68/94/344696894.db2.gz NJCXVSYANZRKRC-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP CCCC1C[NH+]([C@H]2CC[NH2+][C@@H](C)C2)C1 232905468 344696980 /nfs/dbraw/zinc/69/69/80/344696980.db2.gz NJCXVSYANZRKRC-JQWIXIFHSA-N 2 0 196.338 1.859 10 0 ADAERP CCCC1C[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 232905179 344696990 /nfs/dbraw/zinc/69/69/90/344696990.db2.gz NJCXVSYANZRKRC-CMPLNLGQSA-N 2 0 196.338 1.859 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C1CC([NH3+])C1 232908468 344697035 /nfs/dbraw/zinc/69/70/35/344697035.db2.gz MFFPILCJPKZQPF-AFPNSQJFSA-N 2 0 168.284 1.112 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 232908513 344697049 /nfs/dbraw/zinc/69/70/49/344697049.db2.gz DQUZJBQOWNVIGG-KPPDAEKUSA-N 2 0 196.338 1.892 10 0 ADAERP CC1(C)C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 232915186 344697067 /nfs/dbraw/zinc/69/70/67/344697067.db2.gz ARNGBGQLMVWDED-WDEREUQCSA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 232920455 344697137 /nfs/dbraw/zinc/69/71/37/344697137.db2.gz ARNGBGQLMVWDED-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP CCC1C[NH+]([C@H]2CC[NH2+][C@H](C)C2)C1 232933177 344697538 /nfs/dbraw/zinc/69/75/38/344697538.db2.gz MHFQMGNAFCOFHM-KOLCDFICSA-N 2 0 182.311 1.469 10 0 ADAERP CCC1C[NH+]([C@@H]2CC[NH2+][C@H](C)C2)C1 232932928 344697581 /nfs/dbraw/zinc/69/75/81/344697581.db2.gz MHFQMGNAFCOFHM-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 232958101 344697584 /nfs/dbraw/zinc/69/75/84/344697584.db2.gz ARNGBGQLMVWDED-GHMZBOCLSA-N 2 0 196.338 1.764 10 0 ADAERP CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 232962351 344698028 /nfs/dbraw/zinc/69/80/28/344698028.db2.gz ARNGBGQLMVWDED-MNOVXSKESA-N 2 0 196.338 1.764 10 0 ADAERP CCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232963224 344698074 /nfs/dbraw/zinc/69/80/74/344698074.db2.gz HTMOSHHXOXADSI-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CCCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 232963795 344698209 /nfs/dbraw/zinc/69/82/09/344698209.db2.gz HTMOSHHXOXADSI-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP CC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 233021143 344698594 /nfs/dbraw/zinc/69/85/94/344698594.db2.gz LQZQGTANNJQAPH-LLVKDONJSA-N 2 0 196.338 1.908 10 0 ADAERP CC1(C[NH2+][C@@H]2CC[C@H]([NH3+])C2)CC1 233024313 344698687 /nfs/dbraw/zinc/69/86/87/344698687.db2.gz BZPVPTLQGHKKTQ-DTWKUNHWSA-N 2 0 168.284 1.256 10 0 ADAERP CC1(C[NH2+][C@@H]2CC[C@@H]([NH3+])C2)CC1 233023837 344698693 /nfs/dbraw/zinc/69/86/93/344698693.db2.gz BZPVPTLQGHKKTQ-RKDXNWHRSA-N 2 0 168.284 1.256 10 0 ADAERP CC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC1 233028463 344699246 /nfs/dbraw/zinc/69/92/46/344699246.db2.gz LQZQGTANNJQAPH-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP CC1(C[NH2+][C@H]2CC[C@H]([NH3+])C2)CC1 233030658 344699351 /nfs/dbraw/zinc/69/93/51/344699351.db2.gz BZPVPTLQGHKKTQ-IUCAKERBSA-N 2 0 168.284 1.256 10 0 ADAERP CC1(C[NH2+][C@H]2CC[C@@H]([NH3+])C2)CC1 233030374 344699459 /nfs/dbraw/zinc/69/94/59/344699459.db2.gz BZPVPTLQGHKKTQ-BDAKNGLRSA-N 2 0 168.284 1.256 10 0 ADAERP CCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 233280783 344699822 /nfs/dbraw/zinc/69/98/22/344699822.db2.gz GOVUUOVLTVWIRL-DTWKUNHWSA-N 2 0 158.289 1.502 10 0 ADAERP CCC[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+][C@@H](C)C1 233300434 344700044 /nfs/dbraw/zinc/70/00/44/344700044.db2.gz MLVJMQZDSTYXNL-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]1C[C@H]1[N@@H+]1CC[NH2+][C@@H](C)CC1 233300486 344700143 /nfs/dbraw/zinc/70/01/43/344700143.db2.gz PCGAYBKRUSOOIZ-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 233301313 344700182 /nfs/dbraw/zinc/70/01/82/344700182.db2.gz DFDCXCPJZNDZCM-QCNOEVLYSA-N 2 0 196.338 1.844 10 0 ADAERP CCC[C@@H]1C[C@@H]1[N@@H+]1CC[NH2+][C@@H](C)CC1 233301269 344700216 /nfs/dbraw/zinc/70/02/16/344700216.db2.gz PCGAYBKRUSOOIZ-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+][C@@H](C)C1 233301199 344700285 /nfs/dbraw/zinc/70/02/85/344700285.db2.gz MLVJMQZDSTYXNL-TUAOUCFPSA-N 2 0 196.338 1.859 10 0 ADAERP CCC[C@@H]1C[C@@H]1[NH+]1CCC[NH2+]CCC1 233301191 344700350 /nfs/dbraw/zinc/70/03/50/344700350.db2.gz DNALWIGJYXISGV-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 233337426 344700714 /nfs/dbraw/zinc/70/07/14/344700714.db2.gz GOVUUOVLTVWIRL-IUCAKERBSA-N 2 0 158.289 1.502 10 0 ADAERP CCC[C@H]1C[C@H]1[NH+]1CCC[NH2+]CCC1 233361734 344701107 /nfs/dbraw/zinc/70/11/07/344701107.db2.gz DNALWIGJYXISGV-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[C@H]1C[C@@H]1[NH+]1CCC[NH2+]CCC1 233368659 344701116 /nfs/dbraw/zinc/70/11/16/344701116.db2.gz DNALWIGJYXISGV-RYUDHWBXSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 233421502 344701658 /nfs/dbraw/zinc/70/16/58/344701658.db2.gz JXKVCMQILYQCGW-UWVGGRQHSA-N 2 0 170.300 1.326 10 0 ADAERP CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 233466519 344702173 /nfs/dbraw/zinc/70/21/73/344702173.db2.gz JXKVCMQILYQCGW-VHSXEESVSA-N 2 0 170.300 1.326 10 0 ADAERP CC[N@H+](C1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 233445438 344702183 /nfs/dbraw/zinc/70/21/83/344702183.db2.gz OPRBCTKFOSAGBN-DHHPTOIESA-N 2 0 194.322 1.754 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 233929812 344707592 /nfs/dbraw/zinc/70/75/92/344707592.db2.gz VWHDJZXWXQUVFO-ZDCRXTMVSA-N 2 0 182.311 1.597 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+][C@@H](C)C1 233929404 344707684 /nfs/dbraw/zinc/70/76/84/344707684.db2.gz KWUDLVQYXCQWTA-AXFHLTTASA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH+]1CCC([NH3+])CC1 233929292 344707710 /nfs/dbraw/zinc/70/77/10/344707710.db2.gz SAHDBLZCOOEUGO-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CC[NH2+]C[C@@H](C)C1 233929584 344707714 /nfs/dbraw/zinc/70/77/14/344707714.db2.gz DUKBWIYYCWRUIC-MXWKQRLJSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+]CC1 233929356 344707733 /nfs/dbraw/zinc/70/77/33/344707733.db2.gz JOJASZLXSFLPSM-ZJUUUORDSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH+]1CCC[NH2+]CCC1 233929367 344707772 /nfs/dbraw/zinc/70/77/72/344707772.db2.gz JJNGAJHOVFJEDG-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@@H]1C[C@H]1[NH+]1CCC[NH2+]CCC1 233934693 344708111 /nfs/dbraw/zinc/70/81/11/344708111.db2.gz JJNGAJHOVFJEDG-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CC[NH2+]C[C@@H](C)C1 233934839 344708142 /nfs/dbraw/zinc/70/81/42/344708142.db2.gz DUKBWIYYCWRUIC-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+][C@@H](C)C1 233934719 344708156 /nfs/dbraw/zinc/70/81/56/344708156.db2.gz KWUDLVQYXCQWTA-HBNTYKKESA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H]1C[N@@H+](C2CC2)CC[C@@H]1[NH3+] 233937920 344708183 /nfs/dbraw/zinc/70/81/83/344708183.db2.gz LNOLTVJLCXQBKL-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@@H]1C[C@H]1[NH+]1CCC([NH3+])CC1 233934653 344708196 /nfs/dbraw/zinc/70/81/96/344708196.db2.gz SAHDBLZCOOEUGO-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+]CC1 233934684 344708231 /nfs/dbraw/zinc/70/82/31/344708231.db2.gz JOJASZLXSFLPSM-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@@H]1C[C@H]1[N@@H+]1CC[NH2+][C@@H](C)CC1 233934904 344708263 /nfs/dbraw/zinc/70/82/63/344708263.db2.gz XWNRHDYCGCYYGH-HBNTYKKESA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H]1C[C@H]1[NH2+]C1CCC([NH3+])CC1 233948750 344708595 /nfs/dbraw/zinc/70/85/95/344708595.db2.gz SSGLAIJVAGAYQV-AGVGLQIMSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C1CCC([NH3+])CC1 233948753 344708786 /nfs/dbraw/zinc/70/87/86/344708786.db2.gz SSGLAIJVAGAYQV-SFXRXQKFSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 234018701 344710295 /nfs/dbraw/zinc/71/02/95/344710295.db2.gz FLGJRKYGGOWYHY-VGMNWLOBSA-N 2 0 156.273 1.064 10 0 ADAERP CC[C@H]1C[C@H]1[N@@H+]1CCC[NH2+]CC1 234054821 344711043 /nfs/dbraw/zinc/71/10/43/344711043.db2.gz JOJASZLXSFLPSM-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@H]1C[C@H]1[NH+]1CCC[NH2+]CCC1 234054835 344711054 /nfs/dbraw/zinc/71/10/54/344711054.db2.gz JJNGAJHOVFJEDG-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP CC[C@H]1C[C@@H]1[NH+]1CCC([NH3+])CC1 234062541 344711757 /nfs/dbraw/zinc/71/17/57/344711757.db2.gz SAHDBLZCOOEUGO-WPRPVWTQSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@H]1C[C@H]1[NH2+]C1CCC([NH3+])CC1 234086257 344712211 /nfs/dbraw/zinc/71/22/11/344712211.db2.gz SSGLAIJVAGAYQV-IDWGSYCQSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H]1C[N@@H+](C2CC2)CC[C@@H]1[NH3+] 234109687 344712400 /nfs/dbraw/zinc/71/24/00/344712400.db2.gz LNOLTVJLCXQBKL-WPRPVWTQSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@H]1C[C@@H]1[NH2+]C1CCC([NH3+])CC1 234094816 344712632 /nfs/dbraw/zinc/71/26/32/344712632.db2.gz SSGLAIJVAGAYQV-PMUOWJKOSA-N 2 0 182.311 1.644 10 0 ADAERP CCn1ccnc1[C@@H]1C[NH2+]CC[C@H]1C 234218438 344714850 /nfs/dbraw/zinc/71/48/50/344714850.db2.gz PHIIPHUZSBRLON-NXEZZACHSA-N 2 0 193.294 1.616 10 0 ADAERP C[N@H+](C1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 234251574 344715821 /nfs/dbraw/zinc/71/58/21/344715821.db2.gz VWTUAWFAKXPKHF-SLHIUPAKSA-N 2 0 180.295 1.364 10 0 ADAERP C[NH2+]C1CC[NH+](CC2(C)CC2)CC1 234345509 344718087 /nfs/dbraw/zinc/71/80/87/344718087.db2.gz SMHYSFYRSWJCES-UHFFFAOYSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC2(C)CC2)[C@@H](C)C1 234449154 344720855 /nfs/dbraw/zinc/72/08/55/344720855.db2.gz LPXLMKAJQBBPJZ-WDEREUQCSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC2(C)CC2)C[C@@H]1C 234449110 344721008 /nfs/dbraw/zinc/72/10/08/344721008.db2.gz CTGVOUZVXPJGCZ-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC2(C)CC2)C[C@@H]1C 234511095 344722128 /nfs/dbraw/zinc/72/21/28/344722128.db2.gz CTGVOUZVXPJGCZ-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+][C@H]1CC[N@H+](CC2(C)CC2)[C@@H](C)C1 234511132 344722164 /nfs/dbraw/zinc/72/21/64/344722164.db2.gz LPXLMKAJQBBPJZ-QWRGUYRKSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C1CC1 235157275 344734562 /nfs/dbraw/zinc/73/45/62/344734562.db2.gz YEOXGZQESPWYES-PSASIEDQSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C)CC1 235178715 344734900 /nfs/dbraw/zinc/73/49/00/344734900.db2.gz CHKQEWGSMVBKON-MXWKQRLJSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C2CC2)C1 235167718 344734939 /nfs/dbraw/zinc/73/49/39/344734939.db2.gz XMZKWCUZOWHRAW-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C)CC1 235178560 344735003 /nfs/dbraw/zinc/73/50/03/344735003.db2.gz CHKQEWGSMVBKON-GMTAPVOTSA-N 2 0 184.327 1.892 10 0 ADAERP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C2CC2)C1 235167939 344735069 /nfs/dbraw/zinc/73/50/69/344735069.db2.gz XMZKWCUZOWHRAW-BDAKNGLRSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC(C)(C)C[C@@]1([NH3+])C[NH3+] 235266325 344738885 /nfs/dbraw/zinc/73/88/85/344738885.db2.gz BEIQYFSWXCVJIJ-VXNVDRBHSA-N 2 0 156.273 1.099 10 0 ADAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C1CC1 235264524 344738940 /nfs/dbraw/zinc/73/89/40/344738940.db2.gz ZASVNSWPUPMVHV-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1(C)CC1 235290612 344741290 /nfs/dbraw/zinc/74/12/90/344741290.db2.gz QUDSQTFMQJAQBW-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1CC1 235293565 344741328 /nfs/dbraw/zinc/74/13/28/344741328.db2.gz ZASVNSWPUPMVHV-BDAKNGLRSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CCC[C@@H]([NH2+]CC2C[NH2+]C2)CC1 235303935 344742283 /nfs/dbraw/zinc/74/22/83/344742283.db2.gz VHCSHDQWEAZTNG-ZYHUDNBSSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1C[NH2+]C1CCC1 235312656 344742694 /nfs/dbraw/zinc/74/26/94/344742694.db2.gz POGHRXQDONSWEI-KOLCDFICSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1CCC[NH2+][C@H]1C[NH2+]C1CCCC1 235312714 344742808 /nfs/dbraw/zinc/74/28/08/344742808.db2.gz VOUYBDNBEFFREF-PWSUYJOCSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1CCC[NH2+][C@@H]1C[NH2+]C1CCCC1 235324164 344743141 /nfs/dbraw/zinc/74/31/41/344743141.db2.gz VOUYBDNBEFFREF-ZYHUDNBSSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H](C1CC1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235325889 344743407 /nfs/dbraw/zinc/74/34/07/344743407.db2.gz CGVQLJMPXZFUJB-WEDXCCLWSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@@H]1C[N@@H+](C2CCCC2)C[C@@H]1[NH3+] 235332411 344743671 /nfs/dbraw/zinc/74/36/71/344743671.db2.gz UJYWCHJRJWQQSF-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[NH+](C2(C[NH3+])CC2)C[C@H]1C 235330830 344743895 /nfs/dbraw/zinc/74/38/95/344743895.db2.gz SDWKSTUAHFMHEQ-RKDXNWHRSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1CC(C)(C)C[C@]1([NH3+])C[NH3+] 235337529 344744237 /nfs/dbraw/zinc/74/42/37/344744237.db2.gz BEIQYFSWXCVJIJ-APPZFPTMSA-N 2 0 156.273 1.099 10 0 ADAERP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[NH2+]1 235345406 344744933 /nfs/dbraw/zinc/74/49/33/344744933.db2.gz KFCSOMSLMDLXNU-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1CC[N@@H+](C2CC2)C[C@@H]1C[NH3+] 235353146 344745580 /nfs/dbraw/zinc/74/55/80/344745580.db2.gz IHNHACJUUOPBTE-BDAKNGLRSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1[NH3+] 235356039 344745716 /nfs/dbraw/zinc/74/57/16/344745716.db2.gz RNMZRCMRGDEUIE-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1[NH3+] 235355916 344745829 /nfs/dbraw/zinc/74/58/29/344745829.db2.gz XJYRTBKXYDPYQL-SCZZXKLOSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1C[N@@H+]([C@H](C)C2CC2)C[C@@H]1[NH3+] 235354625 344745870 /nfs/dbraw/zinc/74/58/70/344745870.db2.gz CGVQLJMPXZFUJB-MRTMQBJTSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2)CC[NH2+]1 235356142 344745883 /nfs/dbraw/zinc/74/58/83/344745883.db2.gz BVRSEMLVTVWVQY-KOLCDFICSA-N 2 0 191.278 1.634 10 0 ADAERP 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/nfs/dbraw/zinc/85/86/77/344858677.db2.gz AMZBVCRDOQFSLN-GMTAPVOTSA-N 2 0 182.311 1.611 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H]1N1C[C@H](C)CC[C@@H]1C 251574784 344858713 /nfs/dbraw/zinc/85/87/13/344858713.db2.gz BUSMUHMSHRZKPK-RHYQMDGZSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@H]1CC[C@@H](C)CN1[C@H]1C[NH2+]C[C@H]1C 251574794 344858753 /nfs/dbraw/zinc/85/87/53/344858753.db2.gz BUSMUHMSHRZKPK-WYUUTHIRSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 251583649 344859131 /nfs/dbraw/zinc/85/91/31/344859131.db2.gz FEGLCDYASZZKDP-OUAUKWLOSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]CC1 251583801 344859309 /nfs/dbraw/zinc/85/93/09/344859309.db2.gz BCCWTAXNYLULHF-QWRGUYRKSA-N 2 0 182.311 1.613 10 0 ADAERP C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H]([NH3+])C2)C1 251582089 344859357 /nfs/dbraw/zinc/85/93/57/344859357.db2.gz BAXRGMISMFSZEX-VWYCJHECSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]CC1 251583796 344859446 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/nfs/dbraw/zinc/88/91/28/344889128.db2.gz QOQFFBKDFXVWNW-ZYUZMQFOSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H]1C[NH3+] 252170438 344889494 /nfs/dbraw/zinc/88/94/94/344889494.db2.gz NVTJDMPTFVORPE-MXWKQRLJSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1C[NH3+] 252170633 344889530 /nfs/dbraw/zinc/88/95/30/344889530.db2.gz NVTJDMPTFVORPE-OUAUKWLOSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]([NH3+])CC[N@@H+]1CCC[C@H]1C 252171794 344889758 /nfs/dbraw/zinc/88/97/58/344889758.db2.gz OCGDMJHKEMBGTL-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CCC[C@H]1C 252180658 344890102 /nfs/dbraw/zinc/89/01/02/344890102.db2.gz PZDQKOQHECDXSG-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@]12C[C@@H](C)[N@@H+](C)C2 252179100 344890223 /nfs/dbraw/zinc/89/02/23/344890223.db2.gz SPEBSLCPMYRQSK-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 252180444 344890259 /nfs/dbraw/zinc/89/02/59/344890259.db2.gz SUZDMZNJFPSOSR-KATARQTJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@]12C[C@@H](C)[N@@H+](C)C2 252179101 344890361 /nfs/dbraw/zinc/89/03/61/344890361.db2.gz SPEBSLCPMYRQSK-MXWKQRLJSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 252180443 344890379 /nfs/dbraw/zinc/89/03/79/344890379.db2.gz SUZDMZNJFPSOSR-IMSYWVGJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H]1[NH3+] 252190638 344890705 /nfs/dbraw/zinc/89/07/05/344890705.db2.gz ROKILCFSWBIONX-OUAUKWLOSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H]1[NH3+] 252190637 344890767 /nfs/dbraw/zinc/89/07/67/344890767.db2.gz ROKILCFSWBIONX-MXWKQRLJSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H]1[NH3+] 252190636 344890785 /nfs/dbraw/zinc/89/07/85/344890785.db2.gz ROKILCFSWBIONX-GMTAPVOTSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)[C@@H](C)C1 252194164 344891019 /nfs/dbraw/zinc/89/10/19/344891019.db2.gz VHRLJPKZUFSYCM-LMLFDSFASA-N 2 0 182.311 1.467 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)[C@H](C)C1 252194166 344891073 /nfs/dbraw/zinc/89/10/73/344891073.db2.gz VHRLJPKZUFSYCM-LNFKQOIKSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C[C@H]1C 252199451 344891085 /nfs/dbraw/zinc/89/10/85/344891085.db2.gz SYUREGQFKVHFSF-VWYCJHECSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)[C@H](C)C1 252194163 344891098 /nfs/dbraw/zinc/89/10/98/344891098.db2.gz VHRLJPKZUFSYCM-GWOFURMSSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1CCC[C@H]1C 252199448 344891125 /nfs/dbraw/zinc/89/11/25/344891125.db2.gz SYUREGQFKVHFSF-GMTAPVOTSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1[C@H](C)CCC[N@@H+]1C1CC[NH2+]CC1 252192309 344891143 /nfs/dbraw/zinc/89/11/43/344891143.db2.gz RUURRMMCDZBDMI-MNOVXSKESA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CCC[C@H]1C 252199449 344891166 /nfs/dbraw/zinc/89/11/66/344891166.db2.gz SYUREGQFKVHFSF-MXWKQRLJSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 252202083 344891361 /nfs/dbraw/zinc/89/13/61/344891361.db2.gz WMDJAYJCFXKSQL-IMSYWVGJSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 252202084 344891492 /nfs/dbraw/zinc/89/14/92/344891492.db2.gz WMDJAYJCFXKSQL-KYXWUPHJSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CCCC[NH2+]C1 252201462 344891631 /nfs/dbraw/zinc/89/16/31/344891631.db2.gz UDTIVMBDRHKWKD-MNOVXSKESA-N 2 0 182.311 1.613 10 0 ADAERP C[C@H]1CCC[N@@H+]1[C@H]1CCCC[NH2+]C1 252201463 344891744 /nfs/dbraw/zinc/89/17/44/344891744.db2.gz UDTIVMBDRHKWKD-QWRGUYRKSA-N 2 0 182.311 1.613 10 0 ADAERP C[C@H]1CCC[N@@H+]([C@H](C)CC[NH3+])C1 252200724 344891766 /nfs/dbraw/zinc/89/17/66/344891766.db2.gz TZKXBNIAYJIQLO-VHSXEESVSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H]([NH3+])C1 252209204 344891903 /nfs/dbraw/zinc/89/19/03/344891903.db2.gz VWFMTMIXFPOEFB-MXWKQRLJSA-N 2 0 182.311 1.741 10 0 ADAERP C[NH2+][C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H]1C 252206422 344891930 /nfs/dbraw/zinc/89/19/30/344891930.db2.gz VFDQXQRDMSSMGI-GMTAPVOTSA-N 2 0 182.311 1.611 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H]1C 252206423 344892096 /nfs/dbraw/zinc/89/20/96/344892096.db2.gz VFDQXQRDMSSMGI-MXWKQRLJSA-N 2 0 182.311 1.611 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H]([NH3+])C1 252209205 344892116 /nfs/dbraw/zinc/89/21/16/344892116.db2.gz VWFMTMIXFPOEFB-VWYCJHECSA-N 2 0 182.311 1.741 10 0 ADAERP C[C@@H](C[N@@H+]1CCCCC[C@H]1C)C(N)=[NH2+] 252207423 344892307 /nfs/dbraw/zinc/89/23/07/344892307.db2.gz VKCKWHRCTUGEHS-VHSXEESVSA-N 2 0 197.326 1.823 10 0 ADAERP C[C@H]1CCC[N@@H+](C[C@H](C)C[NH3+])CC1 252214044 344892648 /nfs/dbraw/zinc/89/26/48/344892648.db2.gz XDWCNLOZJNSWKY-WDEREUQCSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@H]1CC1(C)C 252213376 344892716 /nfs/dbraw/zinc/89/27/16/344892716.db2.gz YQWXYLFXBYRHQY-BBBLOLIVSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C[C@H]2C)C1 252214489 344892702 /nfs/dbraw/zinc/89/27/02/344892702.db2.gz XHFGHCZMJJPIGD-UTUOFQBUSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H]1CC1(C)C 252213377 344892978 /nfs/dbraw/zinc/89/29/78/344892978.db2.gz YQWXYLFXBYRHQY-UTLUCORTSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C[C@H]2C)C1 252214488 344892992 /nfs/dbraw/zinc/89/29/92/344892992.db2.gz XHFGHCZMJJPIGD-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H]1C 252218985 344893224 /nfs/dbraw/zinc/89/32/24/344893224.db2.gz ZWTPAVVOQBBBIR-GWOFURMSSA-N 2 0 182.311 1.325 10 0 ADAERP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H]1C 252218986 344893249 /nfs/dbraw/zinc/89/32/49/344893249.db2.gz ZWTPAVVOQBBBIR-LMLFDSFASA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CC[C@H]1C 252217096 344893342 /nfs/dbraw/zinc/89/33/42/344893342.db2.gz ZLJRWNYWZZDAOB-YTWAJWBKSA-N 2 0 182.311 1.373 10 0 ADAERP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H]1C 252218987 344893375 /nfs/dbraw/zinc/89/33/75/344893375.db2.gz ZWTPAVVOQBBBIR-LNFKQOIKSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]1C 252217097 344893473 /nfs/dbraw/zinc/89/34/73/344893473.db2.gz ZLJRWNYWZZDAOB-ZNSHCXBVSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@H]2CC[NH2+]C2)CC[C@H]1C 252217095 344893565 /nfs/dbraw/zinc/89/35/65/344893565.db2.gz ZLJRWNYWZZDAOB-RCWTZXSCSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H]([NH3+])C1 252221750 344894039 /nfs/dbraw/zinc/89/40/39/344894039.db2.gz ZEZWUSUSBSDCEL-BBBLOLIVSA-N 2 0 168.284 1.351 10 0 ADAERP CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 252389376 344894227 /nfs/dbraw/zinc/89/42/27/344894227.db2.gz IKPQQDATSCQCNF-OPRDCNLKSA-N 2 0 170.300 1.325 10 0 ADAERP CNC[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 252372965 344894268 /nfs/dbraw/zinc/89/42/68/344894268.db2.gz NDYRMHNLXUAZDR-KXUCPTDWSA-N 2 0 168.284 1.127 10 0 ADAERP CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 252388537 344894340 /nfs/dbraw/zinc/89/43/40/344894340.db2.gz FDBQMCCLMAPZFJ-GMTAPVOTSA-N 2 0 184.327 1.715 10 0 ADAERP CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C 252389374 344894433 /nfs/dbraw/zinc/89/44/33/344894433.db2.gz IKPQQDATSCQCNF-KXUCPTDWSA-N 2 0 170.300 1.325 10 0 ADAERP CNC[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 252372966 344894442 /nfs/dbraw/zinc/89/44/42/344894442.db2.gz NDYRMHNLXUAZDR-LPEHRKFASA-N 2 0 168.284 1.127 10 0 ADAERP NC(=[NH2+])CN1CC[C@H]2CCCC[C@H]2C1 252373684 344894505 /nfs/dbraw/zinc/89/45/05/344894505.db2.gz UQBQGSWIRRTCSB-ZJUUUORDSA-N 2 0 195.310 1.434 10 0 ADAERP CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C 252388538 344894640 /nfs/dbraw/zinc/89/46/40/344894640.db2.gz FDBQMCCLMAPZFJ-OUAUKWLOSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H]1CCC[N@H+]1[C@H](C)CC(N)=[NH2+] 252413186 344895090 /nfs/dbraw/zinc/89/50/90/344895090.db2.gz BZEOSCQZJFRUSA-HTQZYQBOSA-N 2 0 169.272 1.185 10 0 ADAERP C[C@@H](C[N@@H+]1CCCC[C@H]1C)C(N)=[NH2+] 252433761 344895831 /nfs/dbraw/zinc/89/58/31/344895831.db2.gz CTAVAJXXSICZLU-DTWKUNHWSA-N 2 0 183.299 1.433 10 0 ADAERP C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)C(N)=[NH2+] 252434030 344895958 /nfs/dbraw/zinc/89/59/58/344895958.db2.gz GMJIOTNQPHHBKG-OPRDCNLKSA-N 2 0 197.326 1.821 10 0 ADAERP C[C@@H]1C[C@@H](C)C[NH+]([C@H](C)CC(N)=[NH2+])C1 252438718 344896289 /nfs/dbraw/zinc/89/62/89/344896289.db2.gz FUCGTNABPGOTJF-OPRDCNLKSA-N 2 0 197.326 1.679 10 0 ADAERP C[C@@H]1CCCC[N@H+]1[C@H](C)CC(N)=[NH2+] 252438795 344896404 /nfs/dbraw/zinc/89/64/04/344896404.db2.gz GOMUWDBJDQYNTC-RKDXNWHRSA-N 2 0 183.299 1.575 10 0 ADAERP C[C@@H](CC(N)=[NH2+])[NH+]1C[C@H](C)C[C@@H](C)C1 252438717 344896565 /nfs/dbraw/zinc/89/65/65/344896565.db2.gz FUCGTNABPGOTJF-BBBLOLIVSA-N 2 0 197.326 1.679 10 0 ADAERP CC[N@H+](C)C[C@@H]1CCCCC[C@H]1[NH3+] 252458166 344898191 /nfs/dbraw/zinc/89/81/91/344898191.db2.gz OKWYRZGIHZESHZ-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CC[C@H]1c1nccn1C 252469822 344898806 /nfs/dbraw/zinc/89/88/06/344898806.db2.gz YFCJFZSYPCDGSX-DJLDLDEBSA-N 2 0 179.267 1.261 10 0 ADAERP C[C@H]1C[C@@H](C)C[C@@H]([NH3+])[C@@H]1C[NH+](C)C 252471560 344899018 /nfs/dbraw/zinc/89/90/18/344899018.db2.gz JOEPMOLZCUTZJX-LMLFDSFASA-N 2 0 184.327 1.558 10 0 ADAERP C[C@H]1C[C@@H](C)C[C@H]([NH3+])[C@H]1C[NH+](C)C 252471561 344899077 /nfs/dbraw/zinc/89/90/77/344899077.db2.gz JOEPMOLZCUTZJX-RCWTZXSCSA-N 2 0 184.327 1.558 10 0 ADAERP C/C=C/C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252551950 344901132 /nfs/dbraw/zinc/90/11/32/344901132.db2.gz BXBOAZJUTLHBQE-DYSSWMIWSA-N 2 0 180.295 1.102 10 0 ADAERP CC(C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252557904 344901600 /nfs/dbraw/zinc/90/16/00/344901600.db2.gz NZIMZHQTSIVHMO-DCAQKATOSA-N 2 0 182.311 1.182 10 0 ADAERP CC(C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252557905 344901615 /nfs/dbraw/zinc/90/16/15/344901615.db2.gz NZIMZHQTSIVHMO-OUAUKWLOSA-N 2 0 182.311 1.182 10 0 ADAERP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1C1CCC1 252561302 344901681 /nfs/dbraw/zinc/90/16/81/344901681.db2.gz VFOCPMPLHZVXNI-YWVKMMECSA-N 2 0 180.295 1.079 10 0 ADAERP CC(C)=CC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252551977 344901896 /nfs/dbraw/zinc/90/18/96/344901896.db2.gz CBUUNHSKEFHPIN-WOPDTQHZSA-N 2 0 194.322 1.492 10 0 ADAERP CC(C)=CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252551975 344901857 /nfs/dbraw/zinc/90/18/57/344901857.db2.gz CBUUNHSKEFHPIN-GRYCIOLGSA-N 2 0 194.322 1.492 10 0 ADAERP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@@H+]1C1CCC1 252561301 344901918 /nfs/dbraw/zinc/90/19/18/344901918.db2.gz VFOCPMPLHZVXNI-WCABBAIRSA-N 2 0 180.295 1.079 10 0 ADAERP CC(C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252557907 344901935 /nfs/dbraw/zinc/90/19/35/344901935.db2.gz NZIMZHQTSIVHMO-VWYCJHECSA-N 2 0 182.311 1.182 10 0 ADAERP CC(C)=CC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252551976 344901939 /nfs/dbraw/zinc/90/19/39/344901939.db2.gz CBUUNHSKEFHPIN-SRVKXCTJSA-N 2 0 194.322 1.492 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1CCC[C@@H]1C 252590083 344903518 /nfs/dbraw/zinc/90/35/18/344903518.db2.gz CMNBESSRBWUUNK-DCAQKATOSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@H+]1C(C)(C)C 252593979 344903561 /nfs/dbraw/zinc/90/35/61/344903561.db2.gz GFQQCCUBTRKKRL-LPEHRKFASA-N 2 0 184.327 1.843 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 252592533 344903578 /nfs/dbraw/zinc/90/35/78/344903578.db2.gz FGBRNGCZUSGASI-BBBLOLIVSA-N 2 0 170.300 1.325 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CCC[C@@H]1C 252590084 344903630 /nfs/dbraw/zinc/90/36/30/344903630.db2.gz CMNBESSRBWUUNK-GARJFASQSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)[C@H]1C 252594553 344903639 /nfs/dbraw/zinc/90/36/39/344903639.db2.gz GQUINWVHTBVPRL-IVZWLZJFSA-N 2 0 170.300 1.452 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1CCC[C@H]1C 252590086 344903672 /nfs/dbraw/zinc/90/36/72/344903672.db2.gz CMNBESSRBWUUNK-VWYCJHECSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CCC[C@H]1C 252590085 344903699 /nfs/dbraw/zinc/90/36/99/344903699.db2.gz CMNBESSRBWUUNK-OUAUKWLOSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)[C@H]1C 252592532 344903776 /nfs/dbraw/zinc/90/37/76/344903776.db2.gz FGBRNGCZUSGASI-AEJSXWLSSA-N 2 0 170.300 1.325 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H](C)[C@H]1C 252594777 344903794 /nfs/dbraw/zinc/90/37/94/344903794.db2.gz GWVWMGALMGOKML-GMTAPVOTSA-N 2 0 184.327 1.713 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H](C)[C@@H]1C 252594778 344903809 /nfs/dbraw/zinc/90/38/09/344903809.db2.gz GWVWMGALMGOKML-HBNTYKKESA-N 2 0 184.327 1.713 10 0 ADAERP CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)[C@H]1C 252591138 344903852 /nfs/dbraw/zinc/90/38/52/344903852.db2.gz DIYGWMGIQMAXRG-OPRDCNLKSA-N 2 0 170.300 1.325 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252605235 344903970 /nfs/dbraw/zinc/90/39/70/344903970.db2.gz 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/nfs/dbraw/zinc/90/47/38/344904738.db2.gz SCGMQQBFHGUDAM-QJPTWQEYSA-N 2 0 198.354 1.961 10 0 ADAERP C[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@H](C)[C@H]1C 252608271 344904788 /nfs/dbraw/zinc/90/47/88/344904788.db2.gz SCGMQQBFHGUDAM-IJLUTSLNSA-N 2 0 198.354 1.961 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252609444 344904802 /nfs/dbraw/zinc/90/48/02/344904802.db2.gz TXBVJMQYSIGRPT-BBBLOLIVSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252609443 344904842 /nfs/dbraw/zinc/90/48/42/344904842.db2.gz TXBVJMQYSIGRPT-AEJSXWLSSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)[C@H]1C 252608655 344904895 /nfs/dbraw/zinc/90/48/95/344904895.db2.gz SJXNJRFQPIPACH-GMTAPVOTSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@@H+]1C1CC1 252611410 344904929 /nfs/dbraw/zinc/90/49/29/344904929.db2.gz VMPFADNXQSRGED-OYNCUSHFSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]([C@H](C)C[NH3+])[N@@H+]1CCCC[C@H]1C 252609446 344905017 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/nfs/dbraw/zinc/90/59/62/344905962.db2.gz NGAQRROZNGLSJW-MXWKQRLJSA-N 2 0 180.295 1.232 10 0 ADAERP C[C@@H]1CCC[N@@H+]1C[C@@H]1C=C[C@H]([NH3+])C1 252646673 344906245 /nfs/dbraw/zinc/90/62/45/344906245.db2.gz SFIBHYIGKFYZAK-MXWKQRLJSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@H]1[C@H](C)CCC[N@@H+]1C/C=C\C[NH3+] 252675136 344907683 /nfs/dbraw/zinc/90/76/83/344907683.db2.gz XGCBBLNVKFEMPC-CJOPTALJSA-N 2 0 182.311 1.622 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 252682475 344907697 /nfs/dbraw/zinc/90/76/97/344907697.db2.gz CCRXKIRSQVVNEL-OKWQPMOJSA-N 2 0 168.284 1.374 10 0 ADAERP C[C@H]1[C@H](C)CCC[N@@H+]1C/C=C/C[NH3+] 252675137 344907787 /nfs/dbraw/zinc/90/77/87/344907787.db2.gz XGCBBLNVKFEMPC-YHROSDCASA-N 2 0 182.311 1.622 10 0 ADAERP C/C=C/C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 252682474 344907869 /nfs/dbraw/zinc/90/78/69/344907869.db2.gz CCRXKIRSQVVNEL-HIHHVFROSA-N 2 0 168.284 1.374 10 0 ADAERP C[C@H]1CC[N@@H+]1[C@](C)(C[NH3+])C1CC1 252691344 344908916 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/nfs/dbraw/zinc/91/00/89/344910089.db2.gz APOQNLVRAKYUKQ-OUAUKWLOSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CC[C@H](C)C2)C1 252717148 344910213 /nfs/dbraw/zinc/91/02/13/344910213.db2.gz APOQNLVRAKYUKQ-GARJFASQSA-N 2 0 182.311 1.326 10 0 ADAERP [NH3+][C@@H]1CCC[C@@](F)([C@H]2CCC[NH2+]2)C1 252736864 344911072 /nfs/dbraw/zinc/91/10/72/344911072.db2.gz AJCSKBTYBSCQEV-BBBLOLIVSA-N 2 0 186.274 1.348 10 0 ADAERP [NH3+][C@@H]1CCC[C@](F)([C@H]2CCC[NH2+]2)C1 252736865 344911305 /nfs/dbraw/zinc/91/13/05/344911305.db2.gz AJCSKBTYBSCQEV-OPRDCNLKSA-N 2 0 186.274 1.348 10 0 ADAERP [NH3+][C@@H]1CC[C@@](F)([C@H]2CCCC[NH2+]2)C1 252745673 344911711 /nfs/dbraw/zinc/91/17/11/344911711.db2.gz VELIJCIPKDXQPJ-BBBLOLIVSA-N 2 0 186.274 1.348 10 0 ADAERP F[C@H]([C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 252742682 344911743 /nfs/dbraw/zinc/91/17/43/344911743.db2.gz NOUUNRJGMMGVEH-IVZWLZJFSA-N 2 0 186.274 1.076 10 0 ADAERP [NH3+][C@@H]1CC[C@](F)([C@H]2CCCC[NH2+]2)C1 252745675 344911849 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CCN1[C@H](C[NH3+])CC[C@@H]2CCCC[C@@H]21 306495458 345368793 /nfs/dbraw/zinc/36/87/93/345368793.db2.gz VOYYBWXSDQZMSE-SRVKXCTJSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+]C1(CN2CC=CC2)CCCC1 306495441 345368965 /nfs/dbraw/zinc/36/89/65/345368965.db2.gz VMTCABDZHBSHRT-UHFFFAOYSA-N 2 0 180.295 1.390 10 0 ADAERP CCN1[C@H](C[NH3+])CC[C@@H]2CCCC[C@H]21 306495457 345369055 /nfs/dbraw/zinc/36/90/55/345369055.db2.gz VOYYBWXSDQZMSE-SDDRHHMPSA-N 2 0 196.338 1.988 10 0 ADAERP CCN1[C@H](C[NH3+])CC[C@H]2CCCC[C@@H]21 306495459 345369082 /nfs/dbraw/zinc/36/90/82/345369082.db2.gz VOYYBWXSDQZMSE-WOPDTQHZSA-N 2 0 196.338 1.988 10 0 ADAERP CCN1[C@H](C[NH3+])CC[C@H]2CCCC[C@H]21 306495456 345369212 /nfs/dbraw/zinc/36/92/12/345369212.db2.gz VOYYBWXSDQZMSE-GRYCIOLGSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CC2CCC1CC2 306497008 345371065 /nfs/dbraw/zinc/37/10/65/345371065.db2.gz ZFNSIGSUZRWVPH-JYBOHDQNSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H](C[N@@H+]1CC2CCC1CC2)[C@@H](C)[NH3+] 306497006 345371142 /nfs/dbraw/zinc/37/11/42/345371142.db2.gz ZFNSIGSUZRWVPH-DMOGRIERSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]([NH3+])[C@H](C)C[N@@H+]1CC2CCC1CC2 306497010 345371194 /nfs/dbraw/zinc/37/11/94/345371194.db2.gz ZFNSIGSUZRWVPH-QYNFOATHSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@H]([NH3+])[C@H](C)C[N@@H+]1CC2CCC1CC2 306497009 345371273 /nfs/dbraw/zinc/37/12/73/345371273.db2.gz ZFNSIGSUZRWVPH-QKEWWQLBSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]([NH3+])C1 306500804 345374535 /nfs/dbraw/zinc/37/45/35/345374535.db2.gz YWLVVCJOZOFFJK-KYXWUPHJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H]([NH3+])C1 306500802 345374648 /nfs/dbraw/zinc/37/46/48/345374648.db2.gz YWLVVCJOZOFFJK-IMSYWVGJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H]([NH3+])C1 306500803 345374813 /nfs/dbraw/zinc/37/48/13/345374813.db2.gz YWLVVCJOZOFFJK-KATARQTJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H]2CCC[C@@H]21 306506246 345379518 /nfs/dbraw/zinc/37/95/18/345379518.db2.gz GRMBMZLHIKGMHD-MMWGEVLESA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H]2CCC[C@H]21 306506249 345379785 /nfs/dbraw/zinc/37/97/85/345379785.db2.gz GRMBMZLHIKGMHD-XWLWVQCSSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H]2CCC[C@H]21 306506248 345379841 /nfs/dbraw/zinc/37/98/41/345379841.db2.gz GRMBMZLHIKGMHD-UKKRHICBSA-N 2 0 182.311 1.597 10 0 ADAERP [NH3+][C@H]1CCN(CC2(C(F)F)CC2)C1 306508472 345381059 /nfs/dbraw/zinc/38/10/59/345381059.db2.gz AXSVRJUHANUBSQ-ZETCQYMHSA-N 2 0 190.237 1.065 10 0 ADAERP [NH3+]C1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)CC1 306509323 345381524 /nfs/dbraw/zinc/38/15/24/345381524.db2.gz BLVVYQGVHYGDJL-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C1(C[N@@H+]2CC[C@H]3CCC[C@H]32)CC1 306509321 345381601 /nfs/dbraw/zinc/38/16/01/345381601.db2.gz BLVVYQGVHYGDJL-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 306509322 345381646 /nfs/dbraw/zinc/38/16/46/345381646.db2.gz BLVVYQGVHYGDJL-UWVGGRQHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)CC1 306509324 345381749 /nfs/dbraw/zinc/38/17/49/345381749.db2.gz BLVVYQGVHYGDJL-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP C[C@@H]([NH3+])C[NH+]1C[C@H]2CC=CC[C@@H]2C1 306511390 345382590 /nfs/dbraw/zinc/38/25/90/345382590.db2.gz MUBHXLIAWXXFKS-GMTAPVOTSA-N 2 0 180.295 1.232 10 0 ADAERP C[C@@H]([NH3+])C[NH+]1C[C@@H]2CC=CC[C@H]2C1 306511392 345383492 /nfs/dbraw/zinc/38/34/92/345383492.db2.gz MUBHXLIAWXXFKS-VWYCJHECSA-N 2 0 180.295 1.232 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1[C@H]2CCCC[C@H]21 306515683 345386901 /nfs/dbraw/zinc/38/69/01/345386901.db2.gz FEWSVNDLSXWPEF-LADJIXMOSA-N 2 0 182.311 1.500 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1[C@H]2CCCC[C@H]21 306515684 345386941 /nfs/dbraw/zinc/38/69/41/345386941.db2.gz FEWSVNDLSXWPEF-OGBGREFGSA-N 2 0 182.311 1.500 10 0 ADAERP CC1CC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1 306517168 345387876 /nfs/dbraw/zinc/38/78/76/345387876.db2.gz HOFGPSJPRBOCLK-QONHTCSSSA-N 2 0 182.311 1.373 10 0 ADAERP CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 306516915 345388017 /nfs/dbraw/zinc/38/80/17/345388017.db2.gz ZOQMXUTVNJAYEF-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP CC1CC([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1 306517172 345388032 /nfs/dbraw/zinc/38/80/32/345388032.db2.gz HOFGPSJPRBOCLK-YIYTYNFBSA-N 2 0 182.311 1.373 10 0 ADAERP CC1CC([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 306517167 345388116 /nfs/dbraw/zinc/38/81/16/345388116.db2.gz HOFGPSJPRBOCLK-DJRKXVOMSA-N 2 0 182.311 1.373 10 0 ADAERP CCCC[N@@H+]1CC[C@H]([NH3+])[C@H]1C 306516913 345388126 /nfs/dbraw/zinc/38/81/26/345388126.db2.gz ZOQMXUTVNJAYEF-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP CC1CC([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C1 306517170 345388170 /nfs/dbraw/zinc/38/81/70/345388170.db2.gz HOFGPSJPRBOCLK-VGRIYTJTSA-N 2 0 182.311 1.373 10 0 ADAERP CCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 306516965 345388186 /nfs/dbraw/zinc/38/81/86/345388186.db2.gz ZOQMXUTVNJAYEF-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP CCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 306516914 345388235 /nfs/dbraw/zinc/38/82/35/345388235.db2.gz ZOQMXUTVNJAYEF-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP [NH3+]C1CC([NH2+][C@H]2CCC(F)(F)C2)C1 306517912 345389262 /nfs/dbraw/zinc/38/92/62/345389262.db2.gz CONVVZNNZYBXKJ-WTIBDHCWSA-N 2 0 190.237 1.254 10 0 ADAERP [NH3+]C1CC([NH2+][C@@H]2CCC(F)(F)C2)C1 306517913 345389315 /nfs/dbraw/zinc/38/93/15/345389315.db2.gz CONVVZNNZYBXKJ-ZUEIMRROSA-N 2 0 190.237 1.254 10 0 ADAERP [NH3+]C[C@H]1CCCC[C@H]1C[NH+]1CCC1 306520530 345391812 /nfs/dbraw/zinc/39/18/12/345391812.db2.gz DUNCAFVJBZRQSN-MNOVXSKESA-N 2 0 182.311 1.457 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@@H]1C[NH+]1CCC1 306520533 345391996 /nfs/dbraw/zinc/39/19/96/345391996.db2.gz DUNCAFVJBZRQSN-WDEREUQCSA-N 2 0 182.311 1.457 10 0 ADAERP [NH3+]C[C@@H]1CCCC[C@H]1C[NH+]1CCC1 306520531 345392021 /nfs/dbraw/zinc/39/20/21/345392021.db2.gz DUNCAFVJBZRQSN-QWRGUYRKSA-N 2 0 182.311 1.457 10 0 ADAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 306571635 345449242 /nfs/dbraw/zinc/44/92/42/345449242.db2.gz GCIHSTZORQOCOV-IUCAKERBSA-N 2 0 156.273 1.125 10 0 ADAERP [NH3+]C1CC([NH+]2CCC3(CCC3)CC2)C1 306529624 345400976 /nfs/dbraw/zinc/40/09/76/345400976.db2.gz CNQUJFUWZSSYJR-UHFFFAOYSA-N 2 0 194.322 1.742 10 0 ADAERP Cc1cc(N(C)C[C@H](C)[NH3+])cc(C)[nH+]1 306530440 345402184 /nfs/dbraw/zinc/40/21/84/345402184.db2.gz DMKFZFDUPHDQEJ-QMMMGPOBSA-N 2 0 193.294 1.482 10 0 ADAERP [NH3+]C[C@H]1CC[C@H]([NH+]2CC3(CC3)C2)C1 306532685 345404437 /nfs/dbraw/zinc/40/44/37/345404437.db2.gz CAPCZJWEKLUDLB-UWVGGRQHSA-N 2 0 180.295 1.210 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C1 306532684 345404572 /nfs/dbraw/zinc/40/45/72/345404572.db2.gz CAPCZJWEKLUDLB-NXEZZACHSA-N 2 0 180.295 1.210 10 0 ADAERP [NH3+]C[C@@H]1CC[C@H]([NH+]2CC3(CC3)C2)C1 306532687 345404657 /nfs/dbraw/zinc/40/46/57/345404657.db2.gz CAPCZJWEKLUDLB-ZJUUUORDSA-N 2 0 180.295 1.210 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C1 306532686 345404815 /nfs/dbraw/zinc/40/48/15/345404815.db2.gz CAPCZJWEKLUDLB-VHSXEESVSA-N 2 0 180.295 1.210 10 0 ADAERP C[C@H]1C[N@H+](CC2(C[NH3+])CC2)C(C)(C)C1 306533076 345405178 /nfs/dbraw/zinc/40/51/78/345405178.db2.gz CHSPWJFUTREWGI-SNVBAGLBSA-N 2 0 196.338 1.846 10 0 ADAERP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C(C)(C)C1 306533075 345405258 /nfs/dbraw/zinc/40/52/58/345405258.db2.gz CHSPWJFUTREWGI-JTQLQIEISA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 306533667 345406404 /nfs/dbraw/zinc/40/64/04/345406404.db2.gz NSEBRDRZBWKUPD-VHSXEESVSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[NH2+]C1 306533666 345406513 /nfs/dbraw/zinc/40/65/13/345406513.db2.gz NSEBRDRZBWKUPD-UWVGGRQHSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]C1 306533668 345406610 /nfs/dbraw/zinc/40/66/10/345406610.db2.gz NSEBRDRZBWKUPD-ZJUUUORDSA-N 2 0 182.311 1.374 10 0 ADAERP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 306533665 345406628 /nfs/dbraw/zinc/40/66/28/345406628.db2.gz NSEBRDRZBWKUPD-NXEZZACHSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H]1[C@H](C)CCN1[C@@H]1C[NH2+][C@H](C)C1 306534530 345406931 /nfs/dbraw/zinc/40/69/31/345406931.db2.gz FBGBXSHBYOODHM-ZNSHCXBVSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@H]1CCN([C@@H]2C[NH2+][C@H](C)C2)[C@H]1C 306534528 345406988 /nfs/dbraw/zinc/40/69/88/345406988.db2.gz FBGBXSHBYOODHM-VLEAKVRGSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@H]1CCN([C@@H]2C[NH2+][C@H](C)C2)[C@@H]1C 306534529 345407134 /nfs/dbraw/zinc/40/71/34/345407134.db2.gz FBGBXSHBYOODHM-ZDCRXTMVSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1C[C@H](N2CC[C@@H](C)[C@H]2C)C[NH2+]1 306534527 345407169 /nfs/dbraw/zinc/40/71/69/345407169.db2.gz FBGBXSHBYOODHM-DBIOUOCHSA-N 2 0 182.311 1.467 10 0 ADAERP CC(C)[NH2+][C@]1(CN)CCC1(C)C 306534648 345407541 /nfs/dbraw/zinc/40/75/41/345407541.db2.gz OIAIQYYECCLIEX-JTQLQIEISA-N 2 0 170.300 1.502 10 0 ADAERP CC(C)[NH2+][C@@]1(CN)CCC1(C)C 306534649 345407666 /nfs/dbraw/zinc/40/76/66/345407666.db2.gz OIAIQYYECCLIEX-SNVBAGLBSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H]1C[N@H+](CCC2C[NH2+]C2)C(C)(C)C1 306535490 345408453 /nfs/dbraw/zinc/40/84/53/345408453.db2.gz GIZIBYAOQPVGFD-SNVBAGLBSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[N@H+](CCC2C[NH2+]C2)C(C)(C)C1 306535489 345408519 /nfs/dbraw/zinc/40/85/19/345408519.db2.gz GIZIBYAOQPVGFD-JTQLQIEISA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H](C(N)=[NH2+])N1CCC2(CCC2)C1 306536751 345409520 /nfs/dbraw/zinc/40/95/20/345409520.db2.gz HRMLBYHANNWFOT-MRVPVSSYSA-N 2 0 181.283 1.187 10 0 ADAERP C[C@@H](C(N)=[NH2+])N1CCC2(CCC2)C1 306536752 345409647 /nfs/dbraw/zinc/40/96/47/345409647.db2.gz HRMLBYHANNWFOT-QMMMGPOBSA-N 2 0 181.283 1.187 10 0 ADAERP C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1C[NH2+]C1 306536935 345410172 /nfs/dbraw/zinc/41/01/72/345410172.db2.gz IEGKCZVEAFOFDD-PHIMTYICSA-N 2 0 180.295 1.223 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH+]2CC3(CCC3)C2)C1 306537347 345410513 /nfs/dbraw/zinc/41/05/13/345410513.db2.gz IHHQRCVXORJNAT-MNOVXSKESA-N 2 0 194.322 1.742 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH+]2CC3(CCC3)C2)C1 306537346 345410607 /nfs/dbraw/zinc/41/06/07/345410607.db2.gz IHHQRCVXORJNAT-GHMZBOCLSA-N 2 0 194.322 1.742 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH+]2CC3(CCC3)C2)C1 306537349 345410675 /nfs/dbraw/zinc/41/06/75/345410675.db2.gz IHHQRCVXORJNAT-WDEREUQCSA-N 2 0 194.322 1.742 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH+]2CC3(CCC3)C2)C1 306537348 345410707 /nfs/dbraw/zinc/41/07/07/345410707.db2.gz IHHQRCVXORJNAT-QWRGUYRKSA-N 2 0 194.322 1.742 10 0 ADAERP CC[C@@H](CN)[N@@H+]1CCC2(CCCC2)C1 306538334 345412015 /nfs/dbraw/zinc/41/20/15/345412015.db2.gz MBKPYJOZMCEEFV-NSHDSACASA-N 2 0 196.338 1.990 10 0 ADAERP CC[C@H](CN)[N@@H+]1CCC2(CCCC2)C1 306538333 345412111 /nfs/dbraw/zinc/41/21/11/345412111.db2.gz MBKPYJOZMCEEFV-LLVKDONJSA-N 2 0 196.338 1.990 10 0 ADAERP Cc1cc(N2CCC2)cc(CN)[nH+]1 306538717 345412250 /nfs/dbraw/zinc/41/22/50/345412250.db2.gz PISNCCHDSWBINN-UHFFFAOYSA-N 2 0 177.251 1.059 10 0 ADAERP Cc1cc(O[C@H]2CC[NH2+]C2)cc(C)[nH+]1 306542765 345416669 /nfs/dbraw/zinc/41/66/69/345416669.db2.gz RHCZAIXGVFJUNX-JTQLQIEISA-N 2 0 192.262 1.439 10 0 ADAERP Cc1cc(O[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 306542767 345416783 /nfs/dbraw/zinc/41/67/83/345416783.db2.gz RHCZAIXGVFJUNX-SNVBAGLBSA-N 2 0 192.262 1.439 10 0 ADAERP CCC1C[NH+]([C@H]2CC[C@H]([NH3+])CC2)C1 306543511 345417881 /nfs/dbraw/zinc/41/78/81/345417881.db2.gz WPUHYBOEVHZRPX-XYPYZODXSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 306545071 345419232 /nfs/dbraw/zinc/41/92/32/345419232.db2.gz AMMCGJSFEICSND-KXUCPTDWSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC[N@@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 306545076 345419249 /nfs/dbraw/zinc/41/92/49/345419249.db2.gz AMMCGJSFEICSND-OPRDCNLKSA-N 2 0 168.284 1.208 10 0 ADAERP [NH3+]C/C=C/C[N@@H+]1CCC2(CCCC2)C1 306545224 345419335 /nfs/dbraw/zinc/41/93/35/345419335.db2.gz VPVVAYMLJFXCHO-ONEGZZNKSA-N 2 0 194.322 1.767 10 0 ADAERP C[C@@H]1CC[N@@H+]1C[C@H]1CC[C@H]([NH3+])C1 306545082 345419349 /nfs/dbraw/zinc/41/93/49/345419349.db2.gz AMMCGJSFEICSND-UTLUCORTSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 306545067 345419382 /nfs/dbraw/zinc/41/93/82/345419382.db2.gz AMMCGJSFEICSND-BBBLOLIVSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC1CCCC1 306546172 345420267 /nfs/dbraw/zinc/42/02/67/345420267.db2.gz BISDDSHZWVVOMZ-JQWIXIFHSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CCCC1 306546165 345420322 /nfs/dbraw/zinc/42/03/22/345420322.db2.gz BISDDSHZWVVOMZ-CMPLNLGQSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CCC1CCCC1 306546177 345420427 /nfs/dbraw/zinc/42/04/27/345420427.db2.gz BISDDSHZWVVOMZ-PWSUYJOCSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CCCC1 306546179 345420612 /nfs/dbraw/zinc/42/06/12/345420612.db2.gz BISDDSHZWVVOMZ-ZYHUDNBSSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H](C)[NH+]1CC2=C(C[NH2+]C2)C1 306548121 345422832 /nfs/dbraw/zinc/42/28/32/345422832.db2.gz NVJOTLWCWVKMBS-MRVPVSSYSA-N 2 0 166.268 1.000 10 0 ADAERP CC[C@H](C)[NH+]1CC2=C(C[NH2+]C2)C1 306548123 345422904 /nfs/dbraw/zinc/42/29/04/345422904.db2.gz NVJOTLWCWVKMBS-QMMMGPOBSA-N 2 0 166.268 1.000 10 0 ADAERP CC1(C)[C@H]2C[N@@H+](C(C)(C)C[NH3+])C[C@H]21 306548700 345423486 /nfs/dbraw/zinc/42/34/86/345423486.db2.gz DBBZZNHUQJXOLS-DTORHVGOSA-N 2 0 182.311 1.312 10 0 ADAERP CC[N@H+](C)C[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 306553546 345428913 /nfs/dbraw/zinc/42/89/13/345428913.db2.gz BQRZCCOGJOVLDK-IJLUTSLNSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[N@H+](C)CC[C@@H]1[C@@H]1CC[NH2+]C1 306553735 345428949 /nfs/dbraw/zinc/42/89/49/345428949.db2.gz GSPXMBVYYOJUJD-MXWKQRLJSA-N 2 0 182.311 1.184 10 0 ADAERP C[C@@H]1C[N@H+](C)CC[C@@H]1[C@H]1CC[NH2+]C1 306553737 345428960 /nfs/dbraw/zinc/42/89/60/345428960.db2.gz GSPXMBVYYOJUJD-VWYCJHECSA-N 2 0 182.311 1.184 10 0 ADAERP CC[N@H+](C)C[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 306553543 345429071 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306708826 345562458 /nfs/dbraw/zinc/56/24/58/345562458.db2.gz PDQBWSBCWQXCJI-GHMZBOCLSA-N 2 0 180.295 1.376 10 0 ADAERP C1CC1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306710595 345563479 /nfs/dbraw/zinc/56/34/79/345563479.db2.gz QZNYJKGTAZWOJY-NWDGAFQWSA-N 2 0 194.322 1.328 10 0 ADAERP C1CC1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306710594 345563576 /nfs/dbraw/zinc/56/35/76/345563576.db2.gz QZNYJKGTAZWOJY-NEPJUHHUSA-N 2 0 194.322 1.328 10 0 ADAERP CCC1([N@@H+]2CCC[C@H]([NH3+])C2)CC1 306710994 345564111 /nfs/dbraw/zinc/56/41/11/345564111.db2.gz WXVUAFBXADHWOD-VIFPVBQESA-N 2 0 168.284 1.352 10 0 ADAERP CCC1([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 306710993 345564323 /nfs/dbraw/zinc/56/43/23/345564323.db2.gz WXVUAFBXADHWOD-SECBINFHSA-N 2 0 168.284 1.352 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1cccnc1Cl 306712901 345565827 /nfs/dbraw/zinc/56/58/27/345565827.db2.gz ADTQLBHNJOJUOU-ZETCQYMHSA-N 2 0 185.658 1.084 10 0 ADAERP CN1CCC[C@@H]1C[NH2+]C1(C)CCC1 306715845 345568179 /nfs/dbraw/zinc/56/81/79/345568179.db2.gz FPLLAWMIQDGOKV-SNVBAGLBSA-N 2 0 182.311 1.613 10 0 ADAERP CC(C)[NH2+][C@H]1CC12CC[NH2+]CC2 306716608 345568569 /nfs/dbraw/zinc/56/85/69/345568569.db2.gz GAKBPJZNJOKLLE-VIFPVBQESA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH+]2CC=CC2)C1 306716555 345568599 /nfs/dbraw/zinc/56/85/99/345568599.db2.gz FYVVTPGSBLFMPE-UWVGGRQHSA-N 2 0 166.268 1.128 10 0 ADAERP CC(C)[NH2+][C@@H]1CC12CC[NH2+]CC2 306716606 345568687 /nfs/dbraw/zinc/56/86/87/345568687.db2.gz GAKBPJZNJOKLLE-SECBINFHSA-N 2 0 168.284 1.127 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]([NH+]2CC=CC2)C1 306716557 345568690 /nfs/dbraw/zinc/56/86/90/345568690.db2.gz FYVVTPGSBLFMPE-VHSXEESVSA-N 2 0 166.268 1.128 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH+]2CC=CC2)C1 306716554 345568742 /nfs/dbraw/zinc/56/87/42/345568742.db2.gz FYVVTPGSBLFMPE-NXEZZACHSA-N 2 0 166.268 1.128 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH+]2CC=CC2)C1 306716559 345568921 /nfs/dbraw/zinc/56/89/21/345568921.db2.gz FYVVTPGSBLFMPE-ZJUUUORDSA-N 2 0 166.268 1.128 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CC1(C)C 306720633 345571954 /nfs/dbraw/zinc/57/19/54/345571954.db2.gz HIEVNEUSLNGMHW-OPRDCNLKSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC1(C)C 306720635 345572119 /nfs/dbraw/zinc/57/21/19/345572119.db2.gz HIEVNEUSLNGMHW-UTLUCORTSA-N 2 0 182.311 1.373 10 0 ADAERP CC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 306723565 345573748 /nfs/dbraw/zinc/57/37/48/345573748.db2.gz HGWHGJPIAGENQB-QWRGUYRKSA-N 2 0 194.322 1.328 10 0 ADAERP CC[C@H]([NH3+])C[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306723854 345573756 /nfs/dbraw/zinc/57/37/56/345573756.db2.gz HPEIOLIKONUSDD-TUAOUCFPSA-N 2 0 194.322 1.622 10 0 ADAERP CC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 306723564 345573930 /nfs/dbraw/zinc/57/39/30/345573930.db2.gz HGWHGJPIAGENQB-GHMZBOCLSA-N 2 0 194.322 1.328 10 0 ADAERP CC[C@H]([NH3+])C[NH+]1C[C@@H]2CC=CC[C@H]2C1 306723853 345574037 /nfs/dbraw/zinc/57/40/37/345574037.db2.gz HPEIOLIKONUSDD-SRVKXCTJSA-N 2 0 194.322 1.622 10 0 ADAERP CC[C@H]([NH3+])C[NH+]1C[C@H]2CC=CC[C@@H]2C1 306723855 345574044 /nfs/dbraw/zinc/57/40/44/345574044.db2.gz HPEIOLIKONUSDD-UTUOFQBUSA-N 2 0 194.322 1.622 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1C 306729904 345579219 /nfs/dbraw/zinc/57/92/19/345579219.db2.gz KVKKOBYWIRHCOJ-OOCWMUITSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1C 306729906 345579332 /nfs/dbraw/zinc/57/93/32/345579332.db2.gz KVKKOBYWIRHCOJ-ZIQFBCGOSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1C 306729903 345579352 /nfs/dbraw/zinc/57/93/52/345579352.db2.gz KVKKOBYWIRHCOJ-IIRVCBMXSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1C 306729905 345579369 /nfs/dbraw/zinc/57/93/69/345579369.db2.gz KVKKOBYWIRHCOJ-ROHXPCBUSA-N 2 0 196.338 1.890 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1ccc2[nH]ccc2c1 306736418 345583866 /nfs/dbraw/zinc/58/38/66/345583866.db2.gz QGALFAPGHGZVQC-SNVBAGLBSA-N 2 0 189.262 1.517 10 0 ADAERP C[NH+]1CC(CNc2cc[nH+]cc2)C1 306739747 345585636 /nfs/dbraw/zinc/58/56/36/345585636.db2.gz BDVVFLZANRBCIU-UHFFFAOYSA-N 2 0 177.251 1.055 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CC[NH3+])s1 306739850 345585657 /nfs/dbraw/zinc/58/56/57/345585657.db2.gz SPLLQEFQWZMXBZ-ZETCQYMHSA-N 2 0 170.281 1.405 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCCC1(C)C 306747436 345589528 /nfs/dbraw/zinc/58/95/28/345589528.db2.gz KNASYIDELFJREX-AEJSXWLSSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 306747438 345589542 /nfs/dbraw/zinc/58/95/42/345589542.db2.gz KNASYIDELFJREX-IVZWLZJFSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CC=CC1 306747876 345589635 /nfs/dbraw/zinc/58/96/35/345589635.db2.gz GFUAHOCPDWKINZ-GXSJLCMTSA-N 2 0 180.295 1.293 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CC=CC1 306747882 345589712 /nfs/dbraw/zinc/58/97/12/345589712.db2.gz GFUAHOCPDWKINZ-KOLCDFICSA-N 2 0 180.295 1.293 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCC1(C)C 306747437 345589744 /nfs/dbraw/zinc/58/97/44/345589744.db2.gz KNASYIDELFJREX-GUBZILKMSA-N 2 0 184.327 1.890 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CC=CC1 306747887 345589771 /nfs/dbraw/zinc/58/97/71/345589771.db2.gz GFUAHOCPDWKINZ-MWLCHTKSSA-N 2 0 180.295 1.293 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC1(C)C 306747440 345589862 /nfs/dbraw/zinc/58/98/62/345589862.db2.gz KNASYIDELFJREX-LPEHRKFASA-N 2 0 184.327 1.890 10 0 ADAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CC=CC1 306747896 345589884 /nfs/dbraw/zinc/58/98/84/345589884.db2.gz GFUAHOCPDWKINZ-ONGXEEELSA-N 2 0 180.295 1.293 10 0 ADAERP C[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])[C@H]1C 306850196 345656867 /nfs/dbraw/zinc/65/68/67/345656867.db2.gz OYMDRZAWKPWTPH-YIZRAAEISA-N 2 0 156.273 1.064 10 0 ADAERP [NH3+][C@H]1CC[C@H](CC[NH+]2CCCC2)C1 306756606 345593360 /nfs/dbraw/zinc/59/33/60/345593360.db2.gz RNHHQSZOXAXGMA-MNOVXSKESA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](CC[NH+]2CCCC2)C1 306756608 345593410 /nfs/dbraw/zinc/59/34/10/345593410.db2.gz RNHHQSZOXAXGMA-WDEREUQCSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccsc1 306756511 345593620 /nfs/dbraw/zinc/59/36/20/345593620.db2.gz MBCKRNMYKAWOFB-WPRPVWTQSA-N 2 0 196.319 1.670 10 0 ADAERP [NH3+][C@@H]1CC[C@H](CC[NH+]2CCCC2)C1 306756605 345593683 /nfs/dbraw/zinc/59/36/83/345593683.db2.gz RNHHQSZOXAXGMA-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+][C@H]1CC[C@@H](CC[NH+]2CCCC2)C1 306756607 345593733 /nfs/dbraw/zinc/59/37/33/345593733.db2.gz RNHHQSZOXAXGMA-QWRGUYRKSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@H]1[C@H]([NH3+])CCN1Cc1ccsc1 306756510 345593746 /nfs/dbraw/zinc/59/37/46/345593746.db2.gz MBCKRNMYKAWOFB-WCBMZHEXSA-N 2 0 196.319 1.670 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H](N)[C@H]1C 306758271 345594557 /nfs/dbraw/zinc/59/45/57/345594557.db2.gz UGQUOHYYKAWEJS-AXFHLTTASA-N 2 0 184.327 1.843 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 306758274 345594630 /nfs/dbraw/zinc/59/46/30/345594630.db2.gz UGQUOHYYKAWEJS-HBNTYKKESA-N 2 0 184.327 1.843 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H](N)[C@@H]1C 306758273 345594694 /nfs/dbraw/zinc/59/46/94/345594694.db2.gz UGQUOHYYKAWEJS-GARJFASQSA-N 2 0 184.327 1.843 10 0 ADAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H](N)[C@@H]1C 306758272 345594750 /nfs/dbraw/zinc/59/47/50/345594750.db2.gz UGQUOHYYKAWEJS-DCAQKATOSA-N 2 0 184.327 1.843 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CCC[NH2+][C@H]1C 306762336 345597789 /nfs/dbraw/zinc/59/77/89/345597789.db2.gz GYIHHOYVVLEUNU-WDEREUQCSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[N@H+](C)C[C@@H]1CCC[NH2+][C@H]1C 306762334 345597800 /nfs/dbraw/zinc/59/78/00/345597800.db2.gz GYIHHOYVVLEUNU-QWRGUYRKSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[N@H+](C)C[C@@H]1CCC[NH2+][C@@H]1C 306762333 345597849 /nfs/dbraw/zinc/59/78/49/345597849.db2.gz GYIHHOYVVLEUNU-MNOVXSKESA-N 2 0 184.327 1.715 10 0 ADAERP CC1=C(C)C[N@H+](CC2C[NH2+]C2)CC1 306762278 345597867 /nfs/dbraw/zinc/59/78/67/345597867.db2.gz DRJRLGHQUQEXSS-UHFFFAOYSA-N 2 0 180.295 1.248 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1CCC[NH2+][C@@H]1C 306762331 345598166 /nfs/dbraw/zinc/59/81/66/345598166.db2.gz GYIHHOYVVLEUNU-GHMZBOCLSA-N 2 0 184.327 1.715 10 0 ADAERP C[C@@H]1C[C@@H](C[NH+]2CC(C)(C)C2)CC[NH2+]1 306765677 345600379 /nfs/dbraw/zinc/60/03/79/345600379.db2.gz LQXMSGZXZUMPEJ-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]1C[C@@H](C[NH+]2CC(C)(C)C2)CC[NH2+]1 306765681 345600382 /nfs/dbraw/zinc/60/03/82/345600382.db2.gz LQXMSGZXZUMPEJ-QWRGUYRKSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[C@H](C[NH+]2CC(C)(C)C2)CC[NH2+]1 306765674 345600387 /nfs/dbraw/zinc/60/03/87/345600387.db2.gz LQXMSGZXZUMPEJ-GHMZBOCLSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@H]1C[N@@H+](C2CC(C)(C)C2)C[C@@H]1[NH3+] 306765940 345600405 /nfs/dbraw/zinc/60/04/05/345600405.db2.gz AHCPQYFPUMJZIO-WPRPVWTQSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1C[C@H](C[NH+]2CC(C)(C)C2)CC[NH2+]1 306765683 345600546 /nfs/dbraw/zinc/60/05/46/345600546.db2.gz LQXMSGZXZUMPEJ-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]1C[N@@H+](C2CC(C)(C)C2)C[C@H]1[NH3+] 306765932 345600600 /nfs/dbraw/zinc/60/06/00/345600600.db2.gz AHCPQYFPUMJZIO-PSASIEDQSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1C[N@@H+](C2CC(C)(C)C2)C[C@@H]1[NH3+] 306765935 345600719 /nfs/dbraw/zinc/60/07/19/345600719.db2.gz AHCPQYFPUMJZIO-SCZZXKLOSA-N 2 0 182.311 1.454 10 0 ADAERP CCC1(C)C[NH+]([C@H]2CC[C@H]([NH3+])C2)C1 306766453 345601140 /nfs/dbraw/zinc/60/11/40/345601140.db2.gz ODXSSPRTKRFDAV-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1(C)C[NH+]([C@@H]2CC[C@@H]([NH3+])C2)C1 306766446 345601147 /nfs/dbraw/zinc/60/11/47/345601147.db2.gz ODXSSPRTKRFDAV-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1(C)C[NH+]([C@H]2CC[C@@H]([NH3+])C2)C1 306766467 345601441 /nfs/dbraw/zinc/60/14/41/345601441.db2.gz ODXSSPRTKRFDAV-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1(C)C[NH+]([C@@H]2CC[C@H]([NH3+])C2)C1 306766460 345601448 /nfs/dbraw/zinc/60/14/48/345601448.db2.gz ODXSSPRTKRFDAV-VHSXEESVSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1C[NH+]([C@@H]2CCC[C@@H]([NH3+])C2)C1 306767455 345601617 /nfs/dbraw/zinc/60/16/17/345601617.db2.gz OYOXUJSQOJRRCL-GHMZBOCLSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1C[NH+]([C@H]2CCC[C@H]([NH3+])C2)C1 306767457 345601665 /nfs/dbraw/zinc/60/16/65/345601665.db2.gz OYOXUJSQOJRRCL-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1C[NH+]([C@H]2CCC[C@@H]([NH3+])C2)C1 306767456 345601772 /nfs/dbraw/zinc/60/17/72/345601772.db2.gz OYOXUJSQOJRRCL-MNOVXSKESA-N 2 0 182.311 1.598 10 0 ADAERP CCC1C[NH+]([C@@H]2CCC[C@H]([NH3+])C2)C1 306767458 345601950 /nfs/dbraw/zinc/60/19/50/345601950.db2.gz OYOXUJSQOJRRCL-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@]1(C)C[C@@H]1N1CC[C@@H]([NH3+])C1 306771480 345604480 /nfs/dbraw/zinc/60/44/80/345604480.db2.gz GNMVVOLKKQETTH-VWYCJHECSA-N 2 0 182.311 1.454 10 0 ADAERP CC(C)[C@]1(C)C[C@@H]1N1CC[C@H]([NH3+])C1 306771478 345604551 /nfs/dbraw/zinc/60/45/51/345604551.db2.gz GNMVVOLKKQETTH-DCAQKATOSA-N 2 0 182.311 1.454 10 0 ADAERP CC(C)[C@]1(C)C[C@H]1N1CC[C@@H]([NH3+])C1 306771479 345604588 /nfs/dbraw/zinc/60/45/88/345604588.db2.gz GNMVVOLKKQETTH-MXWKQRLJSA-N 2 0 182.311 1.454 10 0 ADAERP CC(C)[C@]1(C)C[C@H]1N1CC[C@H]([NH3+])C1 306771477 345604653 /nfs/dbraw/zinc/60/46/53/345604653.db2.gz GNMVVOLKKQETTH-AXFHLTTASA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1[N@@H+]1CCC2(CC2)C1 306773439 345605516 /nfs/dbraw/zinc/60/55/16/345605516.db2.gz ITUILGSDWNOTGR-UWVGGRQHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1[N@@H+]1CCC2(CC2)C1 306773441 345605667 /nfs/dbraw/zinc/60/56/67/345605667.db2.gz ITUILGSDWNOTGR-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CCC2(CC2)C1 306773442 345605857 /nfs/dbraw/zinc/60/58/57/345605857.db2.gz ITUILGSDWNOTGR-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP Cc1c[nH+]ccc1NCC1C[NH2+]C1 306778819 345608508 /nfs/dbraw/zinc/60/85/08/345608508.db2.gz PFZVPJXRWXKWIR-UHFFFAOYSA-N 2 0 177.251 1.021 10 0 ADAERP [NH3+]C1CC[NH+](CC2=CCCC2)CC1 306781575 345610429 /nfs/dbraw/zinc/61/04/29/345610429.db2.gz FHPKQKKZLQYRHN-UHFFFAOYSA-N 2 0 180.295 1.520 10 0 ADAERP C[C@H]([NH3+])C[NH+]1C[C@H]2CC=CC[C@@H]2C1 306784914 345612704 /nfs/dbraw/zinc/61/27/04/345612704.db2.gz MUBHXLIAWXXFKS-HBNTYKKESA-N 2 0 180.295 1.232 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1ccsc1 306787370 345614084 /nfs/dbraw/zinc/61/40/84/345614084.db2.gz VWTPSQDHVDDBRK-SSDOTTSWSA-N 2 0 156.254 1.097 10 0 ADAERP CC1(C)CC([NH2+]C2CC([NH3+])C2)C1 306787424 345614185 /nfs/dbraw/zinc/61/41/85/345614185.db2.gz QJDCXOSYWYUCJA-UHFFFAOYSA-N 2 0 168.284 1.254 10 0 ADAERP CC1=C(C)CN(CC2([NH3+])CC2)CC1 306791971 345618045 /nfs/dbraw/zinc/61/80/45/345618045.db2.gz ZPARVRMTVFPOIG-UHFFFAOYSA-N 2 0 180.295 1.520 10 0 ADAERP CC1(C)CC([NH+]2CCC([NH3+])CC2)C1 306792087 345618559 /nfs/dbraw/zinc/61/85/59/345618559.db2.gz ZXMYRVBCKSZJJU-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]cc1 306796577 345620931 /nfs/dbraw/zinc/62/09/31/345620931.db2.gz JQUFZJZTSBPRJZ-YUMQZZPRSA-N 2 0 165.240 1.229 10 0 ADAERP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]cc1 306796574 345620945 /nfs/dbraw/zinc/62/09/45/345620945.db2.gz JQUFZJZTSBPRJZ-HTQZYQBOSA-N 2 0 165.240 1.229 10 0 ADAERP C[C@H](Nc1cc[nH+]cc1)[C@@H](C)[NH3+] 306796576 345620984 /nfs/dbraw/zinc/62/09/84/345620984.db2.gz JQUFZJZTSBPRJZ-SFYZADRCSA-N 2 0 165.240 1.229 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)Nc1cc[nH+]cc1 306796575 345621014 /nfs/dbraw/zinc/62/10/14/345621014.db2.gz JQUFZJZTSBPRJZ-JGVFFNPUSA-N 2 0 165.240 1.229 10 0 ADAERP Cc1ccc(F)cc1[C@H]([NH3+])CC[NH3+] 306798421 345622238 /nfs/dbraw/zinc/62/22/38/345622238.db2.gz CIYJSULUUNLZML-SNVBAGLBSA-N 2 0 182.242 1.483 10 0 ADAERP C[C@@H]1C[C@H](C[NH+]2CC=CC2)CC[NH2+]1 306803898 345624988 /nfs/dbraw/zinc/62/49/88/345624988.db2.gz WPRCAAHMLCNDDZ-GHMZBOCLSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@H]1C[C@@H](C[NH+]2CC=CC2)CC[NH2+]1 306803900 345625129 /nfs/dbraw/zinc/62/51/29/345625129.db2.gz WPRCAAHMLCNDDZ-QWRGUYRKSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@H]1C[C@H](C[NH+]2CC=CC2)CC[NH2+]1 306803901 345625131 /nfs/dbraw/zinc/62/51/31/345625131.db2.gz WPRCAAHMLCNDDZ-WDEREUQCSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@@H]1C[C@@H](C[NH+]2CC=CC2)CC[NH2+]1 306803899 345625156 /nfs/dbraw/zinc/62/51/56/345625156.db2.gz WPRCAAHMLCNDDZ-MNOVXSKESA-N 2 0 180.295 1.246 10 0 ADAERP C/C(=C/c1ccncc1C)C[NH3+] 306804193 345625524 /nfs/dbraw/zinc/62/55/24/345625524.db2.gz XHHDZJWCZIUKBD-YVMONPNESA-N 2 0 162.236 1.752 10 0 ADAERP Cc1[nH]c(N[C@]2(C)CC[NH2+]C2)[nH+]c1C 306808291 345627863 /nfs/dbraw/zinc/62/78/63/345627863.db2.gz ONIJLIQBBPRZMM-SNVBAGLBSA-N 2 0 194.282 1.190 10 0 ADAERP Cc1[nH]c(N[C@@]2(C)CC[NH2+]C2)[nH+]c1C 306808290 345627928 /nfs/dbraw/zinc/62/79/28/345627928.db2.gz ONIJLIQBBPRZMM-JTQLQIEISA-N 2 0 194.282 1.190 10 0 ADAERP C[C@@H]1C[C@@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 306812234 345630857 /nfs/dbraw/zinc/63/08/57/345630857.db2.gz YSRSBEHDMYMWJC-PZWNZHSQSA-N 2 0 194.322 1.597 10 0 ADAERP Cc1[nH+]cc([C@H]2CCC[C@H]([NH3+])C2)n1C 306818862 345634328 /nfs/dbraw/zinc/63/43/28/345634328.db2.gz FYJCUHLAYCMXEL-UWVGGRQHSA-N 2 0 193.294 1.713 10 0 ADAERP Cc1[nH+]cc([C@@H]2CCC[C@H]([NH3+])C2)n1C 306818864 345634548 /nfs/dbraw/zinc/63/45/48/345634548.db2.gz FYJCUHLAYCMXEL-ZJUUUORDSA-N 2 0 193.294 1.713 10 0 ADAERP Cc1[nH+]cc([C@@H]2CCC[C@@H]([NH3+])C2)n1C 306818861 345634729 /nfs/dbraw/zinc/63/47/29/345634729.db2.gz FYJCUHLAYCMXEL-NXEZZACHSA-N 2 0 193.294 1.713 10 0 ADAERP Cc1[nH+]cc([C@H]2CCC[C@@H]([NH3+])C2)n1C 306818863 345634744 /nfs/dbraw/zinc/63/47/44/345634744.db2.gz FYJCUHLAYCMXEL-VHSXEESVSA-N 2 0 193.294 1.713 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)CC[C@@H]1[NH3+] 306821896 345636713 /nfs/dbraw/zinc/63/67/13/345636713.db2.gz LWKAMGMJRGEZAM-LDMBFOFVSA-N 2 0 194.322 1.454 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)CC[C@H]1[NH3+] 306821899 345636953 /nfs/dbraw/zinc/63/69/53/345636953.db2.gz LWKAMGMJRGEZAM-RMPHRYRLSA-N 2 0 194.322 1.454 10 0 ADAERP Cc1cc(N(C)C2C[NH2+]C2)cc(C)[nH+]1 306823790 345638922 /nfs/dbraw/zinc/63/89/22/345638922.db2.gz RJWFAAOEYATSOH-UHFFFAOYSA-N 2 0 191.278 1.106 10 0 ADAERP C1CC[NH+]([C@H]2CC23CC[NH2+]CC3)C1 306828193 345642399 /nfs/dbraw/zinc/64/23/99/345642399.db2.gz IETXYPHXLJUBLV-JTQLQIEISA-N 2 0 180.295 1.224 10 0 ADAERP C1CC[NH+]([C@@H]2CC23CC[NH2+]CC3)C1 306828194 345642755 /nfs/dbraw/zinc/64/27/55/345642755.db2.gz IETXYPHXLJUBLV-SNVBAGLBSA-N 2 0 180.295 1.224 10 0 ADAERP CN[C@@H](C[NH3+])c1csc(C)c1 306830620 345643988 /nfs/dbraw/zinc/64/39/88/345643988.db2.gz LOTLMDXHUFAPMU-QMMMGPOBSA-N 2 0 170.281 1.276 10 0 ADAERP C[C@H]1CCSCCN1C[C@@H](C)[NH3+] 306830642 345643996 /nfs/dbraw/zinc/64/39/96/345643996.db2.gz LQOGNCQIIALUCX-BDAKNGLRSA-N 2 0 188.340 1.161 10 0 ADAERP CN[C@H](C[NH3+])c1csc(C)c1 306830619 345644068 /nfs/dbraw/zinc/64/40/68/345644068.db2.gz LOTLMDXHUFAPMU-MRVPVSSYSA-N 2 0 170.281 1.276 10 0 ADAERP C[C@@H]([NH3+])CN1CCSCC[C@H]1C 306830643 345644135 /nfs/dbraw/zinc/64/41/35/345644135.db2.gz LQOGNCQIIALUCX-RKDXNWHRSA-N 2 0 188.340 1.161 10 0 ADAERP Cc1cc(NCC[NH3+])cc(C)[nH+]1 306832398 345645168 /nfs/dbraw/zinc/64/51/68/345645168.db2.gz LZXBVIQANZODPL-UHFFFAOYSA-N 2 0 165.240 1.069 10 0 ADAERP C[C@@H]1CC[N@@H+]1[C@@H]1CC[C@H](C[NH3+])C1 306833011 345645763 /nfs/dbraw/zinc/64/57/63/345645763.db2.gz PEZKZLDLOCZLOD-KXUCPTDWSA-N 2 0 168.284 1.208 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1ccncc1Cl 306835931 345647407 /nfs/dbraw/zinc/64/74/07/345647407.db2.gz SEPUZGQEHLOQCM-QMMMGPOBSA-N 2 0 185.658 1.084 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 306835889 345647409 /nfs/dbraw/zinc/64/74/09/345647409.db2.gz TVJCELHNFLLAEO-DBIOUOCHSA-N 2 0 182.311 1.644 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1ccncc1Cl 306835930 345647477 /nfs/dbraw/zinc/64/74/77/345647477.db2.gz SEPUZGQEHLOQCM-MRVPVSSYSA-N 2 0 185.658 1.084 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 306835892 345647649 /nfs/dbraw/zinc/64/76/49/345647649.db2.gz TVJCELHNFLLAEO-ZNSHCXBVSA-N 2 0 182.311 1.644 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 306835890 345647813 /nfs/dbraw/zinc/64/78/13/345647813.db2.gz TVJCELHNFLLAEO-RCWTZXSCSA-N 2 0 182.311 1.644 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CC[NH3+])cc1F 306842748 345651568 /nfs/dbraw/zinc/65/15/68/345651568.db2.gz CPBLHZCXAVBGRN-JTQLQIEISA-N 2 0 182.242 1.483 10 0 ADAERP C[NH2+][C@@H]1CCN([C@H]2C[C@@H]3C[C@@H]3C2)C1 306842820 345651637 /nfs/dbraw/zinc/65/16/37/345651637.db2.gz CIUUUBSWFLIDLV-LMLFDSFASA-N 2 0 180.295 1.079 10 0 ADAERP Cc1ccc([C@H]([NH3+])CC[NH3+])cc1F 306842750 345651847 /nfs/dbraw/zinc/65/18/47/345651847.db2.gz CPBLHZCXAVBGRN-SNVBAGLBSA-N 2 0 182.242 1.483 10 0 ADAERP CC1CC([N@H+](C)C2CC([NH3+])C2)C1 306843258 345652523 /nfs/dbraw/zinc/65/25/23/345652523.db2.gz GBYOEOVDSIBKSP-UHFFFAOYSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]1C[C@H]([N@H+](C)C2CC([NH3+])C2)[C@@H]1C 306844737 345652866 /nfs/dbraw/zinc/65/28/66/345652866.db2.gz HPSCYSBQJUVLPZ-BHJIFMEASA-N 2 0 182.311 1.452 10 0 ADAERP C[C@@H]1C[C@@H]([N@H+](C)C2CC([NH3+])C2)[C@@H]1C 306844739 345652892 /nfs/dbraw/zinc/65/28/92/345652892.db2.gz HPSCYSBQJUVLPZ-NBQXLRJMSA-N 2 0 182.311 1.452 10 0 ADAERP [NH3+]C[C@]1([NH3+])CCCC12CCCC2 306844607 345652954 /nfs/dbraw/zinc/65/29/54/345652954.db2.gz HNCZYVQUUXZRAM-SNVBAGLBSA-N 2 0 168.284 1.387 10 0 ADAERP C[C@@H]1[C@@H]([N@H+](C)C2CC([NH3+])C2)C[C@H]1C 306844738 345652996 /nfs/dbraw/zinc/65/29/96/345652996.db2.gz HPSCYSBQJUVLPZ-JOUYRYFISA-N 2 0 182.311 1.452 10 0 ADAERP C[C@H]1[C@H](C)C[C@H]1[N@H+](C)C1CC([NH3+])C1 306844740 345653080 /nfs/dbraw/zinc/65/30/80/345653080.db2.gz HPSCYSBQJUVLPZ-QNDJDPKUSA-N 2 0 182.311 1.452 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+]C1CCC([NH3+])CC1 306847719 345654834 /nfs/dbraw/zinc/65/48/34/345654834.db2.gz LRNXRLNERPECBT-IDWGSYCQSA-N 2 0 182.311 1.644 10 0 ADAERP C[C@H]1CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 306847720 345654931 /nfs/dbraw/zinc/65/49/31/345654931.db2.gz LRNXRLNERPECBT-PMUOWJKOSA-N 2 0 182.311 1.644 10 0 ADAERP [NH3+]CC[C@@H]([NH3+])c1cc(F)cc(F)c1 306847384 345655013 /nfs/dbraw/zinc/65/50/13/345655013.db2.gz JRXAGQVDPGLVRK-SECBINFHSA-N 2 0 186.205 1.313 10 0 ADAERP CCC(=[NH2+])N1CC[C@H]([NH+](C)C)[C@@H]1C 306848794 345655419 /nfs/dbraw/zinc/65/54/19/345655419.db2.gz MFSZIFFRJGNIPC-IUCAKERBSA-N 2 0 183.299 1.398 10 0 ADAERP CCC(=[NH2+])N1CC[C@H]([NH+](C)C)[C@H]1C 306848792 345655474 /nfs/dbraw/zinc/65/54/74/345655474.db2.gz MFSZIFFRJGNIPC-BDAKNGLRSA-N 2 0 183.299 1.398 10 0 ADAERP CCC(=[NH2+])N1CC[C@@H]([NH+](C)C)[C@@H]1C 306848793 345655502 /nfs/dbraw/zinc/65/55/02/345655502.db2.gz MFSZIFFRJGNIPC-DTWKUNHWSA-N 2 0 183.299 1.398 10 0 ADAERP Cc1c(F)cccc1[C@@H]([NH3+])CC[NH3+] 306848020 345655640 /nfs/dbraw/zinc/65/56/40/345655640.db2.gz KTAMHKVVOBGZJO-JTQLQIEISA-N 2 0 182.242 1.483 10 0 ADAERP Cc1c(F)cccc1[C@H]([NH3+])CC[NH3+] 306848021 345655665 /nfs/dbraw/zinc/65/56/65/345655665.db2.gz KTAMHKVVOBGZJO-SNVBAGLBSA-N 2 0 182.242 1.483 10 0 ADAERP CCC(=[NH2+])N1CC[C@@H]([NH+](C)C)[C@H]1C 306848795 345655911 /nfs/dbraw/zinc/65/59/11/345655911.db2.gz MFSZIFFRJGNIPC-RKDXNWHRSA-N 2 0 183.299 1.398 10 0 ADAERP CC(C)[N@H+]1C[C@H](C[NH3+])C[C@@H](C)C1 306849005 345656246 /nfs/dbraw/zinc/65/62/46/345656246.db2.gz MJJLVONTBQHVRG-ZJUUUORDSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[N@@H+]1C[C@@H](C)C[C@@H](C[NH3+])C1 306849003 345656270 /nfs/dbraw/zinc/65/62/70/345656270.db2.gz MJJLVONTBQHVRG-UWVGGRQHSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[N@@H+]1C[C@H](C)C[C@H](C[NH3+])C1 306849002 345656353 /nfs/dbraw/zinc/65/63/53/345656353.db2.gz MJJLVONTBQHVRG-NXEZZACHSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[N@@H+]1C[C@@H](C)C[C@H](C[NH3+])C1 306849004 345656392 /nfs/dbraw/zinc/65/63/92/345656392.db2.gz MJJLVONTBQHVRG-VHSXEESVSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H]1C 306850195 345656545 /nfs/dbraw/zinc/65/65/45/345656545.db2.gz OYMDRZAWKPWTPH-IWSPIJDZSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H](C)[NH3+] 306850194 345656816 /nfs/dbraw/zinc/65/68/16/345656816.db2.gz OYMDRZAWKPWTPH-HLTSFMKQSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])[C@@H]1C 306850193 345656848 /nfs/dbraw/zinc/65/68/48/345656848.db2.gz OYMDRZAWKPWTPH-DJLDLDEBSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CCCN1c1cc[nH+]cc1 306852042 345657723 /nfs/dbraw/zinc/65/77/23/345657723.db2.gz RNUGVBHEKMENAR-MWLCHTKSSA-N 2 0 191.278 1.398 10 0 ADAERP Cc1cnccc1/C=C/C[NH3+] 306854791 345659305 /nfs/dbraw/zinc/65/93/05/345659305.db2.gz AWIPSYPQJZADSU-NSCUHMNNSA-N 2 0 148.209 1.362 10 0 ADAERP C[N@H+](C1CC([NH3+])C1)[C@@H]1CCC1(C)C 306860203 345663536 /nfs/dbraw/zinc/66/35/36/345663536.db2.gz FTQZWLOTQVZPDO-UDNWOFFPSA-N 2 0 182.311 1.597 10 0 ADAERP C[N@H+](C1CC([NH3+])C1)[C@H]1CCC1(C)C 306860201 345663623 /nfs/dbraw/zinc/66/36/23/345663623.db2.gz FTQZWLOTQVZPDO-RTBKNWGFSA-N 2 0 182.311 1.597 10 0 ADAERP 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/nfs/dbraw/zinc/69/54/16/345695416.db2.gz ROMDOXCEJODKBL-BDAKNGLRSA-N 2 0 180.295 1.208 10 0 ADAERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH+]1CC2(CC2)C1 306912131 345695440 /nfs/dbraw/zinc/69/54/40/345695440.db2.gz ROMDOXCEJODKBL-IUCAKERBSA-N 2 0 180.295 1.208 10 0 ADAERP CC1(C)[C@@H]([NH3+])C[C@H]1[NH+]1CC2(CC2)C1 306912130 345695560 /nfs/dbraw/zinc/69/55/60/345695560.db2.gz ROMDOXCEJODKBL-DTWKUNHWSA-N 2 0 180.295 1.208 10 0 ADAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH+]1CC2(CC2)C1 306912132 345695586 /nfs/dbraw/zinc/69/55/86/345695586.db2.gz ROMDOXCEJODKBL-RKDXNWHRSA-N 2 0 180.295 1.208 10 0 ADAERP CC1(C)C[NH+](C[C@H]2C=C[C@H]([NH3+])C2)C1 306913989 345696418 /nfs/dbraw/zinc/69/64/18/345696418.db2.gz QJXQZQRFVFNFQI-UWVGGRQHSA-N 2 0 180.295 1.232 10 0 ADAERP CC1(C)C[NH+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 306913991 345696422 /nfs/dbraw/zinc/69/64/22/345696422.db2.gz QJXQZQRFVFNFQI-VHSXEESVSA-N 2 0 180.295 1.232 10 0 ADAERP CC1(C)C[NH+](C[C@@H]2C=C[C@@H]([NH3+])C2)C1 306913987 345696493 /nfs/dbraw/zinc/69/64/93/345696493.db2.gz QJXQZQRFVFNFQI-NXEZZACHSA-N 2 0 180.295 1.232 10 0 ADAERP CC1(C)C[NH+](C[C@@H]2C=C[C@H]([NH3+])C2)C1 306913992 345696602 /nfs/dbraw/zinc/69/66/02/345696602.db2.gz QJXQZQRFVFNFQI-ZJUUUORDSA-N 2 0 180.295 1.232 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]([NH3+])C1 306919563 345698380 /nfs/dbraw/zinc/69/83/80/345698380.db2.gz DSQVDVSGDAKSTL-BBBLOLIVSA-N 2 0 182.311 1.644 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[C@H]([NH3+])C1 306919565 345698388 /nfs/dbraw/zinc/69/83/88/345698388.db2.gz DSQVDVSGDAKSTL-GUBZILKMSA-N 2 0 182.311 1.644 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H]([NH3+])C1 306919567 345698421 /nfs/dbraw/zinc/69/84/21/345698421.db2.gz DSQVDVSGDAKSTL-UTLUCORTSA-N 2 0 182.311 1.644 10 0 ADAERP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]([NH3+])C1 306919561 345698467 /nfs/dbraw/zinc/69/84/67/345698467.db2.gz DSQVDVSGDAKSTL-AEJSXWLSSA-N 2 0 182.311 1.644 10 0 ADAERP Cc1cc(N2CCC2)c(C[NH3+])c[nH+]1 306920149 345698956 /nfs/dbraw/zinc/69/89/56/345698956.db2.gz LPUIVZZRHWRYHZ-UHFFFAOYSA-N 2 0 177.251 1.059 10 0 ADAERP CC(C)[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 306922178 345699630 /nfs/dbraw/zinc/69/96/30/345699630.db2.gz ULUNDPRYZPPNRU-UTUOFQBUSA-N 2 0 196.338 1.572 10 0 ADAERP CC(C)[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 306922177 345699690 /nfs/dbraw/zinc/69/96/90/345699690.db2.gz ULUNDPRYZPPNRU-TUAOUCFPSA-N 2 0 196.338 1.572 10 0 ADAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CC3)C[C@H]12 306925785 345701763 /nfs/dbraw/zinc/70/17/63/345701763.db2.gz NMIPEKGMFDTFBC-GARJFASQSA-N 2 0 180.295 1.066 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 306925788 345701865 /nfs/dbraw/zinc/70/18/65/345701865.db2.gz NMIPEKGMFDTFBC-OUAUKWLOSA-N 2 0 180.295 1.066 10 0 ADAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CC3)C[C@@H]12 306925787 345701874 /nfs/dbraw/zinc/70/18/74/345701874.db2.gz NMIPEKGMFDTFBC-HBNTYKKESA-N 2 0 180.295 1.066 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CC3)C[C@H]21 306925786 345702014 /nfs/dbraw/zinc/70/20/14/345702014.db2.gz NMIPEKGMFDTFBC-GMTAPVOTSA-N 2 0 180.295 1.066 10 0 ADAERP CCC1C[NH+]([C@H]2CC[C@H]([NH3+])C2)C1 306930174 345704508 /nfs/dbraw/zinc/70/45/08/345704508.db2.gz BRNLDDPKMXGSNL-UWVGGRQHSA-N 2 0 168.284 1.208 10 0 ADAERP CCC1C[NH+]([C@@H]2CC[C@H]([NH3+])C2)C1 306930175 345704582 /nfs/dbraw/zinc/70/45/82/345704582.db2.gz BRNLDDPKMXGSNL-VHSXEESVSA-N 2 0 168.284 1.208 10 0 ADAERP CCC1C[NH+]([C@@H]2CC[C@@H]([NH3+])C2)C1 306930173 345704674 /nfs/dbraw/zinc/70/46/74/345704674.db2.gz BRNLDDPKMXGSNL-NXEZZACHSA-N 2 0 168.284 1.208 10 0 ADAERP CCC1C[NH+]([C@H]2CC[C@@H]([NH3+])C2)C1 306930176 345704764 /nfs/dbraw/zinc/70/47/64/345704764.db2.gz BRNLDDPKMXGSNL-ZJUUUORDSA-N 2 0 168.284 1.208 10 0 ADAERP CC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H]1C 306940320 345709515 /nfs/dbraw/zinc/70/95/15/345709515.db2.gz BRRRXHDWBOKLBP-CIUDSAMLSA-N 2 0 156.273 1.125 10 0 ADAERP CC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 306940323 345709588 /nfs/dbraw/zinc/70/95/88/345709588.db2.gz BRRRXHDWBOKLBP-YIZRAAEISA-N 2 0 156.273 1.125 10 0 ADAERP CC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H]1C 306940321 345709673 /nfs/dbraw/zinc/70/96/73/345709673.db2.gz BRRRXHDWBOKLBP-DJLDLDEBSA-N 2 0 156.273 1.125 10 0 ADAERP CC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 306940322 345709680 /nfs/dbraw/zinc/70/96/80/345709680.db2.gz BRRRXHDWBOKLBP-XHNCKOQMSA-N 2 0 156.273 1.125 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1C[N@H+]1C[C@H]2C[C@H]2C1 306943607 345710734 /nfs/dbraw/zinc/71/07/34/345710734.db2.gz ACSBDPWYGZJMFN-UKKRHICBSA-N 2 0 180.295 1.066 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1C[N@H+]1C[C@H]2C[C@H]2C1 306943603 345710745 /nfs/dbraw/zinc/71/07/45/345710745.db2.gz ACSBDPWYGZJMFN-CHWFTXMASA-N 2 0 180.295 1.066 10 0 ADAERP C[C@@H]1[C@@H]([NH+]2CCC([NH3+])CC2)C[C@H]1C 306947464 345712999 /nfs/dbraw/zinc/71/29/99/345712999.db2.gz PREBWFGTGQACNN-YWVKMMECSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])CC2)[C@@H]1C 306947462 345713033 /nfs/dbraw/zinc/71/30/33/345713033.db2.gz PREBWFGTGQACNN-KKZNHRDASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1N(C)C(C)(C)C 306947938 345713045 /nfs/dbraw/zinc/71/30/45/345713045.db2.gz RGYOEWGWMWLCNM-VHSXEESVSA-N 2 0 184.327 1.857 10 0 ADAERP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])CC2)[C@@H]1C 306947461 345713124 /nfs/dbraw/zinc/71/31/24/345713124.db2.gz PREBWFGTGQACNN-FXPVBKGRSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1[NH2+]CCC[C@@H]1N(C)C(C)(C)C 306947939 345713137 /nfs/dbraw/zinc/71/31/37/345713137.db2.gz RGYOEWGWMWLCNM-ZJUUUORDSA-N 2 0 184.327 1.857 10 0 ADAERP C[C@H]1[NH2+]CCC[C@H]1N(C)C(C)(C)C 306947936 345713286 /nfs/dbraw/zinc/71/32/86/345713286.db2.gz RGYOEWGWMWLCNM-NXEZZACHSA-N 2 0 184.327 1.857 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1N(C)C(C)(C)C 306947937 345713440 /nfs/dbraw/zinc/71/34/40/345713440.db2.gz RGYOEWGWMWLCNM-UWVGGRQHSA-N 2 0 184.327 1.857 10 0 ADAERP CC1CC([N@@H+]2C[C@@H]3C[C@H](C2)C3[NH3+])C1 306952930 345716088 /nfs/dbraw/zinc/71/60/88/345716088.db2.gz MGNUJYMKQBGXQR-YFYNPKGQSA-N 2 0 180.295 1.064 10 0 ADAERP [NH3+]CC1([NH+]2C3CCC2CC3)CC1 306954670 345717107 /nfs/dbraw/zinc/71/71/07/345717107.db2.gz ORIFFIZOOHLONV-UHFFFAOYSA-N 2 0 166.268 1.105 10 0 ADAERP C1C[C@H]2[C@H](C1)C[N@H+]2C[C@@H]1CC[NH2+]C1 306956508 345717642 /nfs/dbraw/zinc/71/76/42/345717642.db2.gz RPNGZESLNOUXAR-MXWKQRLJSA-N 2 0 180.295 1.080 10 0 ADAERP C1C[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)[C@@H]2C1 306956506 345717720 /nfs/dbraw/zinc/71/77/20/345717720.db2.gz RPNGZESLNOUXAR-GMTAPVOTSA-N 2 0 180.295 1.080 10 0 ADAERP C1C[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)[C@@H]2C1 306956507 345717732 /nfs/dbraw/zinc/71/77/32/345717732.db2.gz RPNGZESLNOUXAR-HBNTYKKESA-N 2 0 180.295 1.080 10 0 ADAERP C1C[C@H]2[C@H](C1)C[N@H+]2C[C@H]1CC[NH2+]C1 306956505 345717787 /nfs/dbraw/zinc/71/77/87/345717787.db2.gz RPNGZESLNOUXAR-AXFHLTTASA-N 2 0 180.295 1.080 10 0 ADAERP CC[NH+]1CCC2(CC1)C[NH2+]C[C@@H]2C 306957656 345718314 /nfs/dbraw/zinc/71/83/14/345718314.db2.gz UFAQRYGCYTWBCZ-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP C[C@H]1[NH2+]CCC[C@@H]1C[NH+]1CCC1 306961670 345720442 /nfs/dbraw/zinc/72/04/42/345720442.db2.gz AWAPYICZNQHKJW-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1C[NH+]1CCC1 306961671 345720522 /nfs/dbraw/zinc/72/05/22/345720522.db2.gz AWAPYICZNQHKJW-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1C[NH+]1CCC1 306961672 345720545 /nfs/dbraw/zinc/72/05/45/345720545.db2.gz AWAPYICZNQHKJW-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP CC[C@@]1(C)CC[N@H+](CCN)C1 306963814 345722238 /nfs/dbraw/zinc/72/22/38/345722238.db2.gz LVVSVTBQUDFYHJ-VIFPVBQESA-N 2 0 156.273 1.067 10 0 ADAERP CC[C@]1(C)CC[N@H+](CCN)C1 306963811 345722390 /nfs/dbraw/zinc/72/23/90/345722390.db2.gz LVVSVTBQUDFYHJ-SECBINFHSA-N 2 0 156.273 1.067 10 0 ADAERP CC1(C[N@@H+]2CCC3(CC3)C2)C[NH2+]C1 306966658 345723874 /nfs/dbraw/zinc/72/38/74/345723874.db2.gz LNHDBJXEMSJOLF-UHFFFAOYSA-N 2 0 180.295 1.082 10 0 ADAERP C[C@H]1[C@H](C)CC[N@@H+]1C1CC([NH3+])C1 306968532 345724686 /nfs/dbraw/zinc/72/46/86/345724686.db2.gz HTOBOURFWJKOHS-XHHQTKHESA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]1CC[N@H+](C2CC([NH3+])C2)[C@@H]1C 306968529 345724845 /nfs/dbraw/zinc/72/48/45/345724845.db2.gz HTOBOURFWJKOHS-LGUIWLBCSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@H]1CC[N@H+](C2CC([NH3+])C2)[C@@H]1C 306968524 345724858 /nfs/dbraw/zinc/72/48/58/345724858.db2.gz HTOBOURFWJKOHS-AFWXGSBKSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@H]1CC[N@H+](C2CC([NH3+])C2)[C@H]1C 306968527 345724898 /nfs/dbraw/zinc/72/48/98/345724898.db2.gz HTOBOURFWJKOHS-DKEVHCRPSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@H]1CC[C@H](C[NH+]2CC=CC2)C[NH2+]1 306971235 345726111 /nfs/dbraw/zinc/72/61/11/345726111.db2.gz RVTZSYHZUPSPHW-QWRGUYRKSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@H]1CC[C@@H](C[NH+]2CC=CC2)C[NH2+]1 306971236 345726186 /nfs/dbraw/zinc/72/61/86/345726186.db2.gz RVTZSYHZUPSPHW-WDEREUQCSA-N 2 0 180.295 1.246 10 0 ADAERP C[NH2+][C@@H](C)C[N@@H+]1CC[C@H]2CCCC[C@H]21 306979280 345731744 /nfs/dbraw/zinc/73/17/44/345731744.db2.gz FPRWPBDHOFXTDC-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP CC1(C)[C@H]2C[N@H+](CC3([NH3+])CC3)C[C@H]21 306984681 345734745 /nfs/dbraw/zinc/73/47/45/345734745.db2.gz VLANTFIKTOUCTI-DTORHVGOSA-N 2 0 180.295 1.066 10 0 ADAERP C[C@H]([NH2+]C1CCCC1)[C@@H](C)[NH3+] 306986597 345735269 /nfs/dbraw/zinc/73/52/69/345735269.db2.gz PBMHFTFZKCZQJT-SFYZADRCSA-N 2 0 156.273 1.254 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C1CCCC1 306986596 345735305 /nfs/dbraw/zinc/73/53/05/345735305.db2.gz PBMHFTFZKCZQJT-JGVFFNPUSA-N 2 0 156.273 1.254 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCCC1 306986598 345735333 /nfs/dbraw/zinc/73/53/33/345735333.db2.gz PBMHFTFZKCZQJT-YUMQZZPRSA-N 2 0 156.273 1.254 10 0 ADAERP C[C@H](C[NH+]1CC(C)(C)C1)C1C[NH2+]C1 306987141 345735981 /nfs/dbraw/zinc/73/59/81/345735981.db2.gz YIGFPYSEQPAQHN-SECBINFHSA-N 2 0 182.311 1.184 10 0 ADAERP C[C@@H](C[NH+]1CC(C)(C)C1)C1C[NH2+]C1 306987142 345736115 /nfs/dbraw/zinc/73/61/15/345736115.db2.gz YIGFPYSEQPAQHN-VIFPVBQESA-N 2 0 182.311 1.184 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])CC(C)(C)C1 306988290 345736394 /nfs/dbraw/zinc/73/63/94/345736394.db2.gz GHBZLYQQVCLRND-VIFPVBQESA-N 2 0 170.300 1.456 10 0 ADAERP CC[N@@H+]1CC[C@@H]([NH3+])CC(C)(C)C1 306988283 345736698 /nfs/dbraw/zinc/73/66/98/345736698.db2.gz GHBZLYQQVCLRND-SECBINFHSA-N 2 0 170.300 1.456 10 0 ADAERP C[C@]1(C[NH+]2CCC2)CCC[C@H]1[NH3+] 306998099 345741930 /nfs/dbraw/zinc/74/19/30/345741930.db2.gz AZEAXDCUFICHAI-NXEZZACHSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@@]1(C[NH+]2CCC2)CCC[C@H]1[NH3+] 306998102 345742045 /nfs/dbraw/zinc/74/20/45/345742045.db2.gz AZEAXDCUFICHAI-ZJUUUORDSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@@]1(C[NH+]2CCC2)CCC[C@@H]1[NH3+] 306998100 345742097 /nfs/dbraw/zinc/74/20/97/345742097.db2.gz AZEAXDCUFICHAI-UWVGGRQHSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@]1(C[NH+]2CCC2)CCC[C@@H]1[NH3+] 306998101 345742206 /nfs/dbraw/zinc/74/22/06/345742206.db2.gz AZEAXDCUFICHAI-VHSXEESVSA-N 2 0 168.284 1.210 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[N@H+]2C[C@H]3C[C@H]3C2)C1 306999968 345743080 /nfs/dbraw/zinc/74/30/80/345743080.db2.gz BPHHIQVJXSWLMV-CHWFTXMASA-N 2 0 180.295 1.066 10 0 ADAERP CC(C)C1([NH+]2CCC([NH3+])CC2)CC1 307002146 345744774 /nfs/dbraw/zinc/74/47/74/345744774.db2.gz IHKWWLMXBLVVDC-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CC(C)(C)C1 307002946 345745297 /nfs/dbraw/zinc/74/52/97/345745297.db2.gz INEBZOHKBCNQPA-ZJUUUORDSA-N 2 0 182.311 1.184 10 0 ADAERP CC1(C)C[NH+]([C@@H]2CC[C@@H]2C[NH3+])C1 307007061 345747950 /nfs/dbraw/zinc/74/79/50/345747950.db2.gz LMCGBTXSFNOBRL-RKDXNWHRSA-N 2 0 168.284 1.066 10 0 ADAERP CC1(C)C[NH+]([C@H]2CC[C@@H]2C[NH3+])C1 307007055 345748065 /nfs/dbraw/zinc/74/80/65/345748065.db2.gz LMCGBTXSFNOBRL-BDAKNGLRSA-N 2 0 168.284 1.066 10 0 ADAERP CC[C@]1(C)C[C@H]1N1CCC[C@@H]([NH3+])C1 307008632 345748969 /nfs/dbraw/zinc/74/89/69/345748969.db2.gz HSJOVJIMTSMANF-GMTAPVOTSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@]1(C)C[C@@H]1N1CCC[C@H]([NH3+])C1 307008631 345749029 /nfs/dbraw/zinc/74/90/29/345749029.db2.gz HSJOVJIMTSMANF-GARJFASQSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@]1(C)C[C@@H]1N1CCC[C@@H]([NH3+])C1 307008634 345749149 /nfs/dbraw/zinc/74/91/49/345749149.db2.gz HSJOVJIMTSMANF-OUAUKWLOSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@]1(C)C[C@H]1N1CCC[C@H]([NH3+])C1 307008633 345749157 /nfs/dbraw/zinc/74/91/57/345749157.db2.gz HSJOVJIMTSMANF-HBNTYKKESA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCCCC1 307010393 345750628 /nfs/dbraw/zinc/75/06/28/345750628.db2.gz JMYRGHAWEGZAAO-GXSJLCMTSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCCCC1 307010396 345750684 /nfs/dbraw/zinc/75/06/84/345750684.db2.gz JMYRGHAWEGZAAO-ONGXEEELSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCCCC1 307010395 345750726 /nfs/dbraw/zinc/75/07/26/345750726.db2.gz JMYRGHAWEGZAAO-MWLCHTKSSA-N 2 0 182.311 1.517 10 0 ADAERP C[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCCCC1 307010394 345750748 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SLUYHNJQGFSQML-BDAKNGLRSA-N 2 0 156.273 1.112 10 0 ADAERP CC(C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 307080890 345798721 /nfs/dbraw/zinc/79/87/21/345798721.db2.gz SLUYHNJQGFSQML-IUCAKERBSA-N 2 0 156.273 1.112 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 307080889 345798869 /nfs/dbraw/zinc/79/88/69/345798869.db2.gz SLUYHNJQGFSQML-DTWKUNHWSA-N 2 0 156.273 1.112 10 0 ADAERP C/C(=C\Cl)CN1CC[C@H]([NH3+])[C@H]1C 307084586 345800646 /nfs/dbraw/zinc/80/06/46/345800646.db2.gz WOMFDJXKLODHBA-FQDVODHFSA-N 2 0 188.702 1.551 10 0 ADAERP C/C(=C\Cl)CN1CC[C@H]([NH3+])[C@@H]1C 307084589 345800721 /nfs/dbraw/zinc/80/07/21/345800721.db2.gz WOMFDJXKLODHBA-NHELSVQFSA-N 2 0 188.702 1.551 10 0 ADAERP Cc1cc([C@@H]([NH3+])CC[NH3+])cc(C)c1O 307085649 345801154 /nfs/dbraw/zinc/80/11/54/345801154.db2.gz JQAMIKWRZZVRNK-JTQLQIEISA-N 2 0 194.278 1.358 10 0 ADAERP Cc1cc([C@H]([NH3+])CC[NH3+])cc(C)c1O 307085650 345801243 /nfs/dbraw/zinc/80/12/43/345801243.db2.gz JQAMIKWRZZVRNK-SNVBAGLBSA-N 2 0 194.278 1.358 10 0 ADAERP 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IDKUMQUBXBQLBD-QJPTWQEYSA-N 2 0 192.306 1.952 10 0 ADAERP CC1=NC[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@H]23 584659030 346746098 /nfs/dbraw/zinc/74/60/98/346746098.db2.gz IDKUMQUBXBQLBD-SRVKXCTJSA-N 2 0 192.306 1.952 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@H]2CCCC[C@@H]21 584880895 346747836 /nfs/dbraw/zinc/74/78/36/346747836.db2.gz AIFMRMJXPUNQQM-WOPDTQHZSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@H]2CCCC[C@H]21 584880893 346747860 /nfs/dbraw/zinc/74/78/60/346747860.db2.gz AIFMRMJXPUNQQM-SDDRHHMPSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@H]2CCCC[C@H]21 584880891 346747872 /nfs/dbraw/zinc/74/78/72/346747872.db2.gz AIFMRMJXPUNQQM-GRYCIOLGSA-N 2 0 196.338 1.987 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]2CCCC[C@@H]21 584881064 346748191 /nfs/dbraw/zinc/74/81/91/346748191.db2.gz CHIPNQGQWFLHIQ-DCAQKATOSA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@H+](C)[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 584881386 346748219 /nfs/dbraw/zinc/74/82/19/346748219.db2.gz IGDOTTPCFDSYRX-SDDRHHMPSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@H]2CCCC[C@@H]21 584881067 346748271 /nfs/dbraw/zinc/74/82/71/346748271.db2.gz CHIPNQGQWFLHIQ-VWYCJHECSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 584881099 346748319 /nfs/dbraw/zinc/74/83/19/346748319.db2.gz CKAVUKGVYPFTSF-BBBLOLIVSA-N 2 0 168.284 1.127 10 0 ADAERP CC[N@H+](C)[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21 584881384 346748331 /nfs/dbraw/zinc/74/83/31/346748331.db2.gz IGDOTTPCFDSYRX-IJLUTSLNSA-N 2 0 196.338 1.859 10 0 ADAERP CC[N@H+](C)[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 584881385 346748379 /nfs/dbraw/zinc/74/83/79/346748379.db2.gz IGDOTTPCFDSYRX-QJPTWQEYSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 584881101 346748414 /nfs/dbraw/zinc/74/84/14/346748414.db2.gz CKAVUKGVYPFTSF-OPRDCNLKSA-N 2 0 168.284 1.127 10 0 ADAERP C[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 584881100 346748438 /nfs/dbraw/zinc/74/84/38/346748438.db2.gz CKAVUKGVYPFTSF-IVZWLZJFSA-N 2 0 168.284 1.127 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]2CCCC[C@H]21 584881065 346748458 /nfs/dbraw/zinc/74/84/58/346748458.db2.gz CHIPNQGQWFLHIQ-GARJFASQSA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@H+](C)[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 584881380 346748464 /nfs/dbraw/zinc/74/84/64/346748464.db2.gz IGDOTTPCFDSYRX-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP C[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 584881091 346748531 /nfs/dbraw/zinc/74/85/31/346748531.db2.gz CKAVUKGVYPFTSF-AEJSXWLSSA-N 2 0 168.284 1.127 10 0 ADAERP CC[N@@H+]1CC[C@H]([NH3+])[C@H]2CCCC[C@H]21 584881066 346748539 /nfs/dbraw/zinc/74/85/39/346748539.db2.gz CHIPNQGQWFLHIQ-OUAUKWLOSA-N 2 0 182.311 1.598 10 0 ADAERP CC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 584881879 346749081 /nfs/dbraw/zinc/74/90/81/346749081.db2.gz SCDZDJXDYKSNSY-GARJFASQSA-N 2 0 182.311 1.517 10 0 ADAERP CC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 584881881 346748999 /nfs/dbraw/zinc/74/89/99/346748999.db2.gz SCDZDJXDYKSNSY-HBNTYKKESA-N 2 0 182.311 1.517 10 0 ADAERP CC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 584881883 346749039 /nfs/dbraw/zinc/74/90/39/346749039.db2.gz SCDZDJXDYKSNSY-OUAUKWLOSA-N 2 0 182.311 1.517 10 0 ADAERP CC[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 584881880 346749060 /nfs/dbraw/zinc/74/90/60/346749060.db2.gz SCDZDJXDYKSNSY-GMTAPVOTSA-N 2 0 182.311 1.517 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 584881877 346749133 /nfs/dbraw/zinc/74/91/33/346749133.db2.gz SBXLCOZPHMVTKV-QJPTWQEYSA-N 2 0 196.338 1.905 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 584881878 346749177 /nfs/dbraw/zinc/74/91/77/346749177.db2.gz SBXLCOZPHMVTKV-SDDRHHMPSA-N 2 0 196.338 1.905 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 584881872 346749204 /nfs/dbraw/zinc/74/92/04/346749204.db2.gz SBXLCOZPHMVTKV-GRYCIOLGSA-N 2 0 196.338 1.905 10 0 ADAERP CC(C)[NH2+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21 584881874 346749209 /nfs/dbraw/zinc/74/92/09/346749209.db2.gz SBXLCOZPHMVTKV-IJLUTSLNSA-N 2 0 196.338 1.905 10 0 ADAERP [NH3+]CC(F)(C[NH3+])CCc1ccccc1 585142674 346754087 /nfs/dbraw/zinc/75/40/87/346754087.db2.gz VYZVISISIOHHED-UHFFFAOYSA-N 2 0 196.269 1.245 10 0 ADAERP [NH3+]CC(F)(C[NH3+])CC1CCCCC1 585142698 346754119 /nfs/dbraw/zinc/75/41/19/346754119.db2.gz ZXGXKLWECKLWOD-UHFFFAOYSA-N 2 0 188.290 1.583 10 0 ADAERP CC1(C)CC(CC(F)(C[NH3+])C[NH3+])C1 585142541 346754344 /nfs/dbraw/zinc/75/43/44/346754344.db2.gz KBTOMRHVNUZHGF-UHFFFAOYSA-N 2 0 188.290 1.438 10 0 ADAERP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 591568944 346817255 /nfs/dbraw/zinc/81/72/55/346817255.db2.gz BGBGIVYDBLJKIJ-IWSPIJDZSA-N 2 0 188.340 1.207 10 0 ADAERP CS[C@H](C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 591568942 346817495 /nfs/dbraw/zinc/81/74/95/346817495.db2.gz BGBGIVYDBLJKIJ-HLTSFMKQSA-N 2 0 188.340 1.207 10 0 ADAERP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 591568943 346817636 /nfs/dbraw/zinc/81/76/36/346817636.db2.gz BGBGIVYDBLJKIJ-HRDYMLBCSA-N 2 0 188.340 1.207 10 0 ADAERP CS[C@H](C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 591568945 346817719 /nfs/dbraw/zinc/81/77/19/346817719.db2.gz BGBGIVYDBLJKIJ-VGMNWLOBSA-N 2 0 188.340 1.207 10 0 ADAERP CC[N@@H+]1CCC[C@H](n2ccnc2)C1 591866519 346825411 /nfs/dbraw/zinc/82/54/11/346825411.db2.gz BIFHFOOWANRHAN-JTQLQIEISA-N 2 0 179.267 1.540 10 0 ADAERP CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 591866520 346825698 /nfs/dbraw/zinc/82/56/98/346825698.db2.gz BIFHFOOWANRHAN-SNVBAGLBSA-N 2 0 179.267 1.540 10 0 ADAERP CC(C)=CC[N@H+]1CC[C@H](C[NH+](C)C)C1 603556943 346956359 /nfs/dbraw/zinc/95/63/59/346956359.db2.gz DGLYTWAUDSPQEM-GFCCVEGCSA-N 2 0 196.338 1.836 10 0 ADAERP CC(C)=CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 603556944 346956530 /nfs/dbraw/zinc/95/65/30/346956530.db2.gz DGLYTWAUDSPQEM-LBPRGKRZSA-N 2 0 196.338 1.836 10 0 ADAERP CC[C@H](C)C[N@H+](C)CCC[NH+](C)C 604774484 346965346 /nfs/dbraw/zinc/96/53/46/346965346.db2.gz YIEUFNZSWXDHBD-NSHDSACASA-N 2 0 186.343 1.916 10 0 ADAERP CC(C)C[N@H+](C)CCC[NH+](C)C 604771463 346965471 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347236785 /nfs/dbraw/zinc/23/67/85/347236785.db2.gz CKAMXFAHZJOHDB-TVUZUIDESA-N 2 0 182.311 1.502 10 0 ADAERP CC1CC(C[NH2+]C2CCC([NH3+])CC2)C1 622044903 347237321 /nfs/dbraw/zinc/23/73/21/347237321.db2.gz XFKQGCTWZUPKRV-UHFFFAOYSA-N 2 0 196.338 1.892 10 0 ADAERP CC1CC(C[NH2+][C@@H]2CCC[NH2+]CC2)C1 622044877 347237346 /nfs/dbraw/zinc/23/73/46/347237346.db2.gz WNUGDGVPPQYYEU-HTAVTVPLSA-N 2 0 196.338 1.764 10 0 ADAERP CC1CC(C[NH2+][C@H]2CCC[NH2+]CC2)C1 622044878 347237517 /nfs/dbraw/zinc/23/75/17/347237517.db2.gz WNUGDGVPPQYYEU-MCIGGMRASA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]([NH3+])CC[NH2+][C@H](C)C(C)(C)C 622045185 347238095 /nfs/dbraw/zinc/23/80/95/347238095.db2.gz GAFCRLLNDHRIFP-DTWKUNHWSA-N 2 0 172.316 1.748 10 0 ADAERP C[C@H]([NH3+])CC[NH2+][C@@H](C)C(C)(C)C 622045186 347238224 /nfs/dbraw/zinc/23/82/24/347238224.db2.gz GAFCRLLNDHRIFP-IUCAKERBSA-N 2 0 172.316 1.748 10 0 ADAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CC2)CC1(C)C 623352978 347255102 /nfs/dbraw/zinc/25/51/02/347255102.db2.gz 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0 196.338 1.905 10 0 ADAERP CC1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 629405001 347341961 /nfs/dbraw/zinc/34/19/61/347341961.db2.gz FSQUHIYMHVBHTR-POSLAHMBSA-N 2 0 196.338 1.905 10 0 ADAERP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]CC1CC1 629385881 347342000 /nfs/dbraw/zinc/34/20/00/347342000.db2.gz AQXRAPOZKYLPBP-SNVBAGLBSA-N 2 0 180.295 1.271 10 0 ADAERP CCC[C@@H](C)[NH2+]CCOCCC[NH3+] 629398570 347342016 /nfs/dbraw/zinc/34/20/16/347342016.db2.gz VEWFOQOOOYEXKA-SNVBAGLBSA-N 2 0 188.315 1.130 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1CCCCC1 629405004 347342018 /nfs/dbraw/zinc/34/20/18/347342018.db2.gz FTGBPYBSMOGCCM-CMPLNLGQSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1CC1 629390686 347342052 /nfs/dbraw/zinc/34/20/52/347342052.db2.gz MANJQVYZOSVSDN-VHSXEESVSA-N 2 0 168.284 1.127 10 0 ADAERP CCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629404630 347342058 /nfs/dbraw/zinc/34/20/58/347342058.db2.gz APCRXNMKBUWDIA-OUAUKWLOSA-N 2 0 184.327 1.905 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 629390294 347342099 /nfs/dbraw/zinc/34/20/99/347342099.db2.gz DNXHUXMWQFJGHS-NOOOWODRSA-N 2 0 196.338 1.905 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1C 629390150 347342154 /nfs/dbraw/zinc/34/21/54/347342154.db2.gz LLXTWEWDEFCHSR-FIQHERPVSA-N 2 0 196.338 1.905 10 0 ADAERP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629404720 347342166 /nfs/dbraw/zinc/34/21/66/347342166.db2.gz CLHRCQYSLYSRBT-OUAUKWLOSA-N 2 0 184.327 1.761 10 0 ADAERP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1CC 629390667 347342226 /nfs/dbraw/zinc/34/22/26/347342226.db2.gz LDVGDNVIPDBDAK-GARJFASQSA-N 2 0 184.327 1.905 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C)C1 629390295 347342239 /nfs/dbraw/zinc/34/22/39/347342239.db2.gz DNXHUXMWQFJGHS-WHOHXGKFSA-N 2 0 196.338 1.905 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC1CC1 629388275 347342250 /nfs/dbraw/zinc/34/22/50/347342250.db2.gz LXJLKVRLVCPPRM-ADEWGFFLSA-N 2 0 196.338 1.905 10 0 ADAERP 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629398569 347342365 /nfs/dbraw/zinc/34/23/65/347342365.db2.gz VEWFOQOOOYEXKA-JTQLQIEISA-N 2 0 188.315 1.130 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1C 629390152 347342385 /nfs/dbraw/zinc/34/23/85/347342385.db2.gz LLXTWEWDEFCHSR-NOOOWODRSA-N 2 0 196.338 1.905 10 0 ADAERP CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629406585 347342825 /nfs/dbraw/zinc/34/28/25/347342825.db2.gz OITMGUQMIXDZGP-GARJFASQSA-N 2 0 184.327 1.905 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC1CC1 629408393 347342834 /nfs/dbraw/zinc/34/28/34/347342834.db2.gz USHMPQORNMDWTP-WCABBAIRSA-N 2 0 182.311 1.515 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C 629407046 347342842 /nfs/dbraw/zinc/34/28/42/347342842.db2.gz VYLTWYZKSAKYPO-WRWGMCAJSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1C 629405646 347342872 /nfs/dbraw/zinc/34/28/72/347342872.db2.gz DCAPSMKFXMWHFZ-LMLFDSFASA-N 2 0 182.311 1.515 10 0 ADAERP CCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629406586 347342901 /nfs/dbraw/zinc/34/29/01/347342901.db2.gz OITMGUQMIXDZGP-HBNTYKKESA-N 2 0 184.327 1.905 10 0 ADAERP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1 629406131 347342909 /nfs/dbraw/zinc/34/29/09/347342909.db2.gz OCDQDNMHRGIZMR-NNYUYHANSA-N 2 0 196.338 1.905 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC(C)C 629405858 347342931 /nfs/dbraw/zinc/34/29/31/347342931.db2.gz VUHIKCFPGYSSRI-VHSXEESVSA-N 2 0 170.300 1.373 10 0 ADAERP CCC(CC)C[NH2+][C@@H]1CC[NH2+][C@H]1C 629405480 347342942 /nfs/dbraw/zinc/34/29/42/347342942.db2.gz BSGZBZWVFDCRRT-GXSJLCMTSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 629406134 347342955 /nfs/dbraw/zinc/34/29/55/347342955.db2.gz OCDQDNMHRGIZMR-WRWGMCAJSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C 629407044 347343004 /nfs/dbraw/zinc/34/30/04/347343004.db2.gz VYLTWYZKSAKYPO-NNYUYHANSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C 629407043 347343017 /nfs/dbraw/zinc/34/30/17/347343017.db2.gz VYLTWYZKSAKYPO-FIQHERPVSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 629408092 347343033 /nfs/dbraw/zinc/34/30/33/347343033.db2.gz QBSCIEOAJVTTRZ-GARJFASQSA-N 2 0 196.338 1.905 10 0 ADAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCCC1 629405896 347343047 /nfs/dbraw/zinc/34/30/47/347343047.db2.gz XEHMIWGCIHENHT-WDEREUQCSA-N 2 0 182.311 1.659 10 0 ADAERP CCC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@H]1C 629407126 347343095 /nfs/dbraw/zinc/34/30/95/347343095.db2.gz VEGQFEGDZLYICF-GARJFASQSA-N 2 0 184.327 1.763 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1C 629405648 347343110 /nfs/dbraw/zinc/34/31/10/347343110.db2.gz DCAPSMKFXMWHFZ-VPOLOUISSA-N 2 0 182.311 1.515 10 0 ADAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1 629405404 347343144 /nfs/dbraw/zinc/34/31/44/347343144.db2.gz ACVVBRMLIXVQAB-XWLWVQCSSA-N 2 0 182.311 1.515 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@H]1C 629407045 347343174 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C[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1[NH3+] 530227298 352188147 /nfs/dbraw/zinc/18/81/47/352188147.db2.gz RQOXXTGGAZVOLX-GXSJLCMTSA-N 2 0 196.338 1.702 10 0 ADAERP CC(C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 530222920 352188154 /nfs/dbraw/zinc/18/81/54/352188154.db2.gz SAXJHKYBGFAIET-MNOVXSKESA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 530218909 352188164 /nfs/dbraw/zinc/18/81/64/352188164.db2.gz JYOCWXAUQZKLHN-GXSJLCMTSA-N 2 0 194.322 1.659 10 0 ADAERP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1CC(C)(C)C1 530221824 352188200 /nfs/dbraw/zinc/18/82/00/352188200.db2.gz DTFKRJBXCFQCDQ-ONGXEEELSA-N 2 0 196.338 1.844 10 0 ADAERP CC1(C)CC(C[NH2+]CC2([NH3+])CCC2)C1 530218965 352188218 /nfs/dbraw/zinc/18/82/18/352188218.db2.gz KGXPZHSTVAWTFA-UHFFFAOYSA-N 2 0 196.338 1.894 10 0 ADAERP CC1(C)CC(C[N@@H+]2CCC[C@@H]([NH3+])C2)C1 530219766 352188239 /nfs/dbraw/zinc/18/82/39/352188239.db2.gz QNNMDUFIYUVSKA-LLVKDONJSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 530222927 352188258 /nfs/dbraw/zinc/18/82/58/352188258.db2.gz SAXJHKYBGFAIET-WDEREUQCSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1[NH3+] 530227299 352188318 /nfs/dbraw/zinc/18/83/18/352188318.db2.gz RQOXXTGGAZVOLX-KOLCDFICSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 530216928 352188339 /nfs/dbraw/zinc/18/83/39/352188339.db2.gz DLNDUKNKKPVWTG-UWVGGRQHSA-N 2 0 182.311 1.659 10 0 ADAERP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 530218918 352188349 /nfs/dbraw/zinc/18/83/49/352188349.db2.gz JYOCWXAUQZKLHN-ONGXEEELSA-N 2 0 194.322 1.659 10 0 ADAERP C[NH+](C)C1(C2CC2)CC[NH2+]CC1 536952133 352190871 /nfs/dbraw/zinc/19/08/71/352190871.db2.gz AUHWXKRWOJNDOM-UHFFFAOYSA-N 2 0 168.284 1.080 10 0 ADAERP CC[NH+](CC)C[C@H]1CC[C@H]([NH3+])CC1 575431720 352201052 /nfs/dbraw/zinc/20/10/52/352201052.db2.gz HPSXCZWLDKZABH-XYPYZODXSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]CCCC[C@H]([NH3+])c1ccccc1F 575437993 352202880 /nfs/dbraw/zinc/20/28/80/352202880.db2.gz BFFHPNYMTFRTMW-NSHDSACASA-N 2 0 196.269 1.955 10 0 ADAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(O)cc1 575438920 352203111 /nfs/dbraw/zinc/20/31/11/352203111.db2.gz NPAIVMSZNZKJPX-SNVBAGLBSA-N 2 0 180.251 1.131 10 0 ADAERP [NH3+]CCC[C@H]([NH3+])c1ccc(O)c(F)c1 575438982 352203160 /nfs/dbraw/zinc/20/31/60/352203160.db2.gz NRXGJZOVGCBEPR-VIFPVBQESA-N 2 0 198.241 1.270 10 0 ADAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(F)cc1 575438801 352203187 /nfs/dbraw/zinc/20/31/87/352203187.db2.gz MQQPRUVZCABIDT-LLVKDONJSA-N 2 0 196.269 1.955 10 0 ADAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(O)cc1 575438768 352203204 /nfs/dbraw/zinc/20/32/04/352203204.db2.gz IXOWYIFNAIYGKJ-LLVKDONJSA-N 2 0 194.278 1.521 10 0 ADAERP Cc1cc([C@@H]([NH3+])CC[NH3+])ccc1Cl 575438125 352203234 /nfs/dbraw/zinc/20/32/34/352203234.db2.gz GHVVROOXZSDGSK-JTQLQIEISA-N 2 0 198.697 1.997 10 0 ADAERP [NH3+]CCC[C@H]([NH3+])c1ccc(O)cc1 575438980 352203250 /nfs/dbraw/zinc/20/32/50/352203250.db2.gz NPAIVMSZNZKJPX-JTQLQIEISA-N 2 0 180.251 1.131 10 0 ADAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(O)c(F)c1 575438923 352203270 /nfs/dbraw/zinc/20/32/70/352203270.db2.gz NRXGJZOVGCBEPR-SECBINFHSA-N 2 0 198.241 1.270 10 0 ADAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(F)c1 575438984 352203278 /nfs/dbraw/zinc/20/32/78/352203278.db2.gz NVVJPXXZBOUONL-NSHDSACASA-N 2 0 196.269 1.955 10 0 ADAERP Cc1cc([C@H]([NH3+])CCC[NH3+])ccc1O 575438353 352203282 /nfs/dbraw/zinc/20/32/82/352203282.db2.gz IZFWHYMEIMUJPX-SNVBAGLBSA-N 2 0 194.278 1.439 10 0 ADAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(O)cc1 575438350 352203294 /nfs/dbraw/zinc/20/32/94/352203294.db2.gz IXOWYIFNAIYGKJ-NSHDSACASA-N 2 0 194.278 1.521 10 0 ADAERP Cc1cc([C@@H]([NH3+])CCC[NH3+])ccc1O 575438342 352203302 /nfs/dbraw/zinc/20/33/02/352203302.db2.gz IZFWHYMEIMUJPX-JTQLQIEISA-N 2 0 194.278 1.439 10 0 ADAERP Cc1cc([C@H]([NH3+])CC[NH3+])ccc1Cl 575438259 352203315 /nfs/dbraw/zinc/20/33/15/352203315.db2.gz GHVVROOXZSDGSK-SNVBAGLBSA-N 2 0 198.697 1.997 10 0 ADAERP COc1cc([C@@H]([NH3+])CC[NH3+])ccc1C 575438603 352203325 /nfs/dbraw/zinc/20/33/25/352203325.db2.gz LPUILCFEBPSTRV-JTQLQIEISA-N 2 0 194.278 1.352 10 0 ADAERP [NH3+]CCCC[C@@H]([NH3+])c1ccccc1F 575438709 352203385 /nfs/dbraw/zinc/20/33/85/352203385.db2.gz BFFHPNYMTFRTMW-LLVKDONJSA-N 2 0 196.269 1.955 10 0 ADAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(F)cc1 575438650 352203500 /nfs/dbraw/zinc/20/35/00/352203500.db2.gz MQQPRUVZCABIDT-NSHDSACASA-N 2 0 196.269 1.955 10 0 ADAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(F)c1 575438925 352203506 /nfs/dbraw/zinc/20/35/06/352203506.db2.gz NVVJPXXZBOUONL-LLVKDONJSA-N 2 0 196.269 1.955 10 0 ADAERP Cc1ccc(F)c([C@H]([NH3+])CCC[NH3+])c1 575438802 352203508 /nfs/dbraw/zinc/20/35/08/352203508.db2.gz APYVOBVSHYCQJG-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(O)c1 575438726 352203527 /nfs/dbraw/zinc/20/35/27/352203527.db2.gz DURZDCHRHLEHPM-SNVBAGLBSA-N 2 0 180.251 1.131 10 0 ADAERP [NH3+]CCC[C@H]([NH3+])c1cccc(O)c1 575438097 352203621 /nfs/dbraw/zinc/20/36/21/352203621.db2.gz DURZDCHRHLEHPM-JTQLQIEISA-N 2 0 180.251 1.131 10 0 ADAERP Cc1cc([C@H]([NH3+])CC[NH3+])ccc1O 575439037 352203873 /nfs/dbraw/zinc/20/38/73/352203873.db2.gz OVHGEXSQIDFVLO-SECBINFHSA-N 2 0 180.251 1.049 10 0 ADAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(O)c1 575439206 352203914 /nfs/dbraw/zinc/20/39/14/352203914.db2.gz YPWCVRBBGTXRBU-LLVKDONJSA-N 2 0 194.278 1.521 10 0 ADAERP Cc1cc(F)ccc1[C@H]([NH3+])CCC[NH3+] 575439428 352203955 /nfs/dbraw/zinc/20/39/55/352203955.db2.gz KKCQTEJWSHZLJB-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP [NH3+]CCC[C@H]([NH3+])c1ccc(O)cc1F 575439858 352203968 /nfs/dbraw/zinc/20/39/68/352203968.db2.gz WISPIDCFKOMKNT-JTQLQIEISA-N 2 0 198.241 1.270 10 0 ADAERP Cc1cc([C@@H]([NH3+])CC[NH3+])ccc1O 575439039 352204039 /nfs/dbraw/zinc/20/40/39/352204039.db2.gz OVHGEXSQIDFVLO-VIFPVBQESA-N 2 0 180.251 1.049 10 0 ADAERP Cc1ccc(F)cc1[C@H]([NH3+])CCC[NH3+] 575439968 352204055 /nfs/dbraw/zinc/20/40/55/352204055.db2.gz PRQJZCWMIHJEJF-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])c(F)c1 575439453 352204082 /nfs/dbraw/zinc/20/40/82/352204082.db2.gz MGHLKFVSMARPBC-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP COc1cc([C@H]([NH3+])CC[NH3+])ccc1C 575439442 352204102 /nfs/dbraw/zinc/20/41/02/352204102.db2.gz LPUILCFEBPSTRV-SNVBAGLBSA-N 2 0 194.278 1.352 10 0 ADAERP Cc1ccc(F)c([C@@H]([NH3+])CCC[NH3+])c1 575439490 352204109 /nfs/dbraw/zinc/20/41/09/352204109.db2.gz APYVOBVSHYCQJG-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(O)cc1F 575439167 352204172 /nfs/dbraw/zinc/20/41/72/352204172.db2.gz WISPIDCFKOMKNT-SNVBAGLBSA-N 2 0 198.241 1.270 10 0 ADAERP Cc1c(F)cccc1[C@@H]([NH3+])CCC[NH3+] 575440403 352204558 /nfs/dbraw/zinc/20/45/58/352204558.db2.gz SVJIAIZCLDJCAZ-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP Cc1c(F)cccc1[C@H]([NH3+])CCC[NH3+] 575440073 352204616 /nfs/dbraw/zinc/20/46/16/352204616.db2.gz SVJIAIZCLDJCAZ-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])cc1F 575440122 352204649 /nfs/dbraw/zinc/20/46/49/352204649.db2.gz VKWSXLMTFGMMQT-LLVKDONJSA-N 2 0 196.269 1.873 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])c(F)c1 575440172 352204673 /nfs/dbraw/zinc/20/46/73/352204673.db2.gz MGHLKFVSMARPBC-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(O)c1 575439990 352204806 /nfs/dbraw/zinc/20/48/06/352204806.db2.gz YPWCVRBBGTXRBU-NSHDSACASA-N 2 0 194.278 1.521 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])cc1F 575440450 352204847 /nfs/dbraw/zinc/20/48/47/352204847.db2.gz VKWSXLMTFGMMQT-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP Cc1ccc(F)cc1[C@@H]([NH3+])CCC[NH3+] 575440357 352204851 /nfs/dbraw/zinc/20/48/51/352204851.db2.gz PRQJZCWMIHJEJF-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP Cc1cc(F)ccc1[C@@H]([NH3+])CCC[NH3+] 575440147 352204939 /nfs/dbraw/zinc/20/49/39/352204939.db2.gz KKCQTEJWSHZLJB-NSHDSACASA-N 2 0 196.269 1.873 10 0 ADAERP C1C[NH+](C2CC2)CCC1C1C[NH2+]C1 575441117 352205595 /nfs/dbraw/zinc/20/55/95/352205595.db2.gz AXIYMIXXAIFXQP-UHFFFAOYSA-N 2 0 180.295 1.080 10 0 ADAERP CC(C)[N@@H+]1CC[C@@](C)(C(=[NH2+])NO)C1 575450339 352208863 /nfs/dbraw/zinc/20/88/63/352208863.db2.gz ASBYWIKHPHOMQH-SECBINFHSA-N 2 0 185.271 1.063 10 0 ADAERP CC(C)[N@@H+]1CC[C@](C)(C(=[NH2+])NO)C1 575450340 352208988 /nfs/dbraw/zinc/20/89/88/352208988.db2.gz ASBYWIKHPHOMQH-VIFPVBQESA-N 2 0 185.271 1.063 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](F)C2)C1 575450431 352209512 /nfs/dbraw/zinc/20/95/12/352209512.db2.gz AVBWJXJDNSPYGM-LPEHRKFASA-N 2 0 186.274 1.158 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](F)C2)C1 575450430 352209523 /nfs/dbraw/zinc/20/95/23/352209523.db2.gz AVBWJXJDNSPYGM-BBBLOLIVSA-N 2 0 186.274 1.158 10 0 ADAERP [NH3+]C1CC([N@@H+]2CC[C@H](C(F)F)C2)C1 575452070 352216957 /nfs/dbraw/zinc/21/69/57/352216957.db2.gz IWSHHYRIJSJFOP-KKMMWDRVSA-N 2 0 190.237 1.063 10 0 ADAERP [NH3+]C1CC([N@@H+]2CC[C@@H](C(F)F)C2)C1 575452069 352217184 /nfs/dbraw/zinc/21/71/84/352217184.db2.gz IWSHHYRIJSJFOP-JECWYVHBSA-N 2 0 190.237 1.063 10 0 ADAERP [NH3+][C@@H]1CC=C(C[NH+]2CCSCC2)C1 575453031 352218146 /nfs/dbraw/zinc/21/81/46/352218146.db2.gz DGFRXFSXFAQYBB-SNVBAGLBSA-N 2 0 198.335 1.083 10 0 ADAERP [NH3+][C@H]1CC=C(C[NH+]2CCSCC2)C1 575453030 352218175 /nfs/dbraw/zinc/21/81/75/352218175.db2.gz DGFRXFSXFAQYBB-JTQLQIEISA-N 2 0 198.335 1.083 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(F)CC2)C1 575453645 352221177 /nfs/dbraw/zinc/22/11/77/352221177.db2.gz ACPMHQVFADJGAC-WAAGHKOSSA-N 2 0 186.274 1.158 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC=C(F)C2)C1 575460439 352243160 /nfs/dbraw/zinc/24/31/60/352243160.db2.gz RCSMBYLOUXGUPT-WAAGHKOSSA-N 2 0 184.258 1.283 10 0 ADAERP [NH3+][C@@H]1CC=C(C[N@H+]2CC=CCC2)C1 575460637 352243636 /nfs/dbraw/zinc/24/36/36/352243636.db2.gz QDQQECFWGJJVNN-LLVKDONJSA-N 2 0 178.279 1.296 10 0 ADAERP [NH3+][C@H]1CC=C(C[N@H+]2CC=CCC2)C1 575460638 352243967 /nfs/dbraw/zinc/24/39/67/352243967.db2.gz QDQQECFWGJJVNN-NSHDSACASA-N 2 0 178.279 1.296 10 0 ADAERP C[NH2+]CC12CCC[NH+](CCC1)C2 575460624 352244043 /nfs/dbraw/zinc/24/40/43/352244043.db2.gz IRLNPQYPGXZUDP-UHFFFAOYSA-N 2 0 168.284 1.082 10 0 ADAERP C/C=C/CN1CCCCC[C@@H]([NH3+])C1 575465115 352261462 /nfs/dbraw/zinc/26/14/62/352261462.db2.gz UJFNVPYOTWKNNA-KXMPLOMGSA-N 2 0 182.311 1.766 10 0 ADAERP C/C=C/CN1CCCCC[C@H]([NH3+])C1 575465116 352261701 /nfs/dbraw/zinc/26/17/01/352261701.db2.gz UJFNVPYOTWKNNA-VUDBWIFFSA-N 2 0 182.311 1.766 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1CC1=CC[C@H]([NH3+])C1 575467112 352269554 /nfs/dbraw/zinc/26/95/54/352269554.db2.gz XEBYTEDYFVQCHX-YWVKMMECSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@@H]1C[N@H+](CC2=CC[C@H]([NH3+])C2)[C@@H]1C 575467110 352269565 /nfs/dbraw/zinc/26/95/65/352269565.db2.gz XEBYTEDYFVQCHX-KKZNHRDASA-N 2 0 180.295 1.374 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1CC1=CC[C@@H]([NH3+])C1 575467111 352269884 /nfs/dbraw/zinc/26/98/84/352269884.db2.gz XEBYTEDYFVQCHX-WCABBAIRSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@@H]1C[N@H+](CC2=CC[C@@H]([NH3+])C2)[C@@H]1C 575467109 352269955 /nfs/dbraw/zinc/26/99/55/352269955.db2.gz XEBYTEDYFVQCHX-FXPVBKGRSA-N 2 0 180.295 1.374 10 0 ADAERP [NH3+][C@H]1CC[C@H]([NH+]2CCC(F)CC2)C1 575468022 352272496 /nfs/dbraw/zinc/27/24/96/352272496.db2.gz QJXKNYYBLDSOBX-UWVGGRQHSA-N 2 0 186.274 1.300 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCC(F)CC2)C1 575468023 352272569 /nfs/dbraw/zinc/27/25/69/352272569.db2.gz QJXKNYYBLDSOBX-VHSXEESVSA-N 2 0 186.274 1.300 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CCC(F)CC2)C1 575468021 352272689 /nfs/dbraw/zinc/27/26/89/352272689.db2.gz QJXKNYYBLDSOBX-NXEZZACHSA-N 2 0 186.274 1.300 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH+]2CCC(F)CC2)C1 575468024 352272809 /nfs/dbraw/zinc/27/28/09/352272809.db2.gz QJXKNYYBLDSOBX-ZJUUUORDSA-N 2 0 186.274 1.300 10 0 ADAERP CC(=[NH2+])N[C@@H]1CC[N@@H+](C(C)(C)C)C1 575468971 352277028 /nfs/dbraw/zinc/27/70/28/352277028.db2.gz GJXSOJHFYFDJJG-SECBINFHSA-N 2 0 183.299 1.446 10 0 ADAERP CC(=[NH2+])N[C@H]1CC[N@@H+](C(C)(C)C)C1 575468972 352277035 /nfs/dbraw/zinc/27/70/35/352277035.db2.gz GJXSOJHFYFDJJG-VIFPVBQESA-N 2 0 183.299 1.446 10 0 ADAERP [NH3+][C@H]1CC=C(C[N@@H+]2CC[C@@H](F)C2)C1 575469348 352279344 /nfs/dbraw/zinc/27/93/44/352279344.db2.gz USSOIDGVKFMSMN-ZJUUUORDSA-N 2 0 184.258 1.078 10 0 ADAERP [NH3+][C@@H]1CC=C(C[N@@H+]2CC[C@@H](F)C2)C1 575469345 352279364 /nfs/dbraw/zinc/27/93/64/352279364.db2.gz USSOIDGVKFMSMN-NXEZZACHSA-N 2 0 184.258 1.078 10 0 ADAERP [NH3+][C@H]1CC=C(C[N@@H+]2CC[C@H](F)C2)C1 575469346 352279417 /nfs/dbraw/zinc/27/94/17/352279417.db2.gz USSOIDGVKFMSMN-UWVGGRQHSA-N 2 0 184.258 1.078 10 0 ADAERP [NH3+][C@@H]1CC=C(C[N@@H+]2CC[C@H](F)C2)C1 575469347 352279696 /nfs/dbraw/zinc/27/96/96/352279696.db2.gz USSOIDGVKFMSMN-VHSXEESVSA-N 2 0 184.258 1.078 10 0 ADAERP [NH3+][C@@H]1CC=C(C[NH+]2CCCC2)C1 575478345 352294617 /nfs/dbraw/zinc/29/46/17/352294617.db2.gz BLIOYERDFAFGPO-SNVBAGLBSA-N 2 0 166.268 1.130 10 0 ADAERP [NH3+][C@H]1CC=C(C[NH+]2CCCC2)C1 575478344 352294781 /nfs/dbraw/zinc/29/47/81/352294781.db2.gz BLIOYERDFAFGPO-JTQLQIEISA-N 2 0 166.268 1.130 10 0 ADAERP [NH3+]C[C@@H]1CC[N@@H+]([C@]23CCC[C@H]2C3)C1 575478520 352296054 /nfs/dbraw/zinc/29/60/54/352296054.db2.gz AVPBOTPHGHALNB-DCAQKATOSA-N 2 0 180.295 1.210 10 0 ADAERP [NH3+]C[C@@H]1CC[N@@H+]([C@@]23CCC[C@@H]2C3)C1 575478522 352296142 /nfs/dbraw/zinc/29/61/42/352296142.db2.gz AVPBOTPHGHALNB-HBNTYKKESA-N 2 0 180.295 1.210 10 0 ADAERP CC1C[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)C1 575478721 352296499 /nfs/dbraw/zinc/29/64/99/352296499.db2.gz KKMMSSYRGNQYEP-SNVBAGLBSA-N 2 0 182.311 1.469 10 0 ADAERP CC1C[NH+]([C@H]2CC[NH2+]C(C)(C)C2)C1 575478720 352296638 /nfs/dbraw/zinc/29/66/38/352296638.db2.gz KKMMSSYRGNQYEP-JTQLQIEISA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC3(CC3)C2)C1 575479001 352298088 /nfs/dbraw/zinc/29/80/88/352298088.db2.gz LIUWXYBTBGQMRJ-AOOOYVTPSA-N 2 0 180.295 1.210 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[C@H]3C2)C1 575479130 352298779 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575485182 352330797 /nfs/dbraw/zinc/33/07/97/352330797.db2.gz LFLBFHFJRRKPHW-XYPYZODXSA-N 2 0 180.295 1.376 10 0 ADAERP CC(C)[N@H+](C)C[C@H]1C[C@H]([NH3+])C1 575485867 352332994 /nfs/dbraw/zinc/33/29/94/352332994.db2.gz RQOMYOVHDKFGKQ-KYZUINATSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 575486010 352334426 /nfs/dbraw/zinc/33/44/26/352334426.db2.gz TYDTWVVBYFZZHQ-GMTAPVOTSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 575486008 352334511 /nfs/dbraw/zinc/33/45/11/352334511.db2.gz TYDTWVVBYFZZHQ-DCAQKATOSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1C[NH+](C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C 575486325 352336069 /nfs/dbraw/zinc/33/60/69/352336069.db2.gz VNLCAZFGSHAZRA-NAKRPEOUSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[NH+](C[C@H]2C[C@H]([NH3+])C2)C[C@H]1C 575486323 352336331 /nfs/dbraw/zinc/33/63/31/352336331.db2.gz VNLCAZFGSHAZRA-GWOFURMSSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C 575486321 352336342 /nfs/dbraw/zinc/33/63/42/352336342.db2.gz VNLCAZFGSHAZRA-BIBSGERRSA-N 2 0 182.311 1.312 10 0 ADAERP CC1(C)C[NH+](C[C@H]2C[C@H]([NH3+])C2)C1 575486491 352336732 /nfs/dbraw/zinc/33/67/32/352336732.db2.gz XBHLKWYPZDYAAU-KYZUINATSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@H]1CC[NH2+]C[C@H]1C[NH+]1CCCC1 575487424 352342429 /nfs/dbraw/zinc/34/24/29/352342429.db2.gz CMSCRSMUFVVXDW-QWRGUYRKSA-N 2 0 182.311 1.328 10 0 ADAERP C[C@H]1CC[NH2+]C[C@@H]1C[NH+]1CCCC1 575487425 352342531 /nfs/dbraw/zinc/34/25/31/352342531.db2.gz CMSCRSMUFVVXDW-WDEREUQCSA-N 2 0 182.311 1.328 10 0 ADAERP C[C@@H]1CC[NH2+]C[C@H]1C[NH+]1CCCC1 575487423 352342551 /nfs/dbraw/zinc/34/25/51/352342551.db2.gz CMSCRSMUFVVXDW-MNOVXSKESA-N 2 0 182.311 1.328 10 0 ADAERP C[C@@H]1CC[NH2+]C[C@@H]1C[NH+]1CCCC1 575487422 352342862 /nfs/dbraw/zinc/34/28/62/352342862.db2.gz CMSCRSMUFVVXDW-GHMZBOCLSA-N 2 0 182.311 1.328 10 0 ADAERP C[C@H]1CC[NH2+]C[C@@H]1C[NH+]1CC=CC1 575488421 352348711 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CC[C@@H]1CCCCC[C@]1([NH3+])C[NH3+] 575490160 352355877 /nfs/dbraw/zinc/35/58/77/352355877.db2.gz YIQUVZUORJUFRP-ZJUUUORDSA-N 2 0 170.300 1.633 10 0 ADAERP CC[C@@H]1CCCCC[C@@]1([NH3+])C[NH3+] 575490157 352356080 /nfs/dbraw/zinc/35/60/80/352356080.db2.gz YIQUVZUORJUFRP-NXEZZACHSA-N 2 0 170.300 1.633 10 0 ADAERP CC[C@H]1CCCCC[C@]1([NH3+])C[NH3+] 575490158 352356090 /nfs/dbraw/zinc/35/60/90/352356090.db2.gz YIQUVZUORJUFRP-UWVGGRQHSA-N 2 0 170.300 1.633 10 0 ADAERP CC[C@H]1CCCCC[C@@]1([NH3+])C[NH3+] 575490159 352356199 /nfs/dbraw/zinc/35/61/99/352356199.db2.gz YIQUVZUORJUFRP-VHSXEESVSA-N 2 0 170.300 1.633 10 0 ADAERP [NH3+]CC12CC(C[N@@H+]1C1CCCC1)C2 575490876 352359417 /nfs/dbraw/zinc/35/94/17/352359417.db2.gz WJHYLEKEHLIQNY-UHFFFAOYSA-N 2 0 180.295 1.352 10 0 ADAERP CC[C@@](C)(C[NH3+])N1CC(C)C1 575493442 352372988 /nfs/dbraw/zinc/37/29/88/352372988.db2.gz CSICQGKQEXANPU-VIFPVBQESA-N 2 0 156.273 1.066 10 0 ADAERP CC[C@](C)(C[NH3+])N1CC(C)C1 575493439 352373087 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RNRCYDDLRZZCLD-GHMZBOCLSA-N 2 0 182.311 1.600 10 0 ADAERP C[C@@]1(C[NH+]2CCC2)CCCC[C@@H]1[NH3+] 575496763 352386576 /nfs/dbraw/zinc/38/65/76/352386576.db2.gz RNRCYDDLRZZCLD-QWRGUYRKSA-N 2 0 182.311 1.600 10 0 ADAERP [NH3+]C1CC(C[NH+]2CCC(F)CC2)C1 575496774 352386683 /nfs/dbraw/zinc/38/66/83/352386683.db2.gz ACPMHQVFADJGAC-UHFFFAOYSA-N 2 0 186.274 1.158 10 0 ADAERP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496901 352387472 /nfs/dbraw/zinc/38/74/72/352387472.db2.gz CAHZIPRDSQVFKG-DBIOUOCHSA-N 2 0 182.311 1.454 10 0 ADAERP CC[N@@H+]1C[C@@H](C[NH3+])C2(CCC2)C1 575496933 352387533 /nfs/dbraw/zinc/38/75/33/352387533.db2.gz CPCIYIQKOFYELV-SECBINFHSA-N 2 0 168.284 1.067 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575496903 352387637 /nfs/dbraw/zinc/38/76/37/352387637.db2.gz CAHZIPRDSQVFKG-YTWAJWBKSA-N 2 0 182.311 1.454 10 0 ADAERP CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 575496917 352387641 /nfs/dbraw/zinc/38/76/41/352387641.db2.gz CHLGSYLEQOGLEM-PHIMTYICSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496904 352387660 /nfs/dbraw/zinc/38/76/60/352387660.db2.gz CAHZIPRDSQVFKG-ZRUFSTJUSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496902 352387705 /nfs/dbraw/zinc/38/77/05/352387705.db2.gz CAHZIPRDSQVFKG-XWLWVQCSSA-N 2 0 182.311 1.454 10 0 ADAERP CC1(C)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 575497099 352388416 /nfs/dbraw/zinc/38/84/16/352388416.db2.gz CSJVWDBZGPKUSK-AOOOYVTPSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497117 352388405 /nfs/dbraw/zinc/38/84/05/352388405.db2.gz DJDRKWPZUHXOMN-LPEHRKFASA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497116 352388408 /nfs/dbraw/zinc/38/84/08/352388408.db2.gz DJDRKWPZUHXOMN-BBBLOLIVSA-N 2 0 168.284 1.066 10 0 ADAERP CC[N@@H+]1C[C@H](C[NH3+])C2(CCC2)C1 575497085 352388429 /nfs/dbraw/zinc/38/84/29/352388429.db2.gz CPCIYIQKOFYELV-VIFPVBQESA-N 2 0 168.284 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182.311 1.456 10 0 ADAERP CC1C[NH+](C[C@]2(C)CCC[C@@H]2[NH3+])C1 575535136 352577871 /nfs/dbraw/zinc/57/78/71/352577871.db2.gz VSTYZLFFIDTNJT-QWRGUYRKSA-N 2 0 182.311 1.456 10 0 ADAERP CC1C[NH+](C[C@@]2(C)CCC[C@@H]2[NH3+])C1 575535138 352577971 /nfs/dbraw/zinc/57/79/71/352577971.db2.gz VSTYZLFFIDTNJT-WDEREUQCSA-N 2 0 182.311 1.456 10 0 ADAERP CC1C[NH+](C[C@@]2(C)CCC[C@H]2[NH3+])C1 575535132 352578034 /nfs/dbraw/zinc/57/80/34/352578034.db2.gz VSTYZLFFIDTNJT-GHMZBOCLSA-N 2 0 182.311 1.456 10 0 ADAERP Cn1cncc1-c1cc(C[NH3+])cs1 575535192 352578545 /nfs/dbraw/zinc/57/85/45/352578545.db2.gz WUNBOTOIEKEMRQ-UHFFFAOYSA-N 2 0 193.275 1.607 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@](C)(C[NH3+])C1 575536982 352587642 /nfs/dbraw/zinc/58/76/42/352587642.db2.gz BRFNJSKCSFTHRO-JTQLQIEISA-N 2 0 170.300 1.456 10 0 ADAERP CC(C)[N@@H+]1CCC[C@](C)(C[NH3+])C1 575536985 352587779 /nfs/dbraw/zinc/58/77/79/352587779.db2.gz BRFNJSKCSFTHRO-SNVBAGLBSA-N 2 0 170.300 1.456 10 0 ADAERP [NH3+]C1(C[N@@H+]2C[C@H]3CCC[C@H]32)CCC1 575537236 352588689 /nfs/dbraw/zinc/58/86/89/352588689.db2.gz CWRWJUHWPCVGFT-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575537217 352588759 /nfs/dbraw/zinc/58/87/59/352588759.db2.gz CMEPGKBBBBGQIS-RCWTZXSCSA-N 2 0 180.295 1.208 10 0 ADAERP CC1CC(C[NH3+])([N@@H+]2CC[C@H]3C[C@H]32)C1 575537265 352588772 /nfs/dbraw/zinc/58/87/72/352588772.db2.gz DMBSUBKHXBPXOW-LIZLNQBYSA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+]C1(C[N@@H+]2C[C@@H]3CCC[C@H]32)CCC1 575537238 352588853 /nfs/dbraw/zinc/58/88/53/352588853.db2.gz CWRWJUHWPCVGFT-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C1(C[N@@H+]2C[C@H]3CCC[C@@H]32)CCC1 575537239 352588878 /nfs/dbraw/zinc/58/88/78/352588878.db2.gz CWRWJUHWPCVGFT-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C1(C[N@@H+]2C[C@@H]3CCC[C@@H]32)CCC1 575537237 352588916 /nfs/dbraw/zinc/58/89/16/352588916.db2.gz CWRWJUHWPCVGFT-UWVGGRQHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575537219 352588970 /nfs/dbraw/zinc/58/89/70/352588970.db2.gz CMEPGKBBBBGQIS-XWLWVQCSSA-N 2 0 180.295 1.208 10 0 ADAERP CC1CC(C[NH3+])([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575537267 352589509 /nfs/dbraw/zinc/58/95/09/352589509.db2.gz DMBSUBKHXBPXOW-WIFZPCQCSA-N 2 0 180.295 1.208 10 0 ADAERP C[C@@H]([NH3+])C[N@@H+]1CCC12CCCCC2 575537791 352591694 /nfs/dbraw/zinc/59/16/94/352591694.db2.gz ITYWVRDIBSTTIC-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP C[C@H]([NH3+])C[N@@H+]1CCC12CCCCC2 575537789 352591744 /nfs/dbraw/zinc/59/17/44/352591744.db2.gz ITYWVRDIBSTTIC-JTQLQIEISA-N 2 0 182.311 1.742 10 0 ADAERP [NH3+][C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575538269 352594106 /nfs/dbraw/zinc/59/41/06/352594106.db2.gz LZZDPTXHMQDNNK-ZRUFSTJUSA-N 2 0 180.295 1.351 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575538279 352594118 /nfs/dbraw/zinc/59/41/18/352594118.db2.gz MBFDLQMHQRZFEZ-ZNSHCXBVSA-N 2 0 180.295 1.351 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575538281 352594403 /nfs/dbraw/zinc/59/44/03/352594403.db2.gz MBFDLQMHQRZFEZ-ZRUFSTJUSA-N 2 0 180.295 1.351 10 0 ADAERP [NH3+][C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575538268 352594455 /nfs/dbraw/zinc/59/44/55/352594455.db2.gz LZZDPTXHMQDNNK-ZNSHCXBVSA-N 2 0 180.295 1.351 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575538433 352594690 /nfs/dbraw/zinc/59/46/90/352594690.db2.gz MKENEVHMMCECME-ZRUFSTJUSA-N 2 0 180.295 1.221 10 0 ADAERP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575538431 352594986 /nfs/dbraw/zinc/59/49/86/352594986.db2.gz MKENEVHMMCECME-ZNSHCXBVSA-N 2 0 180.295 1.221 10 0 ADAERP C[NH2+][C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575538797 352596049 /nfs/dbraw/zinc/59/60/49/352596049.db2.gz QDJJZHXNFHKRKY-ZRUFSTJUSA-N 2 0 180.295 1.221 10 0 ADAERP C[NH2+][C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575538796 352596091 /nfs/dbraw/zinc/59/60/91/352596091.db2.gz QDJJZHXNFHKRKY-ZNSHCXBVSA-N 2 0 180.295 1.221 10 0 ADAERP CCC[NH+]1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 575539368 352599153 /nfs/dbraw/zinc/59/91/53/352599153.db2.gz VBLVRGCIHCWCFJ-GHMZBOCLSA-N 2 0 182.311 1.328 10 0 ADAERP CCC[NH+]1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 575539373 352599316 /nfs/dbraw/zinc/59/93/16/352599316.db2.gz VBLVRGCIHCWCFJ-QWRGUYRKSA-N 2 0 182.311 1.328 10 0 ADAERP [NH3+]CC1([N@@H+]2CC[C@H]3C[C@H]32)CCCC1 575539714 352601559 /nfs/dbraw/zinc/60/15/59/352601559.db2.gz ZTRXUFMIPPECNZ-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]CC1([N@@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575539715 352601479 /nfs/dbraw/zinc/60/14/79/352601479.db2.gz ZTRXUFMIPPECNZ-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP C1C[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3C[C@H]32)C1 575540914 352605647 /nfs/dbraw/zinc/60/56/47/352605647.db2.gz BVUSRJGOVLBXLE-GARJFASQSA-N 2 0 180.295 1.080 10 0 ADAERP C1C[NH2+]C[C@@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)C1 575540910 352605971 /nfs/dbraw/zinc/60/59/71/352605971.db2.gz BVUSRJGOVLBXLE-AXFHLTTASA-N 2 0 180.295 1.080 10 0 ADAERP CC1C[NH+](C[C@H]2CC[C@H]([NH3+])CC2)C1 575541091 352606173 /nfs/dbraw/zinc/60/61/73/352606173.db2.gz ABBSYFZZWCGJOZ-XYPYZODXSA-N 2 0 182.311 1.456 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CC[C@H]1C[NH3+] 575541098 352606277 /nfs/dbraw/zinc/60/62/77/352606277.db2.gz DWZXHQWRUYMSQX-DTWKUNHWSA-N 2 0 168.284 1.208 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CC[C@@H]1C[NH3+] 575541097 352606321 /nfs/dbraw/zinc/60/63/21/352606321.db2.gz DWZXHQWRUYMSQX-BDAKNGLRSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1CC[N@@H+]1C[C@H]1CC[C@H]([NH3+])CC1 575541145 352606468 /nfs/dbraw/zinc/60/64/68/352606468.db2.gz BANAAVBFGSTQDT-GMTAPVOTSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CC[N@@H+]1C[C@H]1CC[C@H]([NH3+])CC1 575541144 352606515 /nfs/dbraw/zinc/60/65/15/352606515.db2.gz BANAAVBFGSTQDT-DCAQKATOSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575541135 352606542 /nfs/dbraw/zinc/60/65/42/352606542.db2.gz AYUUYLYBOQGDDZ-ZNSHCXBVSA-N 2 0 180.295 1.079 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 575541101 352606567 /nfs/dbraw/zinc/60/65/67/352606567.db2.gz DWZXHQWRUYMSQX-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575541134 352606608 /nfs/dbraw/zinc/60/66/08/352606608.db2.gz AYUUYLYBOQGDDZ-VPOLOUISSA-N 2 0 180.295 1.079 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CC[C@H]1C[NH3+] 575541100 352606640 /nfs/dbraw/zinc/60/66/40/352606640.db2.gz DWZXHQWRUYMSQX-IUCAKERBSA-N 2 0 168.284 1.208 10 0 ADAERP CC1(C)[C@@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C[C@H]1[NH3+] 575541304 352606985 /nfs/dbraw/zinc/60/69/85/352606985.db2.gz FBQDFYSBULEEGN-RGOKHQFPSA-N 2 0 180.295 1.206 10 0 ADAERP CC1(C)[C@@H]([N@@H+]2CC[C@H]3C[C@H]32)C[C@H]1[NH3+] 575541298 352607117 /nfs/dbraw/zinc/60/71/17/352607117.db2.gz FBQDFYSBULEEGN-JLIMGVALSA-N 2 0 180.295 1.206 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575541309 352607195 /nfs/dbraw/zinc/60/71/95/352607195.db2.gz FCHZDVJQKCQTKJ-ZDCRXTMVSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575541308 352607214 /nfs/dbraw/zinc/60/72/14/352607214.db2.gz FCHZDVJQKCQTKJ-UKKRHICBSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2C[C@@H]21 575541427 352607749 /nfs/dbraw/zinc/60/77/49/352607749.db2.gz GVKQMBOTPRFKCH-DBIOUOCHSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2C[C@H]21 575541436 352607966 /nfs/dbraw/zinc/60/79/66/352607966.db2.gz GVKQMBOTPRFKCH-LMLFDSFASA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]([C@H](C)C[NH3+])[N@@H+]1CC[C@H]1C 575541555 352607981 /nfs/dbraw/zinc/60/79/81/352607981.db2.gz HYIBYICFOIWNIO-HLTSFMKQSA-N 2 0 156.273 1.064 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575541581 352608241 /nfs/dbraw/zinc/60/82/41/352608241.db2.gz IJSMPIULZYMNAP-DBIOUOCHSA-N 2 0 180.295 1.208 10 0 ADAERP C[C@H]1CC[N@H+]1[C@@H](C)[C@H](C)C[NH3+] 575541560 352608296 /nfs/dbraw/zinc/60/82/96/352608296.db2.gz HYIBYICFOIWNIO-VGMNWLOBSA-N 2 0 156.273 1.064 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575541587 352608489 /nfs/dbraw/zinc/60/84/89/352608489.db2.gz IJSMPIULZYMNAP-LNFKQOIKSA-N 2 0 180.295 1.208 10 0 ADAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CC[C@H]1C 575541558 352608502 /nfs/dbraw/zinc/60/85/02/352608502.db2.gz HYIBYICFOIWNIO-IWSPIJDZSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@H]1CC[N@H+]1[C@H](C)[C@H](C)C[NH3+] 575541557 352608617 /nfs/dbraw/zinc/60/86/17/352608617.db2.gz HYIBYICFOIWNIO-HRDYMLBCSA-N 2 0 156.273 1.064 10 0 ADAERP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575542028 352609469 /nfs/dbraw/zinc/60/94/69/352609469.db2.gz MXQPUPMRQAKNQM-ZNSHCXBVSA-N 2 0 180.295 1.079 10 0 ADAERP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575542026 352609621 /nfs/dbraw/zinc/60/96/21/352609621.db2.gz MXQPUPMRQAKNQM-YTWAJWBKSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)CC[NH2+]1 575542452 352610779 /nfs/dbraw/zinc/61/07/79/352610779.db2.gz UACUWAFHUUDHSO-DBIOUOCHSA-N 2 0 180.295 1.221 10 0 ADAERP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[C@H]32)CC[NH2+]1 575542454 352610863 /nfs/dbraw/zinc/61/08/63/352610863.db2.gz UACUWAFHUUDHSO-LMLFDSFASA-N 2 0 180.295 1.221 10 0 ADAERP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C[NH2+]1 575542668 352611522 /nfs/dbraw/zinc/61/15/22/352611522.db2.gz YHXRQZXNRZOCML-VPOLOUISSA-N 2 0 180.295 1.221 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575542705 352611535 /nfs/dbraw/zinc/61/15/35/352611535.db2.gz YYAGLRKUGAHCAC-XWLWVQCSSA-N 2 0 180.295 1.221 10 0 ADAERP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C[NH2+]1 575542669 352611549 /nfs/dbraw/zinc/61/15/49/352611549.db2.gz YHXRQZXNRZOCML-ZNSHCXBVSA-N 2 0 180.295 1.221 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575542704 352611591 /nfs/dbraw/zinc/61/15/91/352611591.db2.gz YYAGLRKUGAHCAC-VLEAKVRGSA-N 2 0 180.295 1.221 10 0 ADAERP [NH3+]C1(C[N@@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575542806 352612200 /nfs/dbraw/zinc/61/22/00/352612200.db2.gz KQZFEUMMDBIMHB-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP C[C@@H]1CC[N@@H+]1C1(C[NH3+])CCCCC1 575542786 352612258 /nfs/dbraw/zinc/61/22/58/352612258.db2.gz KQPQJEBLIRCBLF-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP [NH3+]CC1([NH+]2CC=CC2)CCCCC1 575542900 352612318 /nfs/dbraw/zinc/61/23/18/352612318.db2.gz LOLSVQDDAWGTBP-UHFFFAOYSA-N 2 0 180.295 1.520 10 0 ADAERP C[C@H]1CC[N@@H+]1C1(C[NH3+])CCCCC1 575542785 352612329 /nfs/dbraw/zinc/61/23/29/352612329.db2.gz KQPQJEBLIRCBLF-JTQLQIEISA-N 2 0 182.311 1.742 10 0 ADAERP C[C@]1(C[N@@H+]2CC[C@H]3C[C@H]32)CC[NH2+]C1 575543170 352613319 /nfs/dbraw/zinc/61/33/19/352613319.db2.gz OKQVRBPULHQVFW-AXFHLTTASA-N 2 0 180.295 1.080 10 0 ADAERP C[C@]1(C[N@@H+]2CC[C@@H]3C[C@@H]32)CC[NH2+]C1 575543173 352613450 /nfs/dbraw/zinc/61/34/50/352613450.db2.gz OKQVRBPULHQVFW-VWYCJHECSA-N 2 0 180.295 1.080 10 0 ADAERP C[NH2+]C[C@H](C)N1CCC1(C)C 575543308 352614264 /nfs/dbraw/zinc/61/42/64/352614264.db2.gz OODZRVXITYLOJF-QMMMGPOBSA-N 2 0 156.273 1.079 10 0 ADAERP C[NH2+]C[C@@H](C)N1CCC1(C)C 575543307 352614282 /nfs/dbraw/zinc/61/42/82/352614282.db2.gz OODZRVXITYLOJF-MRVPVSSYSA-N 2 0 156.273 1.079 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 575543851 352615888 /nfs/dbraw/zinc/61/58/88/352615888.db2.gz BGSRGWJITKVKPV-RKDXNWHRSA-N 2 0 168.284 1.351 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 575543848 352616088 /nfs/dbraw/zinc/61/60/88/352616088.db2.gz BGSRGWJITKVKPV-BDAKNGLRSA-N 2 0 168.284 1.351 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 575543849 352616133 /nfs/dbraw/zinc/61/61/33/352616133.db2.gz BGSRGWJITKVKPV-DTWKUNHWSA-N 2 0 168.284 1.351 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 575543850 352616197 /nfs/dbraw/zinc/61/61/97/352616197.db2.gz BGSRGWJITKVKPV-IUCAKERBSA-N 2 0 168.284 1.351 10 0 ADAERP [NH3+][C@@H]1CC=C(C[N@@H+]2CC[C@H]3C[C@H]32)C1 575544477 352617990 /nfs/dbraw/zinc/61/79/90/352617990.db2.gz WETGPKFJEPFOOL-HBNTYKKESA-N 2 0 178.279 1.128 10 0 ADAERP [NH3+][C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[C@@H]32)C1 575544478 352618030 /nfs/dbraw/zinc/61/80/30/352618030.db2.gz WETGPKFJEPFOOL-MXWKQRLJSA-N 2 0 178.279 1.128 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575544483 352618059 /nfs/dbraw/zinc/61/80/59/352618059.db2.gz WGPWJNMUFOARQU-UKKRHICBSA-N 2 0 180.295 1.079 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575544484 352618338 /nfs/dbraw/zinc/61/83/38/352618338.db2.gz WGPWJNMUFOARQU-ZDCRXTMVSA-N 2 0 180.295 1.079 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCCC[C@H]1[NH3+] 575544678 352618554 /nfs/dbraw/zinc/61/85/54/352618554.db2.gz GJJHWHWEGCGUIK-ZJUUUORDSA-N 2 0 182.311 1.741 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCCC[C@@H]1[NH3+] 575544675 352618906 /nfs/dbraw/zinc/61/89/06/352618906.db2.gz GJJHWHWEGCGUIK-UWVGGRQHSA-N 2 0 182.311 1.741 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 575544677 352618938 /nfs/dbraw/zinc/61/89/38/352618938.db2.gz GJJHWHWEGCGUIK-VHSXEESVSA-N 2 0 182.311 1.741 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 575544674 352618962 /nfs/dbraw/zinc/61/89/62/352618962.db2.gz GJJHWHWEGCGUIK-NXEZZACHSA-N 2 0 182.311 1.741 10 0 ADAERP CC(C)[N@@H+]1CCCCC[C@H](N)C1 575544753 352619341 /nfs/dbraw/zinc/61/93/41/352619341.db2.gz AWUNQXRZPXMWNO-JTQLQIEISA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)[N@@H+]1CCCCC[C@@H](N)C1 575544754 352619654 /nfs/dbraw/zinc/61/96/54/352619654.db2.gz AWUNQXRZPXMWNO-SNVBAGLBSA-N 2 0 170.300 1.598 10 0 ADAERP C[C@@H]1C[C@@]1(C)[N@@H+]1CCC[C@H]([NH3+])C1 575545183 352621402 /nfs/dbraw/zinc/62/14/02/352621402.db2.gz JOGOCTLTWOITMI-KXUCPTDWSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[C@@]1(C)[N@@H+]1CCC[C@@H]([NH3+])C1 575545184 352621566 /nfs/dbraw/zinc/62/15/66/352621566.db2.gz JOGOCTLTWOITMI-OPRDCNLKSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[C@]1(C)[N@@H+]1CCC[C@H]([NH3+])C1 575545185 352621584 /nfs/dbraw/zinc/62/15/84/352621584.db2.gz JOGOCTLTWOITMI-UTLUCORTSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[C@]1(C)[N@@H+]1CCC[C@@H]([NH3+])C1 575545182 352621647 /nfs/dbraw/zinc/62/16/47/352621647.db2.gz 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C[C@@H]1CCN1[C@@H]1CCCCC[NH2+]C1 575546142 352624533 /nfs/dbraw/zinc/62/45/33/352624533.db2.gz NLSUHILAZRCAFN-GHMZBOCLSA-N 2 0 182.311 1.613 10 0 ADAERP C[C@H]1CCN1[C@@H]1CCCCC[NH2+]C1 575546145 352624587 /nfs/dbraw/zinc/62/45/87/352624587.db2.gz NLSUHILAZRCAFN-WDEREUQCSA-N 2 0 182.311 1.613 10 0 ADAERP CC(C)[NH2+][C@@H]1CCCCC[NH2+]C1 575547002 352627031 /nfs/dbraw/zinc/62/70/31/352627031.db2.gz VRNKGGKIRIAGEX-SNVBAGLBSA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)[NH2+][C@H]1CCCCC[NH2+]C1 575547001 352627104 /nfs/dbraw/zinc/62/71/04/352627104.db2.gz VRNKGGKIRIAGEX-JTQLQIEISA-N 2 0 170.300 1.517 10 0 ADAERP CC(C)C[N@@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 575549398 352634759 /nfs/dbraw/zinc/63/47/59/352634759.db2.gz KKBJEYWSPIMSGF-GHMZBOCLSA-N 2 0 182.311 1.184 10 0 ADAERP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C(C)C 575550382 352638131 /nfs/dbraw/zinc/63/81/31/352638131.db2.gz UBMAVNWEPLGSMY-BDAKNGLRSA-N 2 0 156.273 1.125 10 0 ADAERP CC[C@H]1[NH2+]CC[C@H]1[NH2+]C(C)C 575550389 352638241 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JANUUECVPSHZFK-GHMZBOCLSA-N 2 0 182.311 1.742 10 0 ADAERP C[N@@H+]1C[C@@]([NH3+])(C2CC2)CC1(C)C 575553732 352649846 /nfs/dbraw/zinc/64/98/46/352649846.db2.gz GIGUKTAFXBPKEB-SNVBAGLBSA-N 2 0 168.284 1.208 10 0 ADAERP CCC[C@]1([NH3+])CC[N@@H+]2CCCC[C@@H]21 575553800 352649864 /nfs/dbraw/zinc/64/98/64/352649864.db2.gz JANUUECVPSHZFK-MNOVXSKESA-N 2 0 182.311 1.742 10 0 ADAERP CCC[C@@]1([NH3+])CC[N@@H+]2CCCC[C@H]21 575553802 352649871 /nfs/dbraw/zinc/64/98/71/352649871.db2.gz JANUUECVPSHZFK-WDEREUQCSA-N 2 0 182.311 1.742 10 0 ADAERP CC(C)[NH+]1CCC([NH3+])(C2CC2)CC1 575553695 352649920 /nfs/dbraw/zinc/64/99/20/352649920.db2.gz FEXHDNMLXDSPSA-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@@H+]1CCC[C@]([NH3+])(C(C)C)CC1 575553980 352651068 /nfs/dbraw/zinc/65/10/68/352651068.db2.gz CBSBPYKNHKRLAB-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CC[N@@H+]1CCC[C@@]([NH3+])(C(C)C)CC1 575553981 352651223 /nfs/dbraw/zinc/65/12/23/352651223.db2.gz CBSBPYKNHKRLAB-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP 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CKNMLDYZEWMGFW-MWLCHTKSSA-N 2 0 182.311 1.597 10 0 ADAERP CC(C)[C@]1([NH3+])C[C@H](C)[N@@H+](C2CC2)C1 575558308 352667770 /nfs/dbraw/zinc/66/77/70/352667770.db2.gz CKNMLDYZEWMGFW-ONGXEEELSA-N 2 0 182.311 1.597 10 0 ADAERP CC(C)[C@@]1([NH3+])C[C@H](C)[N@@H+](C2CC2)C1 575558298 352667862 /nfs/dbraw/zinc/66/78/62/352667862.db2.gz CKNMLDYZEWMGFW-GXSJLCMTSA-N 2 0 182.311 1.597 10 0 ADAERP CC(C)[C@@]1([NH3+])CC[N@@H+]2CCC[C@@H]2C1 575558683 352669742 /nfs/dbraw/zinc/66/97/42/352669742.db2.gz XWYIJQATRKKCPY-GHMZBOCLSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@]1([NH3+])CC[N@@H+]2CCC[C@H]2C1 575558685 352669781 /nfs/dbraw/zinc/66/97/81/352669781.db2.gz XWYIJQATRKKCPY-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@@]1([NH3+])CC[N@@H+]2CCC[C@H]2C1 575558686 352669795 /nfs/dbraw/zinc/66/97/95/352669795.db2.gz XWYIJQATRKKCPY-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@@H+]1CCC[C@@]([NH3+])(CC)CC1 575558797 352669821 /nfs/dbraw/zinc/66/98/21/352669821.db2.gz YOTAVBKDEUJSOG-JTQLQIEISA-N 2 0 170.300 1.600 10 0 ADAERP CC(C)[C@]1([NH3+])CC[N@@H+]2CCC[C@@H]2C1 575558684 352669869 /nfs/dbraw/zinc/66/98/69/352669869.db2.gz XWYIJQATRKKCPY-MNOVXSKESA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@@H+]1CCC[C@]([NH3+])(CC)CC1 575558800 352669897 /nfs/dbraw/zinc/66/98/97/352669897.db2.gz YOTAVBKDEUJSOG-SNVBAGLBSA-N 2 0 170.300 1.600 10 0 ADAERP CC[N@@H+]1CCC[C@@]([NH3+])(C2CC2)CC1 575558948 352670092 /nfs/dbraw/zinc/67/00/92/352670092.db2.gz ZPIOMWMHXQXWLI-NSHDSACASA-N 2 0 182.311 1.600 10 0 ADAERP C/C=C/C[N@@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575558951 352670106 /nfs/dbraw/zinc/67/01/06/352670106.db2.gz UFHGRBURDAMVDI-SEUFLZDSSA-N 2 0 180.295 1.104 10 0 ADAERP C/C=C/C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 575558947 352670154 /nfs/dbraw/zinc/67/01/54/352670154.db2.gz UFHGRBURDAMVDI-MJKAUQOVSA-N 2 0 180.295 1.104 10 0 ADAERP C/C=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 575558955 352670262 /nfs/dbraw/zinc/67/02/62/352670262.db2.gz UFHGRBURDAMVDI-YIZUVKHSSA-N 2 0 180.295 1.104 10 0 ADAERP CC[N@@H+]1CCC[C@]([NH3+])(C2CC2)CC1 575558944 352670278 /nfs/dbraw/zinc/67/02/78/352670278.db2.gz ZPIOMWMHXQXWLI-LLVKDONJSA-N 2 0 182.311 1.600 10 0 ADAERP C/C=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 575558953 352670337 /nfs/dbraw/zinc/67/03/37/352670337.db2.gz UFHGRBURDAMVDI-YHROSDCASA-N 2 0 180.295 1.104 10 0 ADAERP CC(C)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 575559138 352671490 /nfs/dbraw/zinc/67/14/90/352671490.db2.gz GCACOCLVEWIQRG-JTQLQIEISA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 575559140 352671517 /nfs/dbraw/zinc/67/15/17/352671517.db2.gz GCACOCLVEWIQRG-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP Cn1cncc1C[C@@]1([NH3+])CC1(C)C 575560295 352675605 /nfs/dbraw/zinc/67/56/05/352675605.db2.gz JUZGSPNGKOGIIB-SNVBAGLBSA-N 2 0 179.267 1.090 10 0 ADAERP CC1(C)C[C@@]1(C)N1CC[C@@H]1C[NH3+] 575560318 352675680 /nfs/dbraw/zinc/67/56/80/352675680.db2.gz KALNIVGGIOULOX-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP Cn1cncc1C[C@]1([NH3+])CC1(C)C 575560293 352675921 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575561938 352684021 /nfs/dbraw/zinc/68/40/21/352684021.db2.gz VWQHLFRMWFBYIR-SCZZXKLOSA-N 2 0 168.284 1.351 10 0 ADAERP CC[C@@]1([NH3+])C[C@@H](C)[N@@H+](C2CC2)C1 575561937 352684207 /nfs/dbraw/zinc/68/42/07/352684207.db2.gz VWQHLFRMWFBYIR-PSASIEDQSA-N 2 0 168.284 1.351 10 0 ADAERP [NH3+][C@]1(C2CC2)CC[N@@H+]2CCC[C@H]1C2 575562323 352685842 /nfs/dbraw/zinc/68/58/42/352685842.db2.gz YRQOQUSWHINNJM-QWRGUYRKSA-N 2 0 180.295 1.210 10 0 ADAERP CC1(C)C[C@]1(C)c1nc(C[NH3+])c[nH]1 575562636 352687435 /nfs/dbraw/zinc/68/74/35/352687435.db2.gz AEFVGMPICYNUQO-SNVBAGLBSA-N 2 0 179.267 1.556 10 0 ADAERP CC1(C)C[C@@]1(C)c1nc(C[NH3+])c[nH]1 575562635 352687447 /nfs/dbraw/zinc/68/74/47/352687447.db2.gz AEFVGMPICYNUQO-JTQLQIEISA-N 2 0 179.267 1.556 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCC2)CC1 575562706 352687529 /nfs/dbraw/zinc/68/75/29/352687529.db2.gz BPOPCKMMKGYPBH-MGCOHNPYSA-N 2 0 168.284 1.210 10 0 ADAERP [NH3+][C@H]1CC[C@H](C[NH+]2CC=CC2)CC1 575563710 352692294 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/nfs/dbraw/zinc/70/35/26/352703526.db2.gz RCFZQNYGOBICPI-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[C@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575565837 352703683 /nfs/dbraw/zinc/70/36/83/352703683.db2.gz RNGLWEUYHLYPAZ-BDAKNGLRSA-N 2 0 156.273 1.064 10 0 ADAERP CC[N@@H+]1CC[C@@H](C[NH3+])C[C@@H]1C 575565794 352703747 /nfs/dbraw/zinc/70/37/47/352703747.db2.gz RCFZQNYGOBICPI-DTWKUNHWSA-N 2 0 156.273 1.066 10 0 ADAERP CC[N@@H+]1CC[C@H](C[NH3+])C[C@H]1C 575565793 352703792 /nfs/dbraw/zinc/70/37/92/352703792.db2.gz RCFZQNYGOBICPI-BDAKNGLRSA-N 2 0 156.273 1.066 10 0 ADAERP CC(C)[C@]1([NH3+])C[C@H](C)[N@H+](C)C1 575565846 352703800 /nfs/dbraw/zinc/70/38/00/352703800.db2.gz RNGLWEUYHLYPAZ-IUCAKERBSA-N 2 0 156.273 1.064 10 0 ADAERP C[NH2+][C@H]1CCN(C2(C)CC=CC2)C1 575566062 352705111 /nfs/dbraw/zinc/70/51/11/352705111.db2.gz PFBYLMZZGOFIGF-JTQLQIEISA-N 2 0 180.295 1.389 10 0 ADAERP C[NH2+][C@@H]1CCN(C2(C)CC=CC2)C1 575566064 352705186 /nfs/dbraw/zinc/70/51/86/352705186.db2.gz PFBYLMZZGOFIGF-SNVBAGLBSA-N 2 0 180.295 1.389 10 0 ADAERP CC1(C)C[C@]1(C)[NH+]1CCC([NH3+])CC1 575567039 352709293 /nfs/dbraw/zinc/70/92/93/352709293.db2.gz WTXSQRSTORIGEP-NSHDSACASA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)C[C@@]1(C)[NH+]1CCC([NH3+])CC1 575567038 352709412 /nfs/dbraw/zinc/70/94/12/352709412.db2.gz WTXSQRSTORIGEP-LLVKDONJSA-N 2 0 182.311 1.598 10 0 ADAERP CC1([N@@H+]2CC[C@H](N)C2)CC=CC1 575567097 352709853 /nfs/dbraw/zinc/70/98/53/352709853.db2.gz XHFBHNJEMOHCQX-VIFPVBQESA-N 2 0 166.268 1.128 10 0 ADAERP C[NH2+][C@H]1CCN([C@@]2(C)CC2(C)C)C1 575567173 352709897 /nfs/dbraw/zinc/70/98/97/352709897.db2.gz YHYQNHLCYBVLSD-ONGXEEELSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H]1CCN([C@@]2(C)CC2(C)C)C1 575567163 352709904 /nfs/dbraw/zinc/70/99/04/352709904.db2.gz YHYQNHLCYBVLSD-KOLCDFICSA-N 2 0 182.311 1.469 10 0 ADAERP CC1([N@@H+]2CC[C@@H](N)C2)CC=CC1 575567095 352709921 /nfs/dbraw/zinc/70/99/21/352709921.db2.gz XHFBHNJEMOHCQX-SECBINFHSA-N 2 0 166.268 1.128 10 0 ADAERP C[NH2+][C@@H]1CCN([C@]2(C)CC2(C)C)C1 575567169 352710098 /nfs/dbraw/zinc/71/00/98/352710098.db2.gz YHYQNHLCYBVLSD-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@H]1CCN([C@]2(C)CC2(C)C)C1 575567161 352710148 /nfs/dbraw/zinc/71/01/48/352710148.db2.gz YHYQNHLCYBVLSD-GXSJLCMTSA-N 2 0 182.311 1.469 10 0 ADAERP CC[N@@H+]1CC[C@]([NH3+])(C(C)C)C1 575567344 352711197 /nfs/dbraw/zinc/71/11/97/352711197.db2.gz HUXBOAPSPJJWCX-SECBINFHSA-N 2 0 156.273 1.066 10 0 ADAERP CC[N@@H+]1CC[C@@]([NH3+])(C(C)C)C1 575567346 352711493 /nfs/dbraw/zinc/71/14/93/352711493.db2.gz HUXBOAPSPJJWCX-VIFPVBQESA-N 2 0 156.273 1.066 10 0 ADAERP C/C=C/C[NH+]1CCC(C)([NH3+])CC1 575567900 352713800 /nfs/dbraw/zinc/71/38/00/352713800.db2.gz LLZRHCNBMHZDOA-ONEGZZNKSA-N 2 0 168.284 1.376 10 0 ADAERP CCC[N@@H+]1CC[C@@]([NH3+])(CC)C1 575567945 352713939 /nfs/dbraw/zinc/71/39/39/352713939.db2.gz ATSUBTMNVGDGIV-VIFPVBQESA-N 2 0 156.273 1.210 10 0 ADAERP CCC[N@@H+]1CC[C@]([NH3+])(CC)C1 575567944 352714058 /nfs/dbraw/zinc/71/40/58/352714058.db2.gz ATSUBTMNVGDGIV-SECBINFHSA-N 2 0 156.273 1.210 10 0 ADAERP CC(C)[C@@]1([NH3+])CCN(C2CC2)C1 575568890 352718341 /nfs/dbraw/zinc/71/83/41/352718341.db2.gz GBYWFRFKZAFFIE-SNVBAGLBSA-N 2 0 168.284 1.208 10 0 ADAERP CC(C)[C@]1([NH3+])CCN(C2CC2)C1 575568889 352718363 /nfs/dbraw/zinc/71/83/63/352718363.db2.gz GBYWFRFKZAFFIE-JTQLQIEISA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]1C[C@@]1(C)[NH+]1CCC[NH2+]CCC1 575569216 352719643 /nfs/dbraw/zinc/71/96/43/352719643.db2.gz HZZUQESDJRETHW-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@@H]1CCCC[N@@H+](C2CC([NH3+])C2)C1 575570793 352727469 /nfs/dbraw/zinc/72/74/69/352727469.db2.gz LYVGOSQONBDGFZ-KPPDAEKUSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CCCC[N@@H+](C2CC([NH3+])C2)C1 575570794 352727615 /nfs/dbraw/zinc/72/76/15/352727615.db2.gz LYVGOSQONBDGFZ-WHXUTIOJSA-N 2 0 182.311 1.598 10 0 ADAERP CC1([NH3+])CC[NH+](C2CCC2)CC1 575571199 352729417 /nfs/dbraw/zinc/72/94/17/352729417.db2.gz IIFWPGQLBLCTGQ-UHFFFAOYSA-N 2 0 168.284 1.352 10 0 ADAERP C[C@H](C1CC1)[NH+]1CCC(C)([NH3+])CC1 575571341 352730299 /nfs/dbraw/zinc/73/02/99/352730299.db2.gz JCRISBDKKHBDHG-SECBINFHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H](C1CC1)[NH+]1CCC(C)([NH3+])CC1 575571343 352730040 /nfs/dbraw/zinc/73/00/40/352730040.db2.gz JCRISBDKKHBDHG-VIFPVBQESA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@@H](C[NH3+])C1 575571581 352730857 /nfs/dbraw/zinc/73/08/57/352730857.db2.gz QEBQFQOAVZKPLU-KXUCPTDWSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@@H](C[NH3+])C1 575571584 352730911 /nfs/dbraw/zinc/73/09/11/352730911.db2.gz QEBQFQOAVZKPLU-UTLUCORTSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@H](C[NH3+])C1 575571582 352730931 /nfs/dbraw/zinc/73/09/31/352730931.db2.gz QEBQFQOAVZKPLU-OPRDCNLKSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@H](C[NH3+])C1 575571579 352730967 /nfs/dbraw/zinc/73/09/67/352730967.db2.gz QEBQFQOAVZKPLU-BBBLOLIVSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)[C@H](C)C1([NH3+])CC[NH+](C)CC1 575571763 352732428 /nfs/dbraw/zinc/73/24/28/352732428.db2.gz WTYWUTSUZPXVAL-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)=CC[NH+]1CCC(C)([NH3+])CC1 575571733 352732509 /nfs/dbraw/zinc/73/25/09/352732509.db2.gz WGRUXPIMWWWXRU-UHFFFAOYSA-N 2 0 182.311 1.766 10 0 ADAERP CCN1CC[C@]([NH3+])(c2ccsc2)C1 575571816 352732526 /nfs/dbraw/zinc/73/25/26/352732526.db2.gz WZNSLTWWOINCJR-SNVBAGLBSA-N 2 0 196.319 1.628 10 0 ADAERP CCN1CC[C@@]([NH3+])(c2ccsc2)C1 575571814 352732610 /nfs/dbraw/zinc/73/26/10/352732610.db2.gz WZNSLTWWOINCJR-JTQLQIEISA-N 2 0 196.319 1.628 10 0 ADAERP CC(C)[C@@H](C)C1([NH3+])CC[NH+](C)CC1 575571765 352732725 /nfs/dbraw/zinc/73/27/25/352732725.db2.gz WTYWUTSUZPXVAL-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CC1(C)C[N@H+](C2CC([NH3+])C2)C1(C)C 575571863 352733369 /nfs/dbraw/zinc/73/33/69/352733369.db2.gz XMUGKEBTCKVIBV-UHFFFAOYSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H](C(N)=[NH2+])N1CCCC2(CC2)C1 575571952 352733768 /nfs/dbraw/zinc/73/37/68/352733768.db2.gz RDLPOCFUNBAQPE-QMMMGPOBSA-N 2 0 181.283 1.187 10 0 ADAERP C[C@H](C(N)=[NH2+])N1CCCC2(CC2)C1 575571951 352733878 /nfs/dbraw/zinc/73/38/78/352733878.db2.gz RDLPOCFUNBAQPE-MRVPVSSYSA-N 2 0 181.283 1.187 10 0 ADAERP C[C@H]1CCCC[N@H+](CC2C[NH2+]C2)C1 575572573 352736566 /nfs/dbraw/zinc/73/65/66/352736566.db2.gz PUIJPEHUDUJPKX-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP C[C@@H]1CCCC[N@H+](CC2C[NH2+]C2)C1 575572574 352736936 /nfs/dbraw/zinc/73/69/36/352736936.db2.gz PUIJPEHUDUJPKX-SNVBAGLBSA-N 2 0 182.311 1.328 10 0 ADAERP CC[C@H](C)[C@]1([NH3+])C[C@H](C)[N@H+](C)C1 575572807 352737947 /nfs/dbraw/zinc/73/79/47/352737947.db2.gz WWQWNLQVCKAFLX-GUBZILKMSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H](C)[C@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575572804 352738075 /nfs/dbraw/zinc/73/80/75/352738075.db2.gz WWQWNLQVCKAFLX-AEJSXWLSSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H](C)[C@@]1([NH3+])C[C@H](C)[N@H+](C)C1 575572810 352738111 /nfs/dbraw/zinc/73/81/11/352738111.db2.gz WWQWNLQVCKAFLX-LPEHRKFASA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H](C)[C@@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575572808 352738170 /nfs/dbraw/zinc/73/81/70/352738170.db2.gz WWQWNLQVCKAFLX-IVZWLZJFSA-N 2 0 170.300 1.454 10 0 ADAERP C[C@H]1C[C@]1(C)C[NH+]1CCC([NH3+])CC1 575573188 352740158 /nfs/dbraw/zinc/74/01/58/352740158.db2.gz ZFIAYQYKVPBIPE-GXSJLCMTSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]1C[C@@]1(C)C[NH+]1CCC([NH3+])CC1 575573192 352740385 /nfs/dbraw/zinc/74/03/85/352740385.db2.gz ZFIAYQYKVPBIPE-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[C@@]1(C)C[NH+]1CCC([NH3+])CC1 575573190 352740424 /nfs/dbraw/zinc/74/04/24/352740424.db2.gz ZFIAYQYKVPBIPE-KOLCDFICSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1C[C@]1(C)C[NH+]1CCC([NH3+])CC1 575573191 352740433 /nfs/dbraw/zinc/74/04/33/352740433.db2.gz ZFIAYQYKVPBIPE-MWLCHTKSSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CCCCN([C@H]2CC[NH2+]C2)C1 575573380 352740812 /nfs/dbraw/zinc/74/08/12/352740812.db2.gz VCBHMMUBUZFUSC-MNOVXSKESA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1CCCCN([C@H]2CC[NH2+]C2)C1 575573381 352740872 /nfs/dbraw/zinc/74/08/72/352740872.db2.gz VCBHMMUBUZFUSC-QWRGUYRKSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1CCCCN([C@@H]2CC[NH2+]C2)C1 575573382 352741234 /nfs/dbraw/zinc/74/12/34/352741234.db2.gz VCBHMMUBUZFUSC-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@@H]1CCCCN([C@@H]2CC[NH2+]C2)C1 575573378 352741266 /nfs/dbraw/zinc/74/12/66/352741266.db2.gz VCBHMMUBUZFUSC-GHMZBOCLSA-N 2 0 182.311 1.470 10 0 ADAERP C[C@H]1CC[C@@H]1[NH+]1CCC(C)([NH3+])CC1 575573867 352743739 /nfs/dbraw/zinc/74/37/39/352743739.db2.gz ZIHMVUPCERVQSJ-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH+]1CCC(C)([NH3+])CC1 575573869 352743760 /nfs/dbraw/zinc/74/37/60/352743760.db2.gz ZIHMVUPCERVQSJ-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CC[C@H]1[NH+]1CCC(C)([NH3+])CC1 575573866 352743901 /nfs/dbraw/zinc/74/39/01/352743901.db2.gz ZIHMVUPCERVQSJ-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1CC[C@H]1[NH+]1CCC(C)([NH3+])CC1 575573868 352743950 /nfs/dbraw/zinc/74/39/50/352743950.db2.gz ZIHMVUPCERVQSJ-VHSXEESVSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@]12CCCC[C@@H]1CN2CC[NH3+] 575574486 352746120 /nfs/dbraw/zinc/74/61/20/352746120.db2.gz WBULSHWSLQNIHT-ZJUUUORDSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@@]12CCCC[C@H]1CN2CC[NH3+] 575574485 352746140 /nfs/dbraw/zinc/74/61/40/352746140.db2.gz WBULSHWSLQNIHT-VHSXEESVSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@@]12CCCC[C@@H]1CN2CC[NH3+] 575574483 352746169 /nfs/dbraw/zinc/74/61/69/352746169.db2.gz WBULSHWSLQNIHT-NXEZZACHSA-N 2 0 168.284 1.210 10 0 ADAERP C[C@]12CCCC[C@H]1CN2CC[NH3+] 575574484 352746188 /nfs/dbraw/zinc/74/61/88/352746188.db2.gz WBULSHWSLQNIHT-UWVGGRQHSA-N 2 0 168.284 1.210 10 0 ADAERP CC(C)C[C@]1([NH3+])CC[N@H+](C)C[C@H]1C 575575617 352752211 /nfs/dbraw/zinc/75/22/11/352752211.db2.gz IGAUQSQXAJQHNK-GHMZBOCLSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)C[C@@]1([NH3+])CC[N@H+](C)C[C@@H]1C 575575624 352752229 /nfs/dbraw/zinc/75/22/29/352752229.db2.gz IGAUQSQXAJQHNK-QWRGUYRKSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)C[C@@]1([NH3+])CC[N@H+](C)C[C@H]1C 575575622 352752264 /nfs/dbraw/zinc/75/22/64/352752264.db2.gz IGAUQSQXAJQHNK-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)C[C@]1([NH3+])CC[N@H+](C)C[C@@H]1C 575575627 352752595 /nfs/dbraw/zinc/75/25/95/352752595.db2.gz IGAUQSQXAJQHNK-WDEREUQCSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1CCC12CCCC2 575575552 352752656 /nfs/dbraw/zinc/75/26/56/352752656.db2.gz BQEBMUHNTSJTBY-UHFFFAOYSA-N 2 0 182.311 1.742 10 0 ADAERP CC(C)[N@H+](C)[C@H]1C[C@@H](C[NH3+])C1 575575712 352753008 /nfs/dbraw/zinc/75/30/08/352753008.db2.gz DQNJRSKKKYVTAC-DTORHVGOSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)[N@H+](C)C1CC(C[NH3+])C1 575575714 352753104 /nfs/dbraw/zinc/75/31/04/352753104.db2.gz DQNJRSKKKYVTAC-UHFFFAOYSA-N 2 0 156.273 1.064 10 0 ADAERP CC(C)C[C@@]1([NH3+])CC[N@@H+]2CCC[C@@H]21 575575800 352753674 /nfs/dbraw/zinc/75/36/74/352753674.db2.gz IXSQWRLPZPJEQO-MNOVXSKESA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)C[C@]1([NH3+])CC[N@@H+]2CCC[C@H]21 575575806 352753689 /nfs/dbraw/zinc/75/36/89/352753689.db2.gz IXSQWRLPZPJEQO-WDEREUQCSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@]1([NH3+])CC[N@H+](C)C[C@@H]1C 575575863 352753806 /nfs/dbraw/zinc/75/38/06/352753806.db2.gz JPUFJIWITXTHDC-VHSXEESVSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H]1C[N@H+](C)CC[C@@]1([NH3+])C1CC1 575575827 352753841 /nfs/dbraw/zinc/75/38/41/352753841.db2.gz JGEJGTWUJBQKNA-WPRPVWTQSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)[C@@]1([NH3+])CC[N@H+](C)C[C@H]1C 575575870 352753890 /nfs/dbraw/zinc/75/38/90/352753890.db2.gz JPUFJIWITXTHDC-ZJUUUORDSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)[C@@]1([NH3+])CC[N@H+](C)C[C@@H]1C 575575860 352753971 /nfs/dbraw/zinc/75/39/71/352753971.db2.gz JPUFJIWITXTHDC-UWVGGRQHSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@@H]1C[N@H+](C)CC[C@@]1([NH3+])C1CC1 575575823 352754128 /nfs/dbraw/zinc/75/41/28/352754128.db2.gz JGEJGTWUJBQKNA-SCZZXKLOSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@H]1C[N@H+](C)CC[C@]1([NH3+])C1CC1 575575825 352754161 /nfs/dbraw/zinc/75/41/61/352754161.db2.gz JGEJGTWUJBQKNA-WCBMZHEXSA-N 2 0 168.284 1.066 10 0 ADAERP CC(C)C[C@@]1([NH3+])CC[N@@H+]2CCC[C@H]21 575575803 352754171 /nfs/dbraw/zinc/75/41/71/352754171.db2.gz IXSQWRLPZPJEQO-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@]1([NH3+])CC[N@H+](C)C[C@H]1C 575575858 352754183 /nfs/dbraw/zinc/75/41/83/352754183.db2.gz JPUFJIWITXTHDC-NXEZZACHSA-N 2 0 170.300 1.312 10 0 ADAERP CC(C)C[C@]1([NH3+])CC[N@@H+]2CCC[C@@H]21 575575798 352754204 /nfs/dbraw/zinc/75/42/04/352754204.db2.gz IXSQWRLPZPJEQO-GHMZBOCLSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[N@H+](C)CC[C@]1([NH3+])C1CC1 575575822 352754213 /nfs/dbraw/zinc/75/42/13/352754213.db2.gz JGEJGTWUJBQKNA-PSASIEDQSA-N 2 0 168.284 1.066 10 0 ADAERP C[C@H]1C[C@]1(C)[NH2+]CC(C)(C)[NH3+] 575576111 352754603 /nfs/dbraw/zinc/75/46/03/352754603.db2.gz KRZCGUFINHHGEY-CBAPKCEASA-N 2 0 156.273 1.112 10 0 ADAERP C[C@@H]1C[C@@]1(C)[NH2+]CC(C)(C)[NH3+] 575576113 352754785 /nfs/dbraw/zinc/75/47/85/352754785.db2.gz KRZCGUFINHHGEY-VXNVDRBHSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@@H]1C[C@]1(C)[NH2+]CC(C)(C)[NH3+] 575576109 352754858 /nfs/dbraw/zinc/75/48/58/352754858.db2.gz KRZCGUFINHHGEY-APPZFPTMSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]1C[C@@]1(C)[NH2+]CC(C)(C)[NH3+] 575576112 352754886 /nfs/dbraw/zinc/75/48/86/352754886.db2.gz KRZCGUFINHHGEY-IONNQARKSA-N 2 0 156.273 1.112 10 0 ADAERP C1C[NH+](CC2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 575576382 352755996 /nfs/dbraw/zinc/75/59/96/352755996.db2.gz SDWJAJUJXFYQCK-FGWVZKOKSA-N 2 0 180.295 1.223 10 0 ADAERP C[C@H]1CCCC[C@@H]1[NH+]1CC(C[NH3+])C1 575576360 352756017 /nfs/dbraw/zinc/75/60/17/352756017.db2.gz JVCAZPXARMRRSO-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@@H]1CCCC[C@H]1[NH+]1CC(C[NH3+])C1 575576357 352756028 /nfs/dbraw/zinc/75/60/28/352756028.db2.gz JVCAZPXARMRRSO-MWLCHTKSSA-N 2 0 182.311 1.456 10 0 ADAERP C[C@H]1CCCC[C@H]1[NH+]1CC(C[NH3+])C1 575576349 352756229 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ADAERP CC1CC(C[NH3+])([N@@H+]2C[C@@H](C)[C@H]2C)C1 575583779 352794611 /nfs/dbraw/zinc/79/46/11/352794611.db2.gz MOEUASUSFGYYFD-WYNUPADASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@@H+]1CCC1(C)C 575583875 352794982 /nfs/dbraw/zinc/79/49/82/352794982.db2.gz NFKUDCBZELTGGK-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C[N@H+]1C[C@H](C)[C@H]1C)=C1C[NH2+]C1 575583900 352795027 /nfs/dbraw/zinc/79/50/27/352795027.db2.gz NQBOBJWAHMBPON-WCBMZHEXSA-N 2 0 180.295 1.246 10 0 ADAERP CC1(C)CC[N@@H+]1CC1([NH3+])CCCC1 575583870 352795040 /nfs/dbraw/zinc/79/50/40/352795040.db2.gz NCXWOQFOXVWAGT-UHFFFAOYSA-N 2 0 182.311 1.742 10 0 ADAERP CC(C[N@H+]1C[C@@H](C)[C@H]1C)=C1C[NH2+]C1 575583894 352795073 /nfs/dbraw/zinc/79/50/73/352795073.db2.gz NQBOBJWAHMBPON-PSASIEDQSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+]1CCC1(C)C 575583872 352795099 /nfs/dbraw/zinc/79/50/99/352795099.db2.gz NFKUDCBZELTGGK-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP CC(C[N@H+]1C[C@H](C)[C@@H]1C)=C1C[NH2+]C1 575583903 352795107 /nfs/dbraw/zinc/79/51/07/352795107.db2.gz NQBOBJWAHMBPON-WPRPVWTQSA-N 2 0 180.295 1.246 10 0 ADAERP CC(C[N@H+]1C[C@@H](C)[C@@H]1C)=C1C[NH2+]C1 575583897 352795133 /nfs/dbraw/zinc/79/51/33/352795133.db2.gz NQBOBJWAHMBPON-SCZZXKLOSA-N 2 0 180.295 1.246 10 0 ADAERP C[C@@H]1CC[C@@H](C)[NH+]1CC1CC([NH3+])C1 575583856 352795214 /nfs/dbraw/zinc/79/52/14/352795214.db2.gz QOTBHQHVRRQIRC-NKVNRFPTSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1CC[C@@H](C)[N@@H+]1CC1CC([NH3+])C1 575583855 352795303 /nfs/dbraw/zinc/79/53/03/352795303.db2.gz QOTBHQHVRRQIRC-IXBNRNDTSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1CC[C@H](C)[NH+]1CC1CC([NH3+])C1 575583857 352795312 /nfs/dbraw/zinc/79/53/12/352795312.db2.gz QOTBHQHVRRQIRC-SAAXCQNUSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CCC1(C)C 575583874 352795330 /nfs/dbraw/zinc/79/53/30/352795330.db2.gz NFKUDCBZELTGGK-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP 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1.597 10 0 ADAERP C1C[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)[C@H]2C1 575584842 352798944 /nfs/dbraw/zinc/79/89/44/352798944.db2.gz RPNGZESLNOUXAR-VWYCJHECSA-N 2 0 180.295 1.080 10 0 ADAERP CC1(C[N@@H+]2C[C@H]3CCC[C@@H]32)C[NH2+]C1 575584765 352799056 /nfs/dbraw/zinc/79/90/56/352799056.db2.gz QFWGKYWBEBAPGV-ZJUUUORDSA-N 2 0 180.295 1.080 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@H]32)C1 575584816 352798991 /nfs/dbraw/zinc/79/89/91/352798991.db2.gz RGGYGPCJWPJZDO-UKKRHICBSA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]32)C1 575584817 352799002 /nfs/dbraw/zinc/79/90/02/352799002.db2.gz RGGYGPCJWPJZDO-XWLWVQCSSA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]32)C1 575584815 352799025 /nfs/dbraw/zinc/79/90/25/352799025.db2.gz RGGYGPCJWPJZDO-NAKRPEOUSA-N 2 0 180.295 1.208 10 0 ADAERP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1C[C@@H]([NH3+])C1 575584781 352799050 /nfs/dbraw/zinc/79/90/50/352799050.db2.gz QOTBHQHVRRQIRC-DBIOUOCHSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1C[N@H+](C[C@@H]2CCC[C@@H]2[NH3+])[C@H]1C 575584806 352799082 /nfs/dbraw/zinc/79/90/82/352799082.db2.gz RGCJAQPRBUHMNO-NAKRPEOUSA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]32)C1 575584814 352799092 /nfs/dbraw/zinc/79/90/92/352799092.db2.gz RGGYGPCJWPJZDO-MMWGEVLESA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@H]32)C1 575584813 352799129 /nfs/dbraw/zinc/79/91/29/352799129.db2.gz RGGYGPCJWPJZDO-GWOFURMSSA-N 2 0 180.295 1.208 10 0 ADAERP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 575584780 352799226 /nfs/dbraw/zinc/79/92/26/352799226.db2.gz QOTBHQHVRRQIRC-BIBSGERRSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1CC[C@H](C)[NH+]1C[C@H]1C[C@@H]([NH3+])C1 575584785 352799233 /nfs/dbraw/zinc/79/92/33/352799233.db2.gz QOTBHQHVRRQIRC-XWLWVQCSSA-N 2 0 182.311 1.597 10 0 ADAERP C1C[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)[C@@H]2C1 575584840 352799306 /nfs/dbraw/zinc/79/93/06/352799306.db2.gz RPNGZESLNOUXAR-GARJFASQSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@H]1C[N@H+](C[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 575584808 352799324 /nfs/dbraw/zinc/79/93/24/352799324.db2.gz RGCJAQPRBUHMNO-VLEAKVRGSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 575584782 352799330 /nfs/dbraw/zinc/79/93/30/352799330.db2.gz QOTBHQHVRRQIRC-DTIDVZRVSA-N 2 0 182.311 1.597 10 0 ADAERP C1C[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)[C@@H]2C1 575584841 352799350 /nfs/dbraw/zinc/79/93/50/352799350.db2.gz RPNGZESLNOUXAR-OUAUKWLOSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 575584807 352799376 /nfs/dbraw/zinc/79/93/76/352799376.db2.gz RGCJAQPRBUHMNO-RCWTZXSCSA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+][C@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@H]32)C1 575584812 352799388 /nfs/dbraw/zinc/79/93/88/352799388.db2.gz RGGYGPCJWPJZDO-DBIOUOCHSA-N 2 0 180.295 1.208 10 0 ADAERP C1C[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)[C@H]2C1 575584839 352799444 /nfs/dbraw/zinc/79/94/44/352799444.db2.gz RPNGZESLNOUXAR-DCAQKATOSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CCC[C@H]1[NH3+] 575584809 352799459 /nfs/dbraw/zinc/79/94/59/352799459.db2.gz RGCJAQPRBUHMNO-VPOLOUISSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)[C@@H]1C 575584991 352799783 /nfs/dbraw/zinc/79/97/83/352799783.db2.gz RUWKKRYYGBDNJA-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP C1C[NH2+]CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575584989 352799826 /nfs/dbraw/zinc/79/98/26/352799826.db2.gz RSTMEYRTOSGWPY-MXWKQRLJSA-N 2 0 180.295 1.223 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1C1(C[NH3+])CCCC1 575584994 352800017 /nfs/dbraw/zinc/80/00/17/352800017.db2.gz RUWKKRYYGBDNJA-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP C1C[NH2+]CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575584988 352800033 /nfs/dbraw/zinc/80/00/33/352800033.db2.gz RSTMEYRTOSGWPY-HBNTYKKESA-N 2 0 180.295 1.223 10 0 ADAERP CC1(C)CC[N@@H+]1CC1=CC[C@H]([NH3+])C1 575585009 352800077 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VMNMYMWSSWTVEK-VIFPVBQESA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1CCN1C1(C[NH3+])CC(C)(C)C1 575585501 352802638 /nfs/dbraw/zinc/80/26/38/352802638.db2.gz VMNMYMWSSWTVEK-SECBINFHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C)CC[NH2+]1 575585699 352803147 /nfs/dbraw/zinc/80/31/47/352803147.db2.gz KTQPEMTWVIZRQX-ZYUZMQFOSA-N 2 0 168.284 1.125 10 0 ADAERP C[NH2+]C1CC[NH+]([C@]2(C)C[C@@H]2C)CC1 575585685 352803201 /nfs/dbraw/zinc/80/32/01/352803201.db2.gz KOFJTTQGGAWKMJ-GXSJLCMTSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 575585698 352803261 /nfs/dbraw/zinc/80/32/61/352803261.db2.gz KTQPEMTWVIZRQX-SGIHWFKDSA-N 2 0 168.284 1.125 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 575585696 352803363 /nfs/dbraw/zinc/80/33/63/352803363.db2.gz KTQPEMTWVIZRQX-JLIMGVALSA-N 2 0 168.284 1.125 10 0 ADAERP C[NH2+]C1CC[NH+]([C@@]2(C)C[C@@H]2C)CC1 575585688 352803375 /nfs/dbraw/zinc/80/33/75/352803375.db2.gz KOFJTTQGGAWKMJ-ONGXEEELSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)CC[NH2+]1 575585697 352803427 /nfs/dbraw/zinc/80/34/27/352803427.db2.gz KTQPEMTWVIZRQX-KYXWUPHJSA-N 2 0 168.284 1.125 10 0 ADAERP C[NH2+]C1CC[NH+]([C@@]2(C)C[C@H]2C)CC1 575585686 352803464 /nfs/dbraw/zinc/80/34/64/352803464.db2.gz KOFJTTQGGAWKMJ-KOLCDFICSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1CC[C@H](C)[NH+]1C[C@H]1CC[NH2+]C1 575585577 352803510 /nfs/dbraw/zinc/80/35/10/352803510.db2.gz WGYHAOBGZILZCV-DCAQKATOSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+]C1CC[NH+]([C@]2(C)C[C@H]2C)CC1 575585687 352803677 /nfs/dbraw/zinc/80/36/77/352803677.db2.gz KOFJTTQGGAWKMJ-MWLCHTKSSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)[C@H]1C 575585815 352804142 /nfs/dbraw/zinc/80/41/42/352804142.db2.gz XRVKVGDTCVQQQA-XKNYDFJKSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@@H]1C[C@]1(C)[NH+]1CCC([NH3+])CC1 575585764 352804184 /nfs/dbraw/zinc/80/41/84/352804184.db2.gz MWJZUIUYWPJOBO-SCZZXKLOSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C 575585811 352804196 /nfs/dbraw/zinc/80/41/96/352804196.db2.gz XRVKVGDTCVQQQA-KYXWUPHJSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 575585814 352804207 /nfs/dbraw/zinc/80/42/07/352804207.db2.gz XRVKVGDTCVQQQA-UTINFBMNSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1C[C@]1(C)[NH+]1CCC([NH3+])CC1 575585767 352804286 /nfs/dbraw/zinc/80/42/86/352804286.db2.gz MWJZUIUYWPJOBO-WPRPVWTQSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 575585810 352804345 /nfs/dbraw/zinc/80/43/45/352804345.db2.gz XRVKVGDTCVQQQA-JXUBOQSCSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@@H]1C[C@@]1(C)[NH+]1CCC([NH3+])CC1 575585763 352804352 /nfs/dbraw/zinc/80/43/52/352804352.db2.gz MWJZUIUYWPJOBO-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H]1C[C@@]1(C)[NH+]1CCC([NH3+])CC1 575585765 352804366 /nfs/dbraw/zinc/80/43/66/352804366.db2.gz MWJZUIUYWPJOBO-WCBMZHEXSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 575585816 352804372 /nfs/dbraw/zinc/80/43/72/352804372.db2.gz XRVKVGDTCVQQQA-ZYUZMQFOSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 575585813 352804547 /nfs/dbraw/zinc/80/45/47/352804547.db2.gz XRVKVGDTCVQQQA-RGOKHQFPSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C 575585812 352804569 /nfs/dbraw/zinc/80/45/69/352804569.db2.gz XRVKVGDTCVQQQA-QCLAVDOMSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C 575585809 352804579 /nfs/dbraw/zinc/80/45/79/352804579.db2.gz XRVKVGDTCVQQQA-AATLWQCWSA-N 2 0 168.284 1.064 10 0 ADAERP C[C@H]1C[C@]1(C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 575585898 352804769 /nfs/dbraw/zinc/80/47/69/352804769.db2.gz PEXIOMPFOSYFIU-ZDCRXTMVSA-N 2 0 182.311 1.597 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 575586001 352804848 /nfs/dbraw/zinc/80/48/48/352804848.db2.gz YZEYPSYEZHWDDI-NXEZZACHSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@H]1C[C@@]1(C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 575585897 352804897 /nfs/dbraw/zinc/80/48/97/352804897.db2.gz PEXIOMPFOSYFIU-LNFKQOIKSA-N 2 0 182.311 1.597 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@H]1C=C[C@H]([NH3+])C1 575586002 352805148 /nfs/dbraw/zinc/80/51/48/352805148.db2.gz YZEYPSYEZHWDDI-UWVGGRQHSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@]1(C)C[C@H]1C 575585896 352805393 /nfs/dbraw/zinc/80/53/93/352805393.db2.gz PEXIOMPFOSYFIU-GWOFURMSSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@]1(C)C[C@H]1C 575585895 352805494 /nfs/dbraw/zinc/80/54/94/352805494.db2.gz PEXIOMPFOSYFIU-DBIOUOCHSA-N 2 0 182.311 1.597 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@H]1C=C[C@@H]([NH3+])C1 575586003 352805866 /nfs/dbraw/zinc/80/58/66/352805866.db2.gz YZEYPSYEZHWDDI-VHSXEESVSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@H]1CN(C[C@H]2[NH2+]CC[C@H]2C)[C@@H]1C 575586118 352805974 /nfs/dbraw/zinc/80/59/74/352805974.db2.gz ZOIVKTYZVGSCGY-LMLFDSFASA-N 2 0 182.311 1.325 10 0 ADAERP C[C@H]1CN(C[C@H]2[NH2+]CC[C@H]2C)[C@H]1C 575586121 352806131 /nfs/dbraw/zinc/80/61/31/352806131.db2.gz ZOIVKTYZVGSCGY-VPOLOUISSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1CC[NH2+][C@@H]1CN1C[C@@H](C)[C@H]1C 575586117 352806170 /nfs/dbraw/zinc/80/61/70/352806170.db2.gz ZOIVKTYZVGSCGY-GWOFURMSSA-N 2 0 182.311 1.325 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@@H]1C=C[C@H]([NH3+])C1 575586004 352806296 /nfs/dbraw/zinc/80/62/96/352806296.db2.gz YZEYPSYEZHWDDI-ZJUUUORDSA-N 2 0 180.295 1.374 10 0 ADAERP C[C@H]1[C@H](C)CN1C[C@H]1[NH2+]CC[C@H]1C 575586113 352806310 /nfs/dbraw/zinc/80/63/10/352806310.db2.gz ZOIVKTYZVGSCGY-CHWFTXMASA-N 2 0 182.311 1.325 10 0 ADAERP CC(C[N@@H+]1CCC1(C)C)=C1C[NH2+]C1 575586017 352806323 /nfs/dbraw/zinc/80/63/23/352806323.db2.gz ZIJUXQBGUPBNKR-UHFFFAOYSA-N 2 0 180.295 1.390 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[N@H+]1C[C@@H](C)[C@H]1C 575586157 352806574 /nfs/dbraw/zinc/80/65/74/352806574.db2.gz ZSEHOURHKZCGCY-DBIOUOCHSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CC[NH2+][C@@H]1C 575586164 352806928 /nfs/dbraw/zinc/80/69/28/352806928.db2.gz ZSEHOURHKZCGCY-ZNSHCXBVSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1C[C@@H](C)[C@@H]1C 575586158 352806997 /nfs/dbraw/zinc/80/69/97/352806997.db2.gz ZSEHOURHKZCGCY-RCWTZXSCSA-N 2 0 182.311 1.325 10 0 ADAERP C1CC([NH+]2CC(C3CC3)C2)CC[NH2+]1 575586232 352807003 /nfs/dbraw/zinc/80/70/03/352807003.db2.gz AHJMFDFVIGFDLN-UHFFFAOYSA-N 2 0 180.295 1.080 10 0 ADAERP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1C[C@@H](C)[C@H]1C 575586163 352807011 /nfs/dbraw/zinc/80/70/11/352807011.db2.gz ZSEHOURHKZCGCY-YTWAJWBKSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@@H]1C[N@H+]([C@]2(C)C[C@H]2C)CC[C@H]1[NH3+] 575586426 352807396 /nfs/dbraw/zinc/80/73/96/352807396.db2.gz ZYTKKKQYZPNHHR-GWOFURMSSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1C[C@@]1(C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 575586429 352807542 /nfs/dbraw/zinc/80/75/42/352807542.db2.gz ZYTKKKQYZPNHHR-VPOLOUISSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1C[C@@]1(C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 575586427 352807716 /nfs/dbraw/zinc/80/77/16/352807716.db2.gz ZYTKKKQYZPNHHR-LMLFDSFASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1C[N@H+]([C@]2(C)C[C@H]2C)CC[C@@H]1[NH3+] 575586425 352807763 /nfs/dbraw/zinc/80/77/63/352807763.db2.gz ZYTKKKQYZPNHHR-CHWFTXMASA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+]CC1([N@@H+]2CCC23CCC3)CCC1 575586579 352808138 /nfs/dbraw/zinc/80/81/38/352808138.db2.gz AWKIYRPZCOJUKW-UHFFFAOYSA-N 2 0 180.295 1.496 10 0 ADAERP C[C@@H]1C[N@H+](C[C@H]2CC2(C)C)C[C@H]1[NH3+] 575586547 352808214 /nfs/dbraw/zinc/80/82/14/352808214.db2.gz FENOXFMKYKHPAT-OPRDCNLKSA-N 2 0 182.311 1.312 10 0 ADAERP [NH3+]CC1([N@@H+]2CCC23CCCC3)CC1 575586649 352808221 /nfs/dbraw/zinc/80/82/21/352808221.db2.gz CIMOYOXTEOMPPO-UHFFFAOYSA-N 2 0 180.295 1.496 10 0 ADAERP C[C@@H]1C[N@H+](C[C@@H]2CC2(C)C)C[C@@H]1[NH3+] 575586548 352808231 /nfs/dbraw/zinc/80/82/31/352808231.db2.gz FENOXFMKYKHPAT-UTLUCORTSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[N@H+](C[C@H]2CC2(C)C)C[C@@H]1[NH3+] 575586545 352808347 /nfs/dbraw/zinc/80/83/47/352808347.db2.gz FENOXFMKYKHPAT-BBBLOLIVSA-N 2 0 182.311 1.312 10 0 ADAERP C[C@@H]1C[N@H+](C[C@@H]2CC2(C)C)C[C@H]1[NH3+] 575586546 352808436 /nfs/dbraw/zinc/80/84/36/352808436.db2.gz FENOXFMKYKHPAT-KXUCPTDWSA-N 2 0 182.311 1.312 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@@H]2CCC[C@H]21 575586861 352809015 /nfs/dbraw/zinc/80/90/15/352809015.db2.gz DBFJQXONJCBWSM-DTWKUNHWSA-N 2 0 168.284 1.208 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@@H]2CCC[C@@H]21 575586862 352809498 /nfs/dbraw/zinc/80/94/98/352809498.db2.gz DBFJQXONJCBWSM-IUCAKERBSA-N 2 0 168.284 1.208 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@H]3CCC[C@H]32)CCC1 575586987 352809729 /nfs/dbraw/zinc/80/97/29/352809729.db2.gz FXUNMGXTBBZNHI-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@H]2CCC[C@H]21 575586863 352809751 /nfs/dbraw/zinc/80/97/51/352809751.db2.gz DBFJQXONJCBWSM-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@@H]3CCC[C@H]32)CCC1 575587034 352810143 /nfs/dbraw/zinc/81/01/43/352810143.db2.gz FXUNMGXTBBZNHI-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@@H]3CCC[C@@H]32)CCC1 575587032 352810202 /nfs/dbraw/zinc/81/02/02/352810202.db2.gz FXUNMGXTBBZNHI-UWVGGRQHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@H]3CCC[C@@H]32)CCC1 575587044 352810270 /nfs/dbraw/zinc/81/02/70/352810270.db2.gz FXUNMGXTBBZNHI-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CC(C3CC3)C2)C1 575587142 352811024 /nfs/dbraw/zinc/81/10/24/352811024.db2.gz LNMRTTKNZPKNOI-GHMZBOCLSA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH+]2CC(C3CC3)C2)C1 575587144 352811187 /nfs/dbraw/zinc/81/11/87/352811187.db2.gz LNMRTTKNZPKNOI-MNOVXSKESA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@H]1CC[C@@H]([NH+]2CC(C3CC3)C2)C1 575587153 352811262 /nfs/dbraw/zinc/81/12/62/352811262.db2.gz LNMRTTKNZPKNOI-WDEREUQCSA-N 2 0 180.295 1.208 10 0 ADAERP [NH3+][C@H]1CC[C@H]([NH+]2CC(C3CC3)C2)C1 575587151 352811271 /nfs/dbraw/zinc/81/12/71/352811271.db2.gz LNMRTTKNZPKNOI-QWRGUYRKSA-N 2 0 180.295 1.208 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@H]21 575587488 352812735 /nfs/dbraw/zinc/81/27/35/352812735.db2.gz IPWDFEMGQKVVTI-VHSXEESVSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1C1CC[NH2+]CC1 575587491 352812635 /nfs/dbraw/zinc/81/26/35/352812635.db2.gz IRMKWVWFQKFTFS-UHFFFAOYSA-N 2 0 168.284 1.223 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@H]2CCCC[C@H]21 575587484 352812720 /nfs/dbraw/zinc/81/27/20/352812720.db2.gz IPWDFEMGQKVVTI-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@H]2CCCC[C@@H]21 575587489 352812750 /nfs/dbraw/zinc/81/27/50/352812750.db2.gz IPWDFEMGQKVVTI-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@@H]21 575587487 352812843 /nfs/dbraw/zinc/81/28/43/352812843.db2.gz IPWDFEMGQKVVTI-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1C[N@@H+](C2CCC([NH3+])CC2)[C@H]1C 575587652 352813582 /nfs/dbraw/zinc/81/35/82/352813582.db2.gz KCXHGTXTLIRMBU-SAAXCQNUSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)[C@@H]1C 575587650 352813600 /nfs/dbraw/zinc/81/36/00/352813600.db2.gz KCXHGTXTLIRMBU-NKVNRFPTSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1C[N@@H+](C2CCC([NH3+])CC2)[C@@H]1C 575587648 352813606 /nfs/dbraw/zinc/81/36/06/352813606.db2.gz KCXHGTXTLIRMBU-IZUQBHJASA-N 2 0 182.311 1.597 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1[N@@H+]1CCC12CCC2 575587976 352814783 /nfs/dbraw/zinc/81/47/83/352814783.db2.gz KRKQLIPPVWPSFW-UWVGGRQHSA-N 2 0 180.295 1.495 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCC[C@@H]1C[NH3+] 575587970 352814821 /nfs/dbraw/zinc/81/48/21/352814821.db2.gz KQDDOTMQBBCSGV-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 575587962 352814848 /nfs/dbraw/zinc/81/48/48/352814848.db2.gz KQDDOTMQBBCSGV-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCC[C@H]1C[NH3+] 575587965 352814862 /nfs/dbraw/zinc/81/48/62/352814862.db2.gz KQDDOTMQBBCSGV-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCC[C@H]1C[NH3+] 575587967 352814977 /nfs/dbraw/zinc/81/49/77/352814977.db2.gz KQDDOTMQBBCSGV-VHSXEESVSA-N 2 0 182.311 1.598 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1[N@@H+]1CCC12CCC2 575587975 352815074 /nfs/dbraw/zinc/81/50/74/352815074.db2.gz KRKQLIPPVWPSFW-NXEZZACHSA-N 2 0 180.295 1.495 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CCC12CCC2 575587978 352815090 /nfs/dbraw/zinc/81/50/90/352815090.db2.gz KRKQLIPPVWPSFW-ZJUUUORDSA-N 2 0 180.295 1.495 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1[N@@H+]1CCC12CCC2 575587977 352815102 /nfs/dbraw/zinc/81/51/02/352815102.db2.gz KRKQLIPPVWPSFW-VHSXEESVSA-N 2 0 180.295 1.495 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2C[NH3+])[C@@H]1C 575588105 352815823 /nfs/dbraw/zinc/81/58/23/352815823.db2.gz COTAWFLHDQFUOS-CHWFTXMASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[C@H]1C[NH3+] 575588111 352815881 /nfs/dbraw/zinc/81/58/81/352815881.db2.gz COTAWFLHDQFUOS-VPOLOUISSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 575588109 352815946 /nfs/dbraw/zinc/81/59/46/352815946.db2.gz COTAWFLHDQFUOS-LMLFDSFASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C 575588107 352816205 /nfs/dbraw/zinc/81/62/05/352816205.db2.gz COTAWFLHDQFUOS-GWOFURMSSA-N 2 0 182.311 1.454 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1CCC12CCC2 575588280 352816831 /nfs/dbraw/zinc/81/68/31/352816831.db2.gz AGGHMZSHRVFTMN-UHFFFAOYSA-N 2 0 168.284 1.352 10 0 ADAERP C[C@@H]1CN([C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 575588585 352818338 /nfs/dbraw/zinc/81/83/38/352818338.db2.gz CCONTXFKRDTXAP-GWOFURMSSA-N 2 0 182.311 1.467 10 0 ADAERP C[C@H]1[C@H](C)CN1[C@@H]1CCC[NH2+][C@@H]1C 575588581 352818378 /nfs/dbraw/zinc/81/83/78/352818378.db2.gz CCONTXFKRDTXAP-CHWFTXMASA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1N1C[C@@H](C)[C@H]1C 575588589 352818455 /nfs/dbraw/zinc/81/84/55/352818455.db2.gz CCONTXFKRDTXAP-LMLFDSFASA-N 2 0 182.311 1.467 10 0 ADAERP C[C@@H]1[NH2+]CCC[C@H]1N1C[C@@H](C)[C@@H]1C 575588593 352818546 /nfs/dbraw/zinc/81/85/46/352818546.db2.gz CCONTXFKRDTXAP-VPOLOUISSA-N 2 0 182.311 1.467 10 0 ADAERP CC(C)(C[NH3+])[N@@H+]1CCC1(C)C 575588903 352820286 /nfs/dbraw/zinc/82/02/86/352820286.db2.gz MQHQHXPGXTULEP-UHFFFAOYSA-N 2 0 156.273 1.208 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 575588983 352820334 /nfs/dbraw/zinc/82/03/34/352820334.db2.gz FOAWNPJTBNHPLW-NXEZZACHSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 575588995 352820444 /nfs/dbraw/zinc/82/04/44/352820444.db2.gz FOAWNPJTBNHPLW-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 575588994 352820566 /nfs/dbraw/zinc/82/05/66/352820566.db2.gz FOAWNPJTBNHPLW-VHSXEESVSA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)CC[N@@H+]1C[C@H]1CC[C@H]([NH3+])C1 575588992 352820616 /nfs/dbraw/zinc/82/06/16/352820616.db2.gz FOAWNPJTBNHPLW-UWVGGRQHSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@](C)(C[NH3+])[N@@H+]1CC[C@H]1C 575589117 352821103 /nfs/dbraw/zinc/82/11/03/352821103.db2.gz GUSRREDNEMGSDK-RKDXNWHRSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@H]1CC[N@@H+]1C[C@H]1C[NH2+]CC[C@H]1C 575589190 352821149 /nfs/dbraw/zinc/82/11/49/352821149.db2.gz CKOJRGKSNFWMLY-OUAUKWLOSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@@H]1CC[NH2+]C[C@H]1C[N@H+]1CC[C@H]1C 575589189 352821180 /nfs/dbraw/zinc/82/11/80/352821180.db2.gz CKOJRGKSNFWMLY-MXWKQRLJSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1C(C)(C)C[NH3+] 575589086 352821368 /nfs/dbraw/zinc/82/13/68/352821368.db2.gz OKCOQKLZVXMXFZ-SFYZADRCSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@@H]1C[N@@H+](C(C)(C)C[NH3+])[C@@H]1C 575589082 352821405 /nfs/dbraw/zinc/82/14/05/352821405.db2.gz OKCOQKLZVXMXFZ-HTQZYQBOSA-N 2 0 156.273 1.064 10 0 ADAERP CC[C@](C)(C[NH3+])[N@@H+]1CC[C@@H]1C 575589115 352821448 /nfs/dbraw/zinc/82/14/48/352821448.db2.gz GUSRREDNEMGSDK-DTWKUNHWSA-N 2 0 156.273 1.208 10 0 ADAERP CC[C@@](C)(C[NH3+])[N@@H+]1CC[C@@H]1C 575589116 352821481 /nfs/dbraw/zinc/82/14/81/352821481.db2.gz GUSRREDNEMGSDK-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@H]1C[N@@H+](C(C)(C)C[NH3+])[C@@H]1C 575589083 352821524 /nfs/dbraw/zinc/82/15/24/352821524.db2.gz OKCOQKLZVXMXFZ-JGVFFNPUSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@@H]1CC[NH2+]C[C@@H]1C[N@H+]1CC[C@H]1C 575589188 352821534 /nfs/dbraw/zinc/82/15/34/352821534.db2.gz CKOJRGKSNFWMLY-GMTAPVOTSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]1CC[N@@H+]1C[C@@H]1C[NH2+]CC[C@H]1C 575589191 352821589 /nfs/dbraw/zinc/82/15/89/352821589.db2.gz CKOJRGKSNFWMLY-VWYCJHECSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@](C)(C[NH3+])[N@@H+]1CC[C@H]1C 575589112 352821597 /nfs/dbraw/zinc/82/15/97/352821597.db2.gz GUSRREDNEMGSDK-BDAKNGLRSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@H]1C[N@@H+](C(C)(C)C[NH3+])[C@H]1C 575589087 352821640 /nfs/dbraw/zinc/82/16/40/352821640.db2.gz OKCOQKLZVXMXFZ-YUMQZZPRSA-N 2 0 156.273 1.064 10 0 ADAERP C[C@H]1CC[N@H+]1[C@@H](C)C1CC[NH2+]CC1 575589217 352822260 /nfs/dbraw/zinc/82/22/60/352822260.db2.gz CNTMAMMKYOIIQV-UWVGGRQHSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1CC[N@H+]1[C@H](C)C1CC[NH2+]CC1 575589216 352822409 /nfs/dbraw/zinc/82/24/09/352822409.db2.gz CNTMAMMKYOIIQV-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1CC[N@H+]1[C@H](C)C1CC[NH2+]CC1 575589218 352822447 /nfs/dbraw/zinc/82/24/47/352822447.db2.gz CNTMAMMKYOIIQV-VHSXEESVSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H](C1CC[NH2+]CC1)[N@@H+]1CC[C@H]1C 575589224 352822472 /nfs/dbraw/zinc/82/24/72/352822472.db2.gz CNTMAMMKYOIIQV-ZJUUUORDSA-N 2 0 182.311 1.469 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCC[NH2+]CC1 575589847 352824262 /nfs/dbraw/zinc/82/42/62/352824262.db2.gz HJZPERSRRZQYFD-SNVBAGLBSA-N 2 0 182.311 1.613 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCC[NH2+]CC1 575589841 352824862 /nfs/dbraw/zinc/82/48/62/352824862.db2.gz HJZPERSRRZQYFD-JTQLQIEISA-N 2 0 182.311 1.613 10 0 ADAERP CC1(C)CC[N@@H+]1CC1CC([NH3+])C1 575589992 352825223 /nfs/dbraw/zinc/82/52/23/352825223.db2.gz JEJZPGZDZKMLOD-UHFFFAOYSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC1(C)C 575590147 352826012 /nfs/dbraw/zinc/82/60/12/352826012.db2.gz ZWNPPOHKNZNQAJ-BBBLOLIVSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC1(C)C 575590152 352826161 /nfs/dbraw/zinc/82/61/61/352826161.db2.gz ZWNPPOHKNZNQAJ-OPRDCNLKSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC1(C)C 575590149 352826405 /nfs/dbraw/zinc/82/64/05/352826405.db2.gz ZWNPPOHKNZNQAJ-KXUCPTDWSA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC1(C)C 575590155 352826559 /nfs/dbraw/zinc/82/65/59/352826559.db2.gz ZWNPPOHKNZNQAJ-UTLUCORTSA-N 2 0 182.311 1.454 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@H]3CCCC[C@H]32)CC1 575590322 352826755 /nfs/dbraw/zinc/82/67/55/352826755.db2.gz RKNQDIPVAWVPNI-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP C[C@H](CC[NH3+])[N@@H+]1CCC1(C)C 575590268 352826777 /nfs/dbraw/zinc/82/67/77/352826777.db2.gz QXYPHYYTMBNIGY-MRVPVSSYSA-N 2 0 156.273 1.208 10 0 ADAERP C[C@@H](CC[NH3+])[N@@H+]1CCC1(C)C 575590275 352826828 /nfs/dbraw/zinc/82/68/28/352826828.db2.gz QXYPHYYTMBNIGY-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@@H]3CCCC[C@H]32)CC1 575590331 352827002 /nfs/dbraw/zinc/82/70/02/352827002.db2.gz RKNQDIPVAWVPNI-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]CC1([N@@H+]2C[C@H]3CCCC[C@@H]32)CC1 575590333 352827253 /nfs/dbraw/zinc/82/72/53/352827253.db2.gz RKNQDIPVAWVPNI-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C1CC(C[N@@H+]2CCC23CCC3)C1 575590567 352828093 /nfs/dbraw/zinc/82/80/93/352828093.db2.gz TUQXVBNVTJQVES-UHFFFAOYSA-N 2 0 180.295 1.352 10 0 ADAERP CC1CC(C[NH3+])([N@@H+]2CCC2(C)C)C1 575590548 352828117 /nfs/dbraw/zinc/82/81/17/352828117.db2.gz SZIAWWKKWVMDID-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 575590651 352828527 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MQEGNXVFETYMII-GARJFASQSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1CC[N@@H+]1C[C@@H]1CC[C@@H](C)[NH2+]C1 575591833 352834727 /nfs/dbraw/zinc/83/47/27/352834727.db2.gz LYIPEFHDNMMOMH-OUAUKWLOSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1C[C@@H]([NH3+])C1(C)C 575591943 352834897 /nfs/dbraw/zinc/83/48/97/352834897.db2.gz NEVZWUPPVZXBQZ-UTINFBMNSA-N 2 0 182.311 1.452 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 575592192 352836006 /nfs/dbraw/zinc/83/60/06/352836006.db2.gz PAASUERLUKLRMA-XFWSIPNHSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 575592189 352836018 /nfs/dbraw/zinc/83/60/18/352836018.db2.gz PAASUERLUKLRMA-DOLQZWNJSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1C 575592193 352836048 /nfs/dbraw/zinc/83/60/48/352836048.db2.gz PAASUERLUKLRMA-ZYUZMQFOSA-N 2 0 168.284 1.206 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 575592190 352836187 /nfs/dbraw/zinc/83/61/87/352836187.db2.gz PAASUERLUKLRMA-UTINFBMNSA-N 2 0 168.284 1.206 10 0 ADAERP CC1(C)CC[N@@H+]1C1CCC([NH3+])CC1 575592134 352836260 /nfs/dbraw/zinc/83/62/60/352836260.db2.gz RXRLZFWZZPVXQF-UHFFFAOYSA-N 2 0 182.311 1.741 10 0 ADAERP C[C@H]1[C@H](C)CN1[C@@H]1CC[NH2+]C[C@H]1F 575592325 352837036 /nfs/dbraw/zinc/83/70/36/352837036.db2.gz QQCKGFDTTMBWSC-UTINFBMNSA-N 2 0 186.274 1.027 10 0 ADAERP C[C@@H]1CN([C@@H]2CC[NH2+]C[C@H]2F)[C@@H]1C 575592328 352837079 /nfs/dbraw/zinc/83/70/79/352837079.db2.gz QQCKGFDTTMBWSC-ZYUZMQFOSA-N 2 0 186.274 1.027 10 0 ADAERP C[C@H]1[C@H](C)CN1[C@@H]1CC[NH2+]C[C@@H]1F 575592327 352837119 /nfs/dbraw/zinc/83/71/19/352837119.db2.gz QQCKGFDTTMBWSC-XFWSIPNHSA-N 2 0 186.274 1.027 10 0 ADAERP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)[C@H]1C 575592296 352837156 /nfs/dbraw/zinc/83/71/56/352837156.db2.gz SVGNNDLUJKEJDJ-IUCAKERBSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@H]1[C@H](C)C[N@H+]1C1CC[NH2+]CC1 575592291 352837172 /nfs/dbraw/zinc/83/71/72/352837172.db2.gz SVGNNDLUJKEJDJ-BDAKNGLRSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)[C@@H]1C 575592300 352837214 /nfs/dbraw/zinc/83/72/14/352837214.db2.gz SVGNNDLUJKEJDJ-RKDXNWHRSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)[C@@H]1C 575592293 352837435 /nfs/dbraw/zinc/83/74/35/352837435.db2.gz SVGNNDLUJKEJDJ-DTWKUNHWSA-N 2 0 168.284 1.079 10 0 ADAERP C[C@@H]1CN([C@@H]2CC[NH2+]C[C@@H]2F)[C@@H]1C 575592324 352837594 /nfs/dbraw/zinc/83/75/94/352837594.db2.gz QQCKGFDTTMBWSC-DOLQZWNJSA-N 2 0 186.274 1.027 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@H]21 575592425 352837955 /nfs/dbraw/zinc/83/79/55/352837955.db2.gz RWROPPFBJXGIGJ-XWLWVQCSSA-N 2 0 182.311 1.597 10 0 ADAERP C[C@@H]1CC[N@@H+]1C[C@@H]1CCC[C@H]1[NH3+] 575592474 352838135 /nfs/dbraw/zinc/83/81/35/352838135.db2.gz TXGIZLQEPZPMMW-KXUCPTDWSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C[C@H]2C)[C@@H]1C 575592480 352838147 /nfs/dbraw/zinc/83/81/47/352838147.db2.gz 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0 180.295 1.210 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([N@@H+]2CCC23CCC3)C1 575595362 352854531 /nfs/dbraw/zinc/85/45/31/352854531.db2.gz FKLHRQYNKGXMJR-NXEZZACHSA-N 2 0 180.295 1.495 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([N@@H+]2CCC23CCC3)C1 575595365 352854553 /nfs/dbraw/zinc/85/45/53/352854553.db2.gz FKLHRQYNKGXMJR-ZJUUUORDSA-N 2 0 180.295 1.495 10 0 ADAERP CC1(C)CC[N@@H+]1[C@H]1CCC[C@@H]([NH3+])C1 575595278 352854825 /nfs/dbraw/zinc/85/48/25/352854825.db2.gz ZVDFJQOUPKSAPS-ZJUUUORDSA-N 2 0 182.311 1.741 10 0 ADAERP CC1(C)CC[N@@H+]1[C@@H]1CCC[C@@H]([NH3+])C1 575595275 352854866 /nfs/dbraw/zinc/85/48/66/352854866.db2.gz ZVDFJQOUPKSAPS-NXEZZACHSA-N 2 0 182.311 1.741 10 0 ADAERP C[C@@]1([NH3+])CC[N@H+](C[C@H]2CC23CC3)C1 575595250 352854879 /nfs/dbraw/zinc/85/48/79/352854879.db2.gz YXHZMTBDBQEWCO-NXEZZACHSA-N 2 0 180.295 1.210 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC12CCC2 575595381 352855100 /nfs/dbraw/zinc/85/51/00/352855100.db2.gz GJGCTACHNYNXRQ-DTWKUNHWSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC12CCC2 575595380 352855171 /nfs/dbraw/zinc/85/51/71/352855171.db2.gz GJGCTACHNYNXRQ-BDAKNGLRSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC12CCC2 575595382 352855260 /nfs/dbraw/zinc/85/52/60/352855260.db2.gz GJGCTACHNYNXRQ-IUCAKERBSA-N 2 0 168.284 1.351 10 0 ADAERP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCC12CCC2 575595383 352855349 /nfs/dbraw/zinc/85/53/49/352855349.db2.gz GJGCTACHNYNXRQ-RKDXNWHRSA-N 2 0 168.284 1.351 10 0 ADAERP [NH3+]C1CC([N@@H+]2CCC23CCC3)C1 575595501 352855456 /nfs/dbraw/zinc/85/54/56/352855456.db2.gz MBBVDEYHXXRAGP-UHFFFAOYSA-N 2 0 166.268 1.105 10 0 ADAERP [NH3+][C@H]1C[C@H](C[N@@H+]2CCC23CCC3)C1 575595689 352856270 /nfs/dbraw/zinc/85/62/70/352856270.db2.gz TUQXVBNVTJQVES-MGCOHNPYSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC12CCC2 575595698 352855854 /nfs/dbraw/zinc/85/58/54/352855854.db2.gz UDRBEXWDPREWEA-UWVGGRQHSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C[C@H]1CC[C@@H]1[N@@H+]1CCC12CCC2 575595700 352855890 /nfs/dbraw/zinc/85/58/90/352855890.db2.gz UDRBEXWDPREWEA-ZJUUUORDSA-N 2 0 180.295 1.352 10 0 ADAERP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCC12CCC2 575595699 352856020 /nfs/dbraw/zinc/85/60/20/352856020.db2.gz UDRBEXWDPREWEA-VHSXEESVSA-N 2 0 180.295 1.352 10 0 ADAERP C1CCC2(C1)CC[N@H+]2CC1C[NH2+]C1 575595644 352856063 /nfs/dbraw/zinc/85/60/63/352856063.db2.gz PYXBVGZQUZRREV-UHFFFAOYSA-N 2 0 180.295 1.224 10 0 ADAERP [NH3+]C1CC([N@@H+]2CCC23CCCC3)C1 575595693 352856225 /nfs/dbraw/zinc/85/62/25/352856225.db2.gz TZWWCGGQAZGVBS-UHFFFAOYSA-N 2 0 180.295 1.495 10 0 ADAERP [NH3+]C[C@H]1CC[C@H]1[N@@H+]1CCC12CCC2 575595697 352856281 /nfs/dbraw/zinc/85/62/81/352856281.db2.gz UDRBEXWDPREWEA-NXEZZACHSA-N 2 0 180.295 1.352 10 0 ADAERP C1[NH2+]CC1C[NH+]1CCC2(CC1)CC2 575595560 352856371 /nfs/dbraw/zinc/85/63/71/352856371.db2.gz OZSVQHHNICXMOI-UHFFFAOYSA-N 2 0 180.295 1.082 10 0 ADAERP [NH3+]C1CC([NH+]2CCC3(CC2)CC3)C1 575595848 352856578 /nfs/dbraw/zinc/85/65/78/352856578.db2.gz 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182.311 1.741 10 0 ADAERP CCC[NH+]1CCC(F)(C[NH3+])CC1 575622654 352867543 /nfs/dbraw/zinc/86/75/43/352867543.db2.gz NWYPOHXZRARWGZ-UHFFFAOYSA-N 2 0 174.263 1.159 10 0 ADAERP C[NH+](C)[C@H]1CC[C@@H]([NH3+])C(C)(C)C1 584615001 352906838 /nfs/dbraw/zinc/90/68/38/352906838.db2.gz FFGQZESJSARTCR-DTWKUNHWSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH+](C)[C@H]1CC[C@H]([NH3+])C(C)(C)C1 584615002 352906841 /nfs/dbraw/zinc/90/68/41/352906841.db2.gz FFGQZESJSARTCR-IUCAKERBSA-N 2 0 170.300 1.454 10 0 ADAERP C[NH+](C)[C@@H]1CC[C@H]([NH3+])C(C)(C)C1 584614998 352906843 /nfs/dbraw/zinc/90/68/43/352906843.db2.gz FFGQZESJSARTCR-BDAKNGLRSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 643075356 352936474 /nfs/dbraw/zinc/93/64/74/352936474.db2.gz BQAVEIYSGMHPAG-VGMNWLOBSA-N 2 0 156.273 1.206 10 0 ADAERP CC1(C[NH+]2CCC3(CC[NH2+]3)CC2)CC1 643427623 352950802 /nfs/dbraw/zinc/95/08/02/352950802.db2.gz SFXACMVECRPZBS-UHFFFAOYSA-N 2 0 194.322 1.614 10 0 ADAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C1CCCC1 643454042 352952550 /nfs/dbraw/zinc/95/25/50/352952550.db2.gz HEDFFTKEHVDZBB-NXEZZACHSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+][C@H](C)C1CCCC1)C1C[NH2+]C1 643454045 352952557 /nfs/dbraw/zinc/95/25/57/352952557.db2.gz HEDFFTKEHVDZBB-ZJUUUORDSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643453719 352952569 /nfs/dbraw/zinc/95/25/69/352952569.db2.gz VPMXGTKWQJZVRB-IMVDIYLYSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCC[NH2+]C1 643453492 352952640 /nfs/dbraw/zinc/95/26/40/352952640.db2.gz HHKLJWDVJVTJME-YTWAJWBKSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCC[NH2+]C1 643453122 352952654 /nfs/dbraw/zinc/95/26/54/352952654.db2.gz IRLUPUMPVVFDFQ-ZYHUDNBSSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CCCC1 643454043 352952656 /nfs/dbraw/zinc/95/26/56/352952656.db2.gz HEDFFTKEHVDZBB-UWVGGRQHSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643453490 352952694 /nfs/dbraw/zinc/95/26/94/352952694.db2.gz HHKLJWDVJVTJME-DBIOUOCHSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@H]1C[C@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643453718 352952706 /nfs/dbraw/zinc/95/27/06/352952706.db2.gz VPMXGTKWQJZVRB-FCGXGWFWSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCC[NH2+]C1 643453119 352952709 /nfs/dbraw/zinc/95/27/09/352952709.db2.gz IRLUPUMPVVFDFQ-CMPLNLGQSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]1C[C@@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643453721 352952760 /nfs/dbraw/zinc/95/27/60/352952760.db2.gz VPMXGTKWQJZVRB-KLDZRKOQSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C1CCCC1 643454044 352952822 /nfs/dbraw/zinc/95/28/22/352952822.db2.gz HEDFFTKEHVDZBB-VHSXEESVSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643453720 352952796 /nfs/dbraw/zinc/95/27/96/352952796.db2.gz VPMXGTKWQJZVRB-IXVVEVSDSA-N 2 0 180.295 1.267 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643453493 352952846 /nfs/dbraw/zinc/95/28/46/352952846.db2.gz HHKLJWDVJVTJME-ZNSHCXBVSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CCC[NH2+]C1 643453491 352952855 /nfs/dbraw/zinc/95/28/55/352952855.db2.gz HHKLJWDVJVTJME-RCWTZXSCSA-N 2 0 182.311 1.373 10 0 ADAERP CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643454186 352952859 /nfs/dbraw/zinc/95/28/59/352952859.db2.gz RFXWBZPIGHREIZ-NXEZZACHSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCC[NH2+]C1 643453121 352952925 /nfs/dbraw/zinc/95/29/25/352952925.db2.gz IRLUPUMPVVFDFQ-PWSUYJOCSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]([NH2+]CC1CCC1)[C@H]1CCC[NH2+]C1 643453120 352952959 /nfs/dbraw/zinc/95/29/59/352952959.db2.gz IRLUPUMPVVFDFQ-JQWIXIFHSA-N 2 0 196.338 1.764 10 0 ADAERP CCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643454216 352953335 /nfs/dbraw/zinc/95/33/35/352953335.db2.gz ICCIJFSYABEYHZ-GHMZBOCLSA-N 2 0 184.327 1.764 10 0 ADAERP 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/nfs/dbraw/zinc/95/37/89/352953789.db2.gz RFXWBZPIGHREIZ-ZJUUUORDSA-N 2 0 170.300 1.374 10 0 ADAERP CCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 643454219 352953805 /nfs/dbraw/zinc/95/38/05/352953805.db2.gz ICCIJFSYABEYHZ-WDEREUQCSA-N 2 0 184.327 1.764 10 0 ADAERP CCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 643454218 352953816 /nfs/dbraw/zinc/95/38/16/352953816.db2.gz ICCIJFSYABEYHZ-QWRGUYRKSA-N 2 0 184.327 1.764 10 0 ADAERP CCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643454217 352953878 /nfs/dbraw/zinc/95/38/78/352953878.db2.gz ICCIJFSYABEYHZ-MNOVXSKESA-N 2 0 184.327 1.764 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643456882 352954157 /nfs/dbraw/zinc/95/41/57/352954157.db2.gz KYRWLJUBUJVWKP-OUAUKWLOSA-N 2 0 186.343 1.994 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643456859 352954183 /nfs/dbraw/zinc/95/41/83/352954183.db2.gz GFLUDLNUTHTWPE-OUAUKWLOSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@@H]([NH2+]CC1CCCCC1)C1C[NH2+]C1 643455625 352954279 /nfs/dbraw/zinc/95/42/79/352954279.db2.gz HSNYUWDURMNZKF-SNVBAGLBSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 643456857 352954299 /nfs/dbraw/zinc/95/42/99/352954299.db2.gz GFLUDLNUTHTWPE-GMTAPVOTSA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)[C@@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643456881 352954334 /nfs/dbraw/zinc/95/43/34/352954334.db2.gz KYRWLJUBUJVWKP-GARJFASQSA-N 2 0 186.343 1.994 10 0 ADAERP CC(C)[C@@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 643456880 352954471 /nfs/dbraw/zinc/95/44/71/352954471.db2.gz KYRWLJUBUJVWKP-DCAQKATOSA-N 2 0 186.343 1.994 10 0 ADAERP C[C@H]([NH2+]CC1CCCCC1)C1C[NH2+]C1 643455624 352954489 /nfs/dbraw/zinc/95/44/89/352954489.db2.gz HSNYUWDURMNZKF-JTQLQIEISA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 643456858 352954637 /nfs/dbraw/zinc/95/46/37/352954637.db2.gz GFLUDLNUTHTWPE-MXWKQRLJSA-N 2 0 184.327 1.748 10 0 ADAERP CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 643456860 352954712 /nfs/dbraw/zinc/95/47/12/352954712.db2.gz 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196.338 1.908 10 0 ADAERP CC1(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 643486474 352963452 /nfs/dbraw/zinc/96/34/52/352963452.db2.gz MWPJQTJEIMSQHM-NSHDSACASA-N 2 0 196.338 1.908 10 0 ADAERP C[C@H]([NH2+]CCC1(C)CC1)[C@@H]1CC[NH2+]C1 643486449 352963464 /nfs/dbraw/zinc/96/34/64/352963464.db2.gz BKKCZOCKELLZSN-WDEREUQCSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@H]1CCCC[NH2+]1 643489021 352963493 /nfs/dbraw/zinc/96/34/93/352963493.db2.gz JUIHYXWCJZPHOB-WRWGMCAJSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C 643489031 352963562 /nfs/dbraw/zinc/96/35/62/352963562.db2.gz KPSJLMOUWZEBRT-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643489004 352963607 /nfs/dbraw/zinc/96/36/07/352963607.db2.gz GVEOIBTVUIWTAU-NXQJVVEESA-N 2 0 194.322 1.658 10 0 ADAERP CC1(CC[NH2+]C2CC[NH2+]CC2)CC1 643486479 352963614 /nfs/dbraw/zinc/96/36/14/352963614.db2.gz OMLAKHOXVMSLKB-UHFFFAOYSA-N 2 0 182.311 1.518 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1[NH3+] 643488961 352963620 /nfs/dbraw/zinc/96/36/20/352963620.db2.gz BFZXUGZHPGDJCP-KATARQTJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C 643489038 352963634 /nfs/dbraw/zinc/96/36/34/352963634.db2.gz KPSJLMOUWZEBRT-QCNOEVLYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643488999 352963644 /nfs/dbraw/zinc/96/36/44/352963644.db2.gz GVEOIBTVUIWTAU-ARHMULMVSA-N 2 0 194.322 1.658 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643488962 352963681 /nfs/dbraw/zinc/96/36/81/352963681.db2.gz BFZXUGZHPGDJCP-XFWSIPNHSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[NH3+] 643488956 352963694 /nfs/dbraw/zinc/96/36/94/352963694.db2.gz BFZXUGZHPGDJCP-DOLQZWNJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1CCCC[NH2+]1 643489019 352963697 /nfs/dbraw/zinc/96/36/97/352963697.db2.gz JUIHYXWCJZPHOB-KXNHARMFSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1[NH3+] 643488958 352963701 /nfs/dbraw/zinc/96/37/01/352963701.db2.gz BFZXUGZHPGDJCP-IMSYWVGJSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H]([NH2+]CCC1(C)CC1)[C@H]1CC[NH2+]C1 643486448 352963724 /nfs/dbraw/zinc/96/37/24/352963724.db2.gz BKKCZOCKELLZSN-QWRGUYRKSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@@H]1CC[C@H]1[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 643489016 352963729 /nfs/dbraw/zinc/96/37/29/352963729.db2.gz JUIHYXWCJZPHOB-DDHJBXDOSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643489002 352963738 /nfs/dbraw/zinc/96/37/38/352963738.db2.gz GVEOIBTVUIWTAU-LAVVOLMRSA-N 2 0 194.322 1.658 10 0 ADAERP C[C@@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]1 643489042 352964206 /nfs/dbraw/zinc/96/42/06/352964206.db2.gz LKARLJROTPWRPU-DBIOUOCHSA-N 2 0 182.311 1.515 10 0 ADAERP C[C@H](F)CC[NH2+][C@@H]1CCC[NH2+]CC1 643490987 352964216 /nfs/dbraw/zinc/96/42/16/352964216.db2.gz JKVSFLDWMZYURR-VHSXEESVSA-N 2 0 188.290 1.466 10 0 ADAERP C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]C1 643489056 352964361 /nfs/dbraw/zinc/96/43/61/352964361.db2.gz MOJFHYDKRYJIDB-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@H]([NH2+][C@H]1CC[C@@H]1C)[C@@H]1CCC[NH2+]1 643489072 352964226 /nfs/dbraw/zinc/96/42/26/352964226.db2.gz OYHLLROBYSYQAW-BJDJZHNGSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]1 643489046 352964268 /nfs/dbraw/zinc/96/42/68/352964268.db2.gz LKARLJROTPWRPU-YTWAJWBKSA-N 2 0 182.311 1.515 10 0 ADAERP CC[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]1 643489073 352964308 /nfs/dbraw/zinc/96/43/08/352964308.db2.gz OYHLLROBYSYQAW-KXNHARMFSA-N 2 0 196.338 1.905 10 0 ADAERP CC[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCC[NH2+]1 643489074 352964366 /nfs/dbraw/zinc/96/43/66/352964366.db2.gz OYHLLROBYSYQAW-RHYQMDGZSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCCCF 643490217 352964372 /nfs/dbraw/zinc/96/43/72/352964372.db2.gz XHLGGCMGALJZAG-DTWKUNHWSA-N 2 0 176.279 1.452 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643489055 352964388 /nfs/dbraw/zinc/96/43/88/352964388.db2.gz MOJFHYDKRYJIDB-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643489059 352964392 /nfs/dbraw/zinc/96/43/92/352964392.db2.gz MOJFHYDKRYJIDB-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1CC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643489044 352964408 /nfs/dbraw/zinc/96/44/08/352964408.db2.gz LKARLJROTPWRPU-GWOFURMSSA-N 2 0 182.311 1.515 10 0 ADAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H]1C 643489041 352964435 /nfs/dbraw/zinc/96/44/35/352964435.db2.gz KPSJLMOUWZEBRT-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H](F)CC[NH2+][C@H]1CCC[NH2+]CC1 643490986 352964446 /nfs/dbraw/zinc/96/44/46/352964446.db2.gz JKVSFLDWMZYURR-UWVGGRQHSA-N 2 0 188.290 1.466 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCF 643490218 352964454 /nfs/dbraw/zinc/96/44/54/352964454.db2.gz XHLGGCMGALJZAG-IUCAKERBSA-N 2 0 176.279 1.452 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[C@@H]1C 643489082 352964460 /nfs/dbraw/zinc/96/44/60/352964460.db2.gz PLSYBKKGYAYUFT-XKNYDFJKSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@H]1CCC[NH2+]1 643489045 352964468 /nfs/dbraw/zinc/96/44/68/352964468.db2.gz LKARLJROTPWRPU-LMLFDSFASA-N 2 0 182.311 1.515 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[C@H]1C 643489079 352964472 /nfs/dbraw/zinc/96/44/72/352964472.db2.gz PLSYBKKGYAYUFT-KATARQTJSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCF 643490219 352964518 /nfs/dbraw/zinc/96/45/18/352964518.db2.gz XHLGGCMGALJZAG-RKDXNWHRSA-N 2 0 176.279 1.452 10 0 ADAERP C[C@@H](F)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643490996 352964525 /nfs/dbraw/zinc/96/45/25/352964525.db2.gz KKUZGUZIXUMDFA-BBBLOLIVSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]1C 643489081 352964551 /nfs/dbraw/zinc/96/45/51/352964551.db2.gz PLSYBKKGYAYUFT-XFWSIPNHSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C 643489039 352964602 /nfs/dbraw/zinc/96/46/02/352964602.db2.gz KPSJLMOUWZEBRT-USZNOCQGSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CCC[NH2+]C1 643489057 352964645 /nfs/dbraw/zinc/96/46/45/352964645.db2.gz MOJFHYDKRYJIDB-RHYQMDGZSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H](F)CC[NH2+][C@H]1CCC[NH2+]CC1 643490988 352964674 /nfs/dbraw/zinc/96/46/74/352964674.db2.gz JKVSFLDWMZYURR-ZJUUUORDSA-N 2 0 188.290 1.466 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C 643489076 352964682 /nfs/dbraw/zinc/96/46/82/352964682.db2.gz PLSYBKKGYAYUFT-AATLWQCWSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@@H](F)CC[NH2+][C@@H]1CCC[NH2+]CC1 643490985 352964711 /nfs/dbraw/zinc/96/47/11/352964711.db2.gz JKVSFLDWMZYURR-NXEZZACHSA-N 2 0 188.290 1.466 10 0 ADAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)[C@@H]1CCC[NH2+]1 643489075 352964720 /nfs/dbraw/zinc/96/47/20/352964720.db2.gz OYHLLROBYSYQAW-YFKTTZPYSA-N 2 0 196.338 1.905 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCCCF 643490216 352964753 /nfs/dbraw/zinc/96/47/53/352964753.db2.gz XHLGGCMGALJZAG-BDAKNGLRSA-N 2 0 176.279 1.452 10 0 ADAERP C[C@H](F)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643490995 352964793 /nfs/dbraw/zinc/96/47/93/352964793.db2.gz KKUZGUZIXUMDFA-AEJSXWLSSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643491000 352965212 /nfs/dbraw/zinc/96/52/12/352965212.db2.gz KKUZGUZIXUMDFA-LPEHRKFASA-N 2 0 188.290 1.465 10 0 ADAERP C[C@@H](F)CC[NH2+]C1CCC([NH3+])CC1 643491022 352965271 /nfs/dbraw/zinc/96/52/71/352965271.db2.gz QESBYOQTEMPVSM-XNWIYYODSA-N 2 0 188.290 1.594 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC[C@H](C)F 643491040 352965278 /nfs/dbraw/zinc/96/52/78/352965278.db2.gz UKUALXFDQPUCMZ-XHNCKOQMSA-N 2 0 176.279 1.450 10 0 ADAERP C[C@@H](F)CC[NH2+][C@H](C)CCCC[NH3+] 643491031 352965285 /nfs/dbraw/zinc/96/52/85/352965285.db2.gz SORMZJAVJYIGRU-NXEZZACHSA-N 2 0 190.306 1.842 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H](C)F 643491037 352965533 /nfs/dbraw/zinc/96/55/33/352965533.db2.gz UKUALXFDQPUCMZ-CIUDSAMLSA-N 2 0 176.279 1.450 10 0 ADAERP C[C@@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])C1CC1 643491958 352965316 /nfs/dbraw/zinc/96/53/16/352965316.db2.gz GKNHGROJZPRTRX-SZEHBUNVSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H]([NH2+]CC[C@@H](C)F)[C@H]1CCC[NH2+]1 643490999 352965350 /nfs/dbraw/zinc/96/53/50/352965350.db2.gz KKUZGUZIXUMDFA-KXUCPTDWSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@H](F)CC[NH2+]C1CCC([NH3+])CC1 643491021 352965370 /nfs/dbraw/zinc/96/53/70/352965370.db2.gz QESBYOQTEMPVSM-IDKOKCKLSA-N 2 0 188.290 1.594 10 0 ADAERP C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 643491026 352965382 /nfs/dbraw/zinc/96/53/82/352965382.db2.gz QQUODGGVFMYYID-LPEHRKFASA-N 2 0 188.290 1.452 10 0 ADAERP C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643490997 352965394 /nfs/dbraw/zinc/96/53/94/352965394.db2.gz KKUZGUZIXUMDFA-GUBZILKMSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@H](F)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643490998 352965407 /nfs/dbraw/zinc/96/54/07/352965407.db2.gz KKUZGUZIXUMDFA-IVZWLZJFSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@@H]([NH2+][C@H]1CCC[C@H]1[NH3+])C1CC1 643491957 352965420 /nfs/dbraw/zinc/96/54/20/352965420.db2.gz GKNHGROJZPRTRX-QNSHHTMESA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H](F)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] 643491024 352965434 /nfs/dbraw/zinc/96/54/34/352965434.db2.gz QQUODGGVFMYYID-GUBZILKMSA-N 2 0 188.290 1.452 10 0 ADAERP C[C@H](F)CC[NH2+][C@H](C)CCCC[NH3+] 643491033 352965459 /nfs/dbraw/zinc/96/54/59/352965459.db2.gz SORMZJAVJYIGRU-VHSXEESVSA-N 2 0 190.306 1.842 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H](C)F 643491039 352965462 /nfs/dbraw/zinc/96/54/62/352965462.db2.gz UKUALXFDQPUCMZ-VGMNWLOBSA-N 2 0 176.279 1.450 10 0 ADAERP C[C@H](F)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 643491023 352965485 /nfs/dbraw/zinc/96/54/85/352965485.db2.gz QQUODGGVFMYYID-AEJSXWLSSA-N 2 0 188.290 1.452 10 0 ADAERP C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 643491025 352965500 /nfs/dbraw/zinc/96/55/00/352965500.db2.gz QQUODGGVFMYYID-IVZWLZJFSA-N 2 0 188.290 1.452 10 0 ADAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H](C)F 643491034 352965525 /nfs/dbraw/zinc/96/55/25/352965525.db2.gz SORMZJAVJYIGRU-ZJUUUORDSA-N 2 0 190.306 1.842 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC[C@@H](C)F 643491038 352965552 /nfs/dbraw/zinc/96/55/52/352965552.db2.gz UKUALXFDQPUCMZ-HRDYMLBCSA-N 2 0 176.279 1.450 10 0 ADAERP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CC1 643491953 352965621 /nfs/dbraw/zinc/96/56/21/352965621.db2.gz GKNHGROJZPRTRX-FKTZTGRPSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H](F)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643491001 352965624 /nfs/dbraw/zinc/96/56/24/352965624.db2.gz KKUZGUZIXUMDFA-OPRDCNLKSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@H]([NH2+]CC[C@@H](C)F)[C@@H]1CCC[NH2+]1 643491002 352965630 /nfs/dbraw/zinc/96/56/30/352965630.db2.gz KKUZGUZIXUMDFA-UTLUCORTSA-N 2 0 188.290 1.465 10 0 ADAERP C[C@@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])C1CC1 643491956 352965632 /nfs/dbraw/zinc/96/56/32/352965632.db2.gz GKNHGROJZPRTRX-JEZHCXPESA-N 2 0 168.284 1.254 10 0 ADAERP C[C@H](F)CC[NH2+][C@@H](C)CCCC[NH3+] 643491032 352965634 /nfs/dbraw/zinc/96/56/34/352965634.db2.gz SORMZJAVJYIGRU-UWVGGRQHSA-N 2 0 190.306 1.842 10 0 ADAERP CC/C=C/C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 643492349 352966256 /nfs/dbraw/zinc/96/62/56/352966256.db2.gz BMQHXEHVNHDGSF-RUULKOMLSA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C\C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 643492350 352966293 /nfs/dbraw/zinc/96/62/93/352966293.db2.gz BMQHXEHVNHDGSF-XLMCQVRKSA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C\C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643492344 352966368 /nfs/dbraw/zinc/96/63/68/352966368.db2.gz AZKCXUXGMMIEQU-XLMCQVRKSA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C\C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643492342 352966429 /nfs/dbraw/zinc/96/64/29/352966429.db2.gz AZKCXUXGMMIEQU-JYYSYOFASA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C/C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643492341 352966480 /nfs/dbraw/zinc/96/64/80/352966480.db2.gz AZKCXUXGMMIEQU-GKUNOOHESA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C\C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 643492348 352966495 /nfs/dbraw/zinc/96/64/95/352966495.db2.gz BMQHXEHVNHDGSF-KBIXYVOKSA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C/C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643492343 352966569 /nfs/dbraw/zinc/96/65/69/352966569.db2.gz AZKCXUXGMMIEQU-RVAOTSRCSA-N 2 0 196.338 1.930 10 0 ADAERP CC/C=C/C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 643492347 352966579 /nfs/dbraw/zinc/96/65/79/352966579.db2.gz BMQHXEHVNHDGSF-GKUNOOHESA-N 2 0 196.338 1.930 10 0 ADAERP C1CC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC[NH2+]1 643493553 352967052 /nfs/dbraw/zinc/96/70/52/352967052.db2.gz CCZBBVYNLSTBHL-JQWIXIFHSA-N 2 0 194.322 1.374 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493594 352967084 /nfs/dbraw/zinc/96/70/84/352967084.db2.gz PSXGDEHVERWRQG-QCMRWSPLSA-N 2 0 196.338 1.748 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493581 352967108 /nfs/dbraw/zinc/96/71/08/352967108.db2.gz LGLFCLKTKIBQGL-BJDJZHNGSA-N 2 0 194.322 1.502 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493596 352967177 /nfs/dbraw/zinc/96/71/77/352967177.db2.gz PSXGDEHVERWRQG-QSFUFRPTSA-N 2 0 196.338 1.748 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493583 352967355 /nfs/dbraw/zinc/96/73/55/352967355.db2.gz LGLFCLKTKIBQGL-NNYUYHANSA-N 2 0 194.322 1.502 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C[C@@H]1C[C@H]1C1CC1 643493595 352967380 /nfs/dbraw/zinc/96/73/80/352967380.db2.gz PSXGDEHVERWRQG-QCZKYFFMSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493593 352967386 /nfs/dbraw/zinc/96/73/86/352967386.db2.gz PSXGDEHVERWRQG-LSKIRQOJSA-N 2 0 196.338 1.748 10 0 ADAERP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493582 352967600 /nfs/dbraw/zinc/96/76/00/352967600.db2.gz LGLFCLKTKIBQGL-FIQHERPVSA-N 2 0 194.322 1.502 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 643493584 352967603 /nfs/dbraw/zinc/96/76/03/352967603.db2.gz LGLFCLKTKIBQGL-YFKTTZPYSA-N 2 0 194.322 1.502 10 0 ADAERP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@H]1CC1(C)C 643495017 352967846 /nfs/dbraw/zinc/96/78/46/352967846.db2.gz RTIXDGRYJNBOEI-VGMNWLOBSA-N 2 0 170.300 1.500 10 0 ADAERP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1[NH3+] 643494473 352967859 /nfs/dbraw/zinc/96/78/59/352967859.db2.gz HEOQNAYJIZQXPK-NOOOWODRSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])O1 643494131 352967906 /nfs/dbraw/zinc/96/79/06/352967906.db2.gz HFQWYHDRPCDTRG-ZNSHCXBVSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC1(C)C 643495022 352967918 /nfs/dbraw/zinc/96/79/18/352967918.db2.gz RWWSKDYXFZPNCQ-AXFHLTTASA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1C[NH2+]C1 643493608 352967994 /nfs/dbraw/zinc/96/79/94/352967994.db2.gz SIGJIFBTYLDGHE-PEXQALLHSA-N 2 0 194.322 1.230 10 0 ADAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CC1(C)C 643495016 352968000 /nfs/dbraw/zinc/96/80/00/352968000.db2.gz RTIXDGRYJNBOEI-HLTSFMKQSA-N 2 0 170.300 1.500 10 0 ADAERP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643494475 352968015 /nfs/dbraw/zinc/96/80/15/352968015.db2.gz HEOQNAYJIZQXPK-WRWGMCAJSA-N 2 0 196.338 1.890 10 0 ADAERP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1[NH3+] 643494474 352968024 /nfs/dbraw/zinc/96/80/24/352968024.db2.gz HEOQNAYJIZQXPK-WISYIIOYSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1C[NH2+]C1 643493609 352968067 /nfs/dbraw/zinc/96/80/67/352968067.db2.gz SIGJIFBTYLDGHE-QRTLGDNMSA-N 2 0 194.322 1.230 10 0 ADAERP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[NH3+] 643494472 352968080 /nfs/dbraw/zinc/96/80/80/352968080.db2.gz HEOQNAYJIZQXPK-DDHJBXDOSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])O1 643494128 352968457 /nfs/dbraw/zinc/96/84/57/352968457.db2.gz HFQWYHDRPCDTRG-CHWFTXMASA-N 2 0 198.310 1.023 10 0 ADAERP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])O1 643494130 352968645 /nfs/dbraw/zinc/96/86/45/352968645.db2.gz HFQWYHDRPCDTRG-GWOFURMSSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])O1 643494129 352968700 /nfs/dbraw/zinc/96/87/00/352968700.db2.gz HFQWYHDRPCDTRG-DBIOUOCHSA-N 2 0 198.310 1.023 10 0 ADAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC1(C)C 643495023 352968711 /nfs/dbraw/zinc/96/87/11/352968711.db2.gz RWWSKDYXFZPNCQ-DCAQKATOSA-N 2 0 196.338 1.763 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CC[C@H]1C1CCC1 643496765 352970026 /nfs/dbraw/zinc/97/00/26/352970026.db2.gz CYQMSMPIYCQGRV-QWRGUYRKSA-N 2 0 182.311 1.504 10 0 ADAERP Cc1ccncc1[C@H](C)[NH2+]CCC[NH3+] 643496723 352970055 /nfs/dbraw/zinc/97/00/55/352970055.db2.gz QMSPVNCXDSXLRT-JTQLQIEISA-N 2 0 193.294 1.389 10 0 ADAERP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1C[C@H]1C 643496281 352970064 /nfs/dbraw/zinc/97/00/64/352970064.db2.gz MPHXBVSMMGBPSE-WCABBAIRSA-N 2 0 182.311 1.373 10 0 ADAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH2+]CC1 643496279 352970082 /nfs/dbraw/zinc/97/00/82/352970082.db2.gz MPHXBVSMMGBPSE-FXPVBKGRSA-N 2 0 182.311 1.373 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643496763 352970087 /nfs/dbraw/zinc/97/00/87/352970087.db2.gz CYQMSMPIYCQGRV-GHMZBOCLSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC[NH3+] 643496801 352970160 /nfs/dbraw/zinc/97/01/60/352970160.db2.gz OVRLGHIIYIKERH-UWVGGRQHSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC[NH3+] 643496812 352970187 /nfs/dbraw/zinc/97/01/87/352970187.db2.gz RWRSAYSODMLTEX-VWYCJHECSA-N 2 0 182.311 1.504 10 0 ADAERP CCC(C)(C)[C@@H](C)[NH2+]CCC[NH3+] 643496781 352970193 /nfs/dbraw/zinc/97/01/93/352970193.db2.gz HINDQOBLBUOQJO-SECBINFHSA-N 2 0 172.316 1.750 10 0 ADAERP CC[C@H]1CC[C@H]1[NH2+]CCC[NH3+] 643496778 352970227 /nfs/dbraw/zinc/97/02/27/352970227.db2.gz HBNFDBNHYKMPOK-DTWKUNHWSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC[NH3+] 643496811 352970259 /nfs/dbraw/zinc/97/02/59/352970259.db2.gz RWRSAYSODMLTEX-MXWKQRLJSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC[NH3+] 643496800 352970289 /nfs/dbraw/zinc/97/02/89/352970289.db2.gz OVRLGHIIYIKERH-NXEZZACHSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])C1C(C)(C)C1(C)C 643496705 352970310 /nfs/dbraw/zinc/97/03/10/352970310.db2.gz LTKKIPRVYCRBQU-VIFPVBQESA-N 2 0 198.354 1.996 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CCC12CCC2 643496807 352970340 /nfs/dbraw/zinc/97/03/40/352970340.db2.gz PQVGXBGCGDHSRD-VIFPVBQESA-N 2 0 168.284 1.258 10 0 ADAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC[NH3+] 643496802 352970347 /nfs/dbraw/zinc/97/03/47/352970347.db2.gz OVRLGHIIYIKERH-VHSXEESVSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+]CCC[NH3+] 643496777 352970393 /nfs/dbraw/zinc/97/03/93/352970393.db2.gz HBNFDBNHYKMPOK-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+]CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 643496764 352970429 /nfs/dbraw/zinc/97/04/29/352970429.db2.gz CYQMSMPIYCQGRV-MNOVXSKESA-N 2 0 182.311 1.504 10 0 ADAERP [NH3+]CCC[NH2+]C1CCC2(CC1)CC2 643496749 352970605 /nfs/dbraw/zinc/97/06/05/352970605.db2.gz ALCGHWDIUQXDRB-UHFFFAOYSA-N 2 0 182.311 1.648 10 0 ADAERP CC[C@@H]1CC[C@H]1[NH2+]CCC[NH3+] 643496780 352970484 /nfs/dbraw/zinc/97/04/84/352970484.db2.gz HBNFDBNHYKMPOK-RKDXNWHRSA-N 2 0 156.273 1.113 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 643496766 352970503 /nfs/dbraw/zinc/97/05/03/352970503.db2.gz CYQMSMPIYCQGRV-WDEREUQCSA-N 2 0 182.311 1.504 10 0 ADAERP CCC(C)(C)[C@H](C)[NH2+]CCC[NH3+] 643496782 352970535 /nfs/dbraw/zinc/97/05/35/352970535.db2.gz HINDQOBLBUOQJO-VIFPVBQESA-N 2 0 172.316 1.750 10 0 ADAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC[NH3+] 643496803 352970541 /nfs/dbraw/zinc/97/05/41/352970541.db2.gz OVRLGHIIYIKERH-ZJUUUORDSA-N 2 0 184.327 1.750 10 0 ADAERP CC[C@H]1CC[C@@H]1[NH2+]CCC[NH3+] 643496779 352970560 /nfs/dbraw/zinc/97/05/60/352970560.db2.gz HBNFDBNHYKMPOK-IUCAKERBSA-N 2 0 156.273 1.113 10 0 ADAERP C[C@@H]([NH2+]CCC[NH3+])C1C(C)(C)C1(C)C 643496704 352970570 /nfs/dbraw/zinc/97/05/70/352970570.db2.gz LTKKIPRVYCRBQU-SECBINFHSA-N 2 0 198.354 1.996 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCC12CCCC2 643496770 352970579 /nfs/dbraw/zinc/97/05/79/352970579.db2.gz GBDSXQDVGSTBOO-SNVBAGLBSA-N 2 0 182.311 1.648 10 0 ADAERP [NH3+]CCC[NH2+][C@@H]1CCC12CCC2 643496806 352970620 /nfs/dbraw/zinc/97/06/20/352970620.db2.gz PQVGXBGCGDHSRD-SECBINFHSA-N 2 0 168.284 1.258 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH2+]CC1 643496280 352970632 /nfs/dbraw/zinc/97/06/32/352970632.db2.gz MPHXBVSMMGBPSE-KKZNHRDASA-N 2 0 182.311 1.373 10 0 ADAERP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1C[C@H]1C 643497172 352971049 /nfs/dbraw/zinc/97/10/49/352971049.db2.gz JXKSDNNWPOHRSX-SCVCMEIPSA-N 2 0 196.338 1.620 10 0 ADAERP [NH3+]CCC[NH2+][C@H](C1CCCC1)C1CC1 643496833 352971103 /nfs/dbraw/zinc/97/11/03/352971103.db2.gz ZODLYOKTQDQOQG-GFCCVEGCSA-N 2 0 196.338 1.894 10 0 ADAERP [NH3+]CCC[NH2+][C@@H](C1CCCC1)C1CC1 643496834 352971110 /nfs/dbraw/zinc/97/11/10/352971110.db2.gz ZODLYOKTQDQOQG-LBPRGKRZSA-N 2 0 196.338 1.894 10 0 ADAERP Cc1cncc([C@@H](C)[NH2+]CCC[NH3+])c1 643496832 352971207 /nfs/dbraw/zinc/97/12/07/352971207.db2.gz ZLLLPWNANCJRCT-SNVBAGLBSA-N 2 0 193.294 1.389 10 0 ADAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 643497169 352971331 /nfs/dbraw/zinc/97/13/31/352971331.db2.gz JXKSDNNWPOHRSX-CKYFFXLPSA-N 2 0 196.338 1.620 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 643497170 352971413 /nfs/dbraw/zinc/97/14/13/352971413.db2.gz JXKSDNNWPOHRSX-FOGDFJRCSA-N 2 0 196.338 1.620 10 0 ADAERP Cc1cncc([C@H](C)[NH2+]CCC[NH3+])c1 643496831 352971446 /nfs/dbraw/zinc/97/14/46/352971446.db2.gz ZLLLPWNANCJRCT-JTQLQIEISA-N 2 0 193.294 1.389 10 0 ADAERP C[NH2+]CCC[NH2+][C@H](C)[C@H]1CC1(C)C 643498501 352971898 /nfs/dbraw/zinc/97/18/98/352971898.db2.gz MDBZLEKQGPSVSW-NXEZZACHSA-N 2 0 184.327 1.620 10 0 ADAERP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C 643498481 352971906 /nfs/dbraw/zinc/97/19/06/352971906.db2.gz IRGKJQLVSRDMIB-QJPTWQEYSA-N 2 0 196.338 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/nfs/dbraw/zinc/99/19/65/352991965.db2.gz APWQNKYGJGMMKO-IJLUTSLNSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC1 643521285 352991979 /nfs/dbraw/zinc/99/19/79/352991979.db2.gz JFNDRGISDUTPDW-NEPJUHHUSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1C 643520395 352991986 /nfs/dbraw/zinc/99/19/86/352991986.db2.gz ANBYPIMZGUPWCS-SCVCMEIPSA-N 2 0 194.322 1.540 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C 643524557 352991989 /nfs/dbraw/zinc/99/19/89/352991989.db2.gz XRPTYJPPCWJUTJ-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C)[C@H]1C[C@H]1C 643524537 352991993 /nfs/dbraw/zinc/99/19/93/352991993.db2.gz VSYCXDDWGHVIED-JCIQBVFBSA-N 2 0 196.338 1.619 10 0 ADAERP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1C[C@H]1C 643520504 352992002 /nfs/dbraw/zinc/99/20/02/352992002.db2.gz SUKUUGHIPGNMGD-JFGNBEQYSA-N 2 0 194.322 1.540 10 0 ADAERP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1C[C@H]1C 643522950 352992012 /nfs/dbraw/zinc/99/20/12/352992012.db2.gz NYIUDEKRNGARQM-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 643520503 352992030 /nfs/dbraw/zinc/99/20/30/352992030.db2.gz SUKUUGHIPGNMGD-FOGDFJRCSA-N 2 0 194.322 1.540 10 0 ADAERP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CC1 643521286 352992051 /nfs/dbraw/zinc/99/20/51/352992051.db2.gz JFNDRGISDUTPDW-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[C@H]1C[C@H]1C 643524362 352992092 /nfs/dbraw/zinc/99/20/92/352992092.db2.gz MJQBZEYGPFXVCL-DGORSVRFSA-N 2 0 196.338 1.890 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C 643524560 352992097 /nfs/dbraw/zinc/99/20/97/352992097.db2.gz XRPTYJPPCWJUTJ-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C 643524540 352992105 /nfs/dbraw/zinc/99/21/05/352992105.db2.gz VSYCXDDWGHVIED-OOCWMUITSA-N 2 0 196.338 1.619 10 0 ADAERP C[C@H]1[C@H](C)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 643525951 352992386 /nfs/dbraw/zinc/99/23/86/352992386.db2.gz JSYZJRAADVIYAB-RMPHRYRLSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)CC[NH2+]1 643526087 352992393 /nfs/dbraw/zinc/99/23/93/352992393.db2.gz OWHYFFSHALECHF-OOCWMUITSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1C 643525953 352992585 /nfs/dbraw/zinc/99/25/85/352992585.db2.gz JSYZJRAADVIYAB-VSSNEEPJSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 643526085 352993030 /nfs/dbraw/zinc/99/30/30/352993030.db2.gz OWHYFFSHALECHF-KQSJRHEJSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 643526088 352993082 /nfs/dbraw/zinc/99/30/82/352993082.db2.gz OWHYFFSHALECHF-VSSNEEPJSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC[NH2+]1 643525950 352993191 /nfs/dbraw/zinc/99/31/91/352993191.db2.gz JSYZJRAADVIYAB-LZQZFOIKSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC[NH2+]1 643526086 352993269 /nfs/dbraw/zinc/99/32/69/352993269.db2.gz OWHYFFSHALECHF-LZQZFOIKSA-N 2 0 196.338 1.761 10 0 ADAERP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@H]1C 643525952 352993297 /nfs/dbraw/zinc/99/32/97/352993297.db2.gz JSYZJRAADVIYAB-RNWYCLNJSA-N 2 0 196.338 1.761 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH3+] 643526582 352993552 /nfs/dbraw/zinc/99/35/52/352993552.db2.gz BKYCETOPFHKIAE-HLTSFMKQSA-N 2 0 156.273 1.112 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH3+] 643526584 352993582 /nfs/dbraw/zinc/99/35/82/352993582.db2.gz BKYCETOPFHKIAE-YIZRAAEISA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1CC1(C)C 643527002 352993618 /nfs/dbraw/zinc/99/36/18/352993618.db2.gz JGVJOZAZZXVJEA-YIZRAAEISA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH3+] 643526583 352993749 /nfs/dbraw/zinc/99/37/49/352993749.db2.gz BKYCETOPFHKIAE-IWSPIJDZSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@H]1CC1(C)C 643527001 352993928 /nfs/dbraw/zinc/99/39/28/352993928.db2.gz JGVJOZAZZXVJEA-XHNCKOQMSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1CC1(C)C 643526999 352993946 /nfs/dbraw/zinc/99/39/46/352993946.db2.gz JGVJOZAZZXVJEA-CIUDSAMLSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH3+] 643526581 352994036 /nfs/dbraw/zinc/99/40/36/352994036.db2.gz BKYCETOPFHKIAE-DJLDLDEBSA-N 2 0 156.273 1.112 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CC1(C)C 643527000 352994133 /nfs/dbraw/zinc/99/41/33/352994133.db2.gz JGVJOZAZZXVJEA-DJLDLDEBSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643527740 352994481 /nfs/dbraw/zinc/99/44/81/352994481.db2.gz RRRWVEOXOUWXHB-IVZWLZJFSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643527741 352994532 /nfs/dbraw/zinc/99/45/32/352994532.db2.gz RRRWVEOXOUWXHB-LPEHRKFASA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 643528114 352994541 /nfs/dbraw/zinc/99/45/41/352994541.db2.gz ZQBKFUCZTIGVME-ZDCRXTMVSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)C1CC([NH2+]C[C@H](C)[NH3+])C1 643527465 352994557 /nfs/dbraw/zinc/99/45/57/352994557.db2.gz NHNIAPWBCGJVIQ-IDKOKCKLSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643527739 352994580 /nfs/dbraw/zinc/99/45/80/352994580.db2.gz RRRWVEOXOUWXHB-GUBZILKMSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2C[C@]21C 643528113 352994611 /nfs/dbraw/zinc/99/46/11/352994611.db2.gz ZQBKFUCZTIGVME-UKKRHICBSA-N 2 0 182.311 1.502 10 0 ADAERP CC(C)C1CC([NH2+]C[C@@H](C)[NH3+])C1 643527466 352994629 /nfs/dbraw/zinc/99/46/29/352994629.db2.gz NHNIAPWBCGJVIQ-XNWIYYODSA-N 2 0 170.300 1.358 10 0 ADAERP C[C@H]([NH3+])C[NH2+][C@H]1CC[C@H]1C(C)(C)C 643527738 352994866 /nfs/dbraw/zinc/99/48/66/352994866.db2.gz RRRWVEOXOUWXHB-AEJSXWLSSA-N 2 0 184.327 1.748 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643529747 352996362 /nfs/dbraw/zinc/99/63/62/352996362.db2.gz AULIIGMMLAXNSO-LNFKQOIKSA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H]1C[C@H]1C 643529745 352996418 /nfs/dbraw/zinc/99/64/18/352996418.db2.gz AULIIGMMLAXNSO-DBIOUOCHSA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C 643529748 352996587 /nfs/dbraw/zinc/99/65/87/352996587.db2.gz AULIIGMMLAXNSO-ZDCRXTMVSA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C 643529746 352996706 /nfs/dbraw/zinc/99/67/06/352996706.db2.gz AULIIGMMLAXNSO-GWOFURMSSA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)[C@H]1C 643529974 352997426 /nfs/dbraw/zinc/99/74/26/352997426.db2.gz SPHPKXGMABPFDR-LNFKQOIKSA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C 643529973 352997434 /nfs/dbraw/zinc/99/74/34/352997434.db2.gz SPHPKXGMABPFDR-GWOFURMSSA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 643529972 352997495 /nfs/dbraw/zinc/99/74/95/352997495.db2.gz SPHPKXGMABPFDR-CHWFTXMASA-N 2 0 184.327 1.619 10 0 ADAERP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C 643529975 352997678 /nfs/dbraw/zinc/99/76/78/352997678.db2.gz SPHPKXGMABPFDR-ZRUFSTJUSA-N 2 0 184.327 1.619 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 643533882 353000139 /nfs/dbraw/zinc/00/01/39/353000139.db2.gz HHOYAKXOBVQZLV-GXSJLCMTSA-N 2 0 194.322 1.517 10 0 ADAERP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 643533883 353000362 /nfs/dbraw/zinc/00/03/62/353000362.db2.gz HHOYAKXOBVQZLV-KOLCDFICSA-N 2 0 194.322 1.517 10 0 ADAERP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 643533884 353000429 /nfs/dbraw/zinc/00/04/29/353000429.db2.gz HHOYAKXOBVQZLV-MWLCHTKSSA-N 2 0 194.322 1.517 10 0 ADAERP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1C 643539381 353000682 /nfs/dbraw/zinc/00/06/82/353000682.db2.gz VIJSHAXHCJIDSI-GWOFURMSSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1C[C@H]1C 643539380 353000690 /nfs/dbraw/zinc/00/06/90/353000690.db2.gz VIJSHAXHCJIDSI-DBIOUOCHSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 643539382 353000721 /nfs/dbraw/zinc/00/07/21/353000721.db2.gz VIJSHAXHCJIDSI-LNFKQOIKSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 643539383 353000774 /nfs/dbraw/zinc/00/07/74/353000774.db2.gz VIJSHAXHCJIDSI-ZDCRXTMVSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC1(C)C 643539139 353000779 /nfs/dbraw/zinc/00/07/79/353000779.db2.gz ZAZDKKINQIHDEV-UVOCVTCTSA-N 2 0 194.322 1.228 10 0 ADAERP C[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC1(C)C 643539138 353000801 /nfs/dbraw/zinc/00/08/01/353000801.db2.gz ZAZDKKINQIHDEV-NZFPMDFQSA-N 2 0 194.322 1.228 10 0 ADAERP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 643533885 353000845 /nfs/dbraw/zinc/00/08/45/353000845.db2.gz HHOYAKXOBVQZLV-ONGXEEELSA-N 2 0 194.322 1.517 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 643540110 353001349 /nfs/dbraw/zinc/00/13/49/353001349.db2.gz LREAMOUIOZFWED-QSFUFRPTSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 643540144 353001367 /nfs/dbraw/zinc/00/13/67/353001367.db2.gz RICVSZKCYTXMKH-HGCLJGPKSA-N 2 0 196.338 1.890 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H](C)[NH3+] 643540133 353001504 /nfs/dbraw/zinc/00/15/04/353001504.db2.gz MUVACZBLLORFOB-RGOKHQFPSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C 643540088 353001513 /nfs/dbraw/zinc/00/15/13/353001513.db2.gz HJTSIFFRFLVSEC-SOYHJAILSA-N 2 0 170.300 1.356 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 643540177 353001525 /nfs/dbraw/zinc/00/15/25/353001525.db2.gz XZHXVKIQYNJZCZ-KXUCPTDWSA-N 2 0 196.294 1.536 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C 643540086 353001532 /nfs/dbraw/zinc/00/15/32/353001532.db2.gz HJTSIFFRFLVSEC-KBDSZGMXSA-N 2 0 170.300 1.356 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 643540111 353001563 /nfs/dbraw/zinc/00/15/63/353001563.db2.gz LREAMOUIOZFWED-XPXLGCRWSA-N 2 0 196.338 1.890 10 0 ADAERP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@H]1C[C@H]1C 643540175 353001569 /nfs/dbraw/zinc/00/15/69/353001569.db2.gz WCWWOFVWHYKUDR-XXFSISAASA-N 2 0 184.327 1.746 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 643540109 353001572 /nfs/dbraw/zinc/00/15/72/353001572.db2.gz LREAMOUIOZFWED-GAIPPQHRSA-N 2 0 196.338 1.890 10 0 ADAERP CC(C)C1CC([NH2+][C@H](C)[C@H](C)[NH3+])C1 643540070 353001575 /nfs/dbraw/zinc/00/15/75/353001575.db2.gz FHAKDVUNPBIIEZ-IZUQBHJASA-N 2 0 184.327 1.746 10 0 ADAERP CC(C)C1CC([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 643540071 353001582 /nfs/dbraw/zinc/00/15/82/353001582.db2.gz FHAKDVUNPBIIEZ-MFQSTILNSA-N 2 0 184.327 1.746 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C 643540145 353001585 /nfs/dbraw/zinc/00/15/85/353001585.db2.gz RICVSZKCYTXMKH-KKJSVHSVSA-N 2 0 196.338 1.890 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H](C)[NH3+] 643540130 353001601 /nfs/dbraw/zinc/00/16/01/353001601.db2.gz MUVACZBLLORFOB-JLIMGVALSA-N 2 0 170.300 1.500 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](C)[NH3+] 643540131 353001615 /nfs/dbraw/zinc/00/16/15/353001615.db2.gz MUVACZBLLORFOB-KYXWUPHJSA-N 2 0 170.300 1.500 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 643540108 353001626 /nfs/dbraw/zinc/00/16/26/353001626.db2.gz LREAMOUIOZFWED-FSZOTQKASA-N 2 0 196.338 1.890 10 0 ADAERP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@H]1C[C@@H]1C 643540173 353001640 /nfs/dbraw/zinc/00/16/40/353001640.db2.gz WCWWOFVWHYKUDR-HHKYUTTNSA-N 2 0 184.327 1.746 10 0 ADAERP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])[C@@H]1C[C@@H]1C 643540172 353001651 /nfs/dbraw/zinc/00/16/51/353001651.db2.gz WCWWOFVWHYKUDR-DAWVFNFOSA-N 2 0 184.327 1.746 10 0 ADAERP C[C@H]([NH2+][C@H](C)Cc1ccoc1)[C@@H](C)[NH3+] 643540176 353001672 /nfs/dbraw/zinc/00/16/72/353001672.db2.gz XZHXVKIQYNJZCZ-BBBLOLIVSA-N 2 0 196.294 1.536 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1C 643540089 353001681 /nfs/dbraw/zinc/00/16/81/353001681.db2.gz HJTSIFFRFLVSEC-WLRJLXCNSA-N 2 0 170.300 1.356 10 0 ADAERP CC(C)C1CC([NH2+][C@H](C)[C@@H](C)[NH3+])C1 643540072 353001691 /nfs/dbraw/zinc/00/16/91/353001691.db2.gz FHAKDVUNPBIIEZ-NKVNRFPTSA-N 2 0 184.327 1.746 10 0 ADAERP CC(C)C1CC([NH2+][C@@H](C)[C@H](C)[NH3+])C1 643540073 353001752 /nfs/dbraw/zinc/00/17/52/353001752.db2.gz FHAKDVUNPBIIEZ-SAAXCQNUSA-N 2 0 184.327 1.746 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643540087 353001778 /nfs/dbraw/zinc/00/17/78/353001778.db2.gz HJTSIFFRFLVSEC-RXKWGBCNSA-N 2 0 170.300 1.356 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+]C1CC(C(C)C)C1 643540422 353002162 /nfs/dbraw/zinc/00/21/62/353002162.db2.gz FHAYBTGRDJDYQK-HSOILSAZSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 643540475 353002168 /nfs/dbraw/zinc/00/21/68/353002168.db2.gz KZAZCLSOALRTFU-KXNHARMFSA-N 2 0 196.338 1.892 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC12CCC2 643540193 353002188 /nfs/dbraw/zinc/00/21/88/353002188.db2.gz YZJRZWWTPPCCJT-LPEHRKFASA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H](C)C(C)(C)C 643540225 353002207 /nfs/dbraw/zinc/00/22/07/353002207.db2.gz FIYBXOSFKZXARN-IUCAKERBSA-N 2 0 172.316 1.748 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCC12CCC2 643540190 353002261 /nfs/dbraw/zinc/00/22/61/353002261.db2.gz YZJRZWWTPPCCJT-AEJSXWLSSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2C[C@]21C 643540476 353002284 /nfs/dbraw/zinc/00/22/84/353002284.db2.gz KZAZCLSOALRTFU-NNYUYHANSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@H](C)C(C)(C)C 643540226 353002288 /nfs/dbraw/zinc/00/22/88/353002288.db2.gz FIYBXOSFKZXARN-RKDXNWHRSA-N 2 0 172.316 1.748 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC12CCC2 643540191 353002301 /nfs/dbraw/zinc/00/23/01/353002301.db2.gz YZJRZWWTPPCCJT-GUBZILKMSA-N 2 0 182.311 1.644 10 0 ADAERP CC[C@H]([NH3+])C[NH2+]C1CC(C(C)C)C1 643540423 353002308 /nfs/dbraw/zinc/00/23/08/353002308.db2.gz FHAYBTGRDJDYQK-YVNMAJEFSA-N 2 0 184.327 1.748 10 0 ADAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCC12CCC2 643540192 353002334 /nfs/dbraw/zinc/00/23/34/353002334.db2.gz YZJRZWWTPPCCJT-IVZWLZJFSA-N 2 0 182.311 1.644 10 0 ADAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1ccoc1 643540179 353002400 /nfs/dbraw/zinc/00/24/00/353002400.db2.gz XZHXVKIQYNJZCZ-UTLUCORTSA-N 2 0 196.294 1.536 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)C(C)(C)C 643540223 353002437 /nfs/dbraw/zinc/00/24/37/353002437.db2.gz FIYBXOSFKZXARN-BDAKNGLRSA-N 2 0 172.316 1.748 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@@H](C)C(C)(C)C 643540224 353002652 /nfs/dbraw/zinc/00/26/52/353002652.db2.gz FIYBXOSFKZXARN-DTWKUNHWSA-N 2 0 172.316 1.748 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccoc1 643540770 353003083 /nfs/dbraw/zinc/00/30/83/353003083.db2.gz NCEZFWOWTRPRCZ-MWLCHTKSSA-N 2 0 196.294 1.538 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccoc1 643540768 353003097 /nfs/dbraw/zinc/00/30/97/353003097.db2.gz NCEZFWOWTRPRCZ-GXSJLCMTSA-N 2 0 196.294 1.538 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1C[C@@H]1C 643540853 353003150 /nfs/dbraw/zinc/00/31/50/353003150.db2.gz ZYTJMTXVMYJUBB-JXUBOQSCSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CC1(C)C 643540582 353003159 /nfs/dbraw/zinc/00/31/59/353003159.db2.gz VBASHMSKQGUGOY-KXUCPTDWSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@H]1CC1(C)C 643540583 353003164 /nfs/dbraw/zinc/00/31/64/353003164.db2.gz VBASHMSKQGUGOY-LPEHRKFASA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643540854 353003201 /nfs/dbraw/zinc/00/32/01/353003201.db2.gz ZYTJMTXVMYJUBB-QCLAVDOMSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1CC1(C)C 643540584 353003223 /nfs/dbraw/zinc/00/32/23/353003223.db2.gz VBASHMSKQGUGOY-UTLUCORTSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1CC1(C)C 643540581 353003234 /nfs/dbraw/zinc/00/32/34/353003234.db2.gz VBASHMSKQGUGOY-GUBZILKMSA-N 2 0 184.327 1.748 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccoc1 643540769 353003253 /nfs/dbraw/zinc/00/32/53/353003253.db2.gz NCEZFWOWTRPRCZ-KOLCDFICSA-N 2 0 196.294 1.538 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccoc1 643540771 353003395 /nfs/dbraw/zinc/00/33/95/353003395.db2.gz NCEZFWOWTRPRCZ-ONGXEEELSA-N 2 0 196.294 1.538 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1C[C@H]1C 643540852 353003484 /nfs/dbraw/zinc/00/34/84/353003484.db2.gz ZYTJMTXVMYJUBB-IMSYWVGJSA-N 2 0 170.300 1.358 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[NH2+]C1 643545369 353003854 /nfs/dbraw/zinc/00/38/54/353003854.db2.gz GMSFXXCOCMBTPD-UTUOFQBUSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1C[C@H]1C 643542870 353003875 /nfs/dbraw/zinc/00/38/75/353003875.db2.gz RUHURHQCQHAFMU-IIRVCBMXSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1C[C@H]1C 643545430 353003876 /nfs/dbraw/zinc/00/38/76/353003876.db2.gz SALVGAVKNFYUQY-RHYQMDGZSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 643545431 353003879 /nfs/dbraw/zinc/00/38/79/353003879.db2.gz SALVGAVKNFYUQY-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H]1C 643542815 353003886 /nfs/dbraw/zinc/00/38/86/353003886.db2.gz FPDKFPWNDFOGAM-ZIQFBCGOSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C[C@H]1C 643545464 353003887 /nfs/dbraw/zinc/00/38/87/353003887.db2.gz ZFDAIYJMDXIAJH-RHYQMDGZSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1C[C@H]1C 643545133 353003890 /nfs/dbraw/zinc/00/38/90/353003890.db2.gz BODKIAZZOBUTMS-SCVCMEIPSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1C[C@H]1C 643545132 353003892 /nfs/dbraw/zinc/00/38/92/353003892.db2.gz BODKIAZZOBUTMS-JFGNBEQYSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 643545370 353003896 /nfs/dbraw/zinc/00/38/96/353003896.db2.gz GMSFXXCOCMBTPD-WOPDTQHZSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H]1C 643542813 353003899 /nfs/dbraw/zinc/00/38/99/353003899.db2.gz FPDKFPWNDFOGAM-OOCWMUITSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1C[C@H]1C 643545429 353003900 /nfs/dbraw/zinc/00/39/00/353003900.db2.gz SALVGAVKNFYUQY-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC1 643545314 353003905 /nfs/dbraw/zinc/00/39/05/353003905.db2.gz YGAGQPKXNXJJQM-VXGBXAGGSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@H]1C[C@H]1C 643542871 353003920 /nfs/dbraw/zinc/00/39/20/353003920.db2.gz RUHURHQCQHAFMU-LVEVGFFFSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 643545130 353003923 /nfs/dbraw/zinc/00/39/23/353003923.db2.gz BODKIAZZOBUTMS-CKYFFXLPSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC[NH2+]C1 643545367 353003927 /nfs/dbraw/zinc/00/39/27/353003927.db2.gz GMSFXXCOCMBTPD-GRYCIOLGSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C[C@H]1C 643545463 353003938 /nfs/dbraw/zinc/00/39/38/353003938.db2.gz ZFDAIYJMDXIAJH-KXNHARMFSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC1 643545311 353003956 /nfs/dbraw/zinc/00/39/56/353003956.db2.gz YGAGQPKXNXJJQM-NEPJUHHUSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC[NH2+]C1 643545368 353003975 /nfs/dbraw/zinc/00/39/75/353003975.db2.gz GMSFXXCOCMBTPD-IJLUTSLNSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC1 643545312 353003978 /nfs/dbraw/zinc/00/39/78/353003978.db2.gz YGAGQPKXNXJJQM-NWDGAFQWSA-N 2 0 196.338 1.907 10 0 ADAERP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC1 643545313 353003990 /nfs/dbraw/zinc/00/39/90/353003990.db2.gz YGAGQPKXNXJJQM-RYUDHWBXSA-N 2 0 196.338 1.907 10 0 ADAERP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1C[C@H]1C 643542872 353003996 /nfs/dbraw/zinc/00/39/96/353003996.db2.gz RUHURHQCQHAFMU-ROHXPCBUSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1C 643542814 353004013 /nfs/dbraw/zinc/00/40/13/353004013.db2.gz FPDKFPWNDFOGAM-ROHXPCBUSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)[C@@H]1C 643545465 353004019 /nfs/dbraw/zinc/00/40/19/353004019.db2.gz ZFDAIYJMDXIAJH-WYUUTHIRSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 643545131 353004046 /nfs/dbraw/zinc/00/40/46/353004046.db2.gz BODKIAZZOBUTMS-FOGDFJRCSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@H]1C[C@H]1C 643542869 353004119 /nfs/dbraw/zinc/00/41/19/353004119.db2.gz RUHURHQCQHAFMU-DGORSVRFSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1C 643542812 353004122 /nfs/dbraw/zinc/00/41/22/353004122.db2.gz FPDKFPWNDFOGAM-IIRVCBMXSA-N 2 0 196.338 1.748 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)[C@@H]1C 643545462 353004153 /nfs/dbraw/zinc/00/41/53/353004153.db2.gz ZFDAIYJMDXIAJH-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 643545428 353004183 /nfs/dbraw/zinc/00/41/83/353004183.db2.gz SALVGAVKNFYUQY-KKOKHZNYSA-N 2 0 196.338 1.763 10 0 ADAERP c1ccc(C[C@H]2C[NH2+]CCC[NH2+]2)cc1 59327513 371636895 /nfs/dbraw/zinc/63/68/95/371636895.db2.gz SVMWMAWMDBDDIM-LBPRGKRZSA-N 2 0 190.290 1.181 10 0 ADAERP c1ccc(C[C@@H]2C[NH2+]CCC[NH2+]2)cc1 59327512 371637092 /nfs/dbraw/zinc/63/70/92/371637092.db2.gz SVMWMAWMDBDDIM-GFCCVEGCSA-N 2 0 190.290 1.181 10 0 ADAERP CC[C@@H](C)[NH+]1CCC(C(N)=[NH2+])CC1 70664123 371643253 /nfs/dbraw/zinc/64/32/53/371643253.db2.gz ZRFSGVJAYROJIS-MRVPVSSYSA-N 2 0 183.299 1.433 10 0 ADAERP NC(=[NH2+])C1CC[NH+](CC2CC2)CC1 70664160 371643420 /nfs/dbraw/zinc/64/34/20/371643420.db2.gz NAYMFGYMLBHGDW-UHFFFAOYSA-N 2 0 181.283 1.044 10 0 ADAERP CC(C)[NH+]1CCC(C(N)=[NH2+])CC1 70664138 371643574 /nfs/dbraw/zinc/64/35/74/371643574.db2.gz FHJKZHQQRBXQFL-UHFFFAOYSA-N 2 0 169.272 1.043 10 0 ADAERP CC[C@H](C)[NH+]1CCC(C(N)=[NH2+])CC1 70664124 371643655 /nfs/dbraw/zinc/64/36/55/371643655.db2.gz ZRFSGVJAYROJIS-QMMMGPOBSA-N 2 0 183.299 1.433 10 0 ADAERP C[N@H+](CC1C[NH2+]C1)C1CCCCC1 164962857 371675375 /nfs/dbraw/zinc/67/53/75/371675375.db2.gz BIEWXYWDNQPNHI-UHFFFAOYSA-N 2 0 182.311 1.470 10 0 ADAERP CCC1CC[NH+](CC2C[NH2+]C2)CC1 165076025 371676874 /nfs/dbraw/zinc/67/68/74/371676874.db2.gz XZDFYSNCBKKHCP-UHFFFAOYSA-N 2 0 182.311 1.328 10 0 ADAERP CCCC[NH+]1CCC([NH+](C)C)CC1 166070272 371681593 /nfs/dbraw/zinc/68/15/93/371681593.db2.gz VKIAUQCTSKVDSG-UHFFFAOYSA-N 2 0 184.327 1.813 10 0 ADAERP C1CC([NH+](C2CC2)C2CC2)CC[NH2+]1 199348006 371699376 /nfs/dbraw/zinc/69/93/76/371699376.db2.gz ODOGSNZAQUVNHQ-UHFFFAOYSA-N 2 0 180.295 1.365 10 0 ADAERP CC(C)[C@@H]1C[C@H]([NH3+])[C@H](C)[C@@H](C[NH3+])C1 200592288 371701826 /nfs/dbraw/zinc/70/18/26/371701826.db2.gz UHFQXXRSOFHDIY-YTWAJWBKSA-N 2 0 184.327 1.591 10 0 ADAERP CC(C)[C@@H]1C[C@H]([NH3+])[C@@H](C)[C@H](C[NH3+])C1 200592258 371701853 /nfs/dbraw/zinc/70/18/53/371701853.db2.gz UHFQXXRSOFHDIY-NAKRPEOUSA-N 2 0 184.327 1.591 10 0 ADAERP CC(C)[C@@H]1C[C@H]([NH3+])[C@H](C)[C@H](C[NH3+])C1 200592221 371701895 /nfs/dbraw/zinc/70/18/95/371701895.db2.gz UHFQXXRSOFHDIY-RCWTZXSCSA-N 2 0 184.327 1.591 10 0 ADAERP CCC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238220383 371725636 /nfs/dbraw/zinc/72/56/36/371725636.db2.gz KQOCDDJJHIAYSU-OWUUHHOZSA-N 2 0 168.284 1.351 10 0 ADAERP CCC[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238220410 371725683 /nfs/dbraw/zinc/72/56/83/371725683.db2.gz KQOCDDJJHIAYSU-ILWJIGKKSA-N 2 0 168.284 1.351 10 0 ADAERP C1CC([NH2+][C@@H]2CC[N@@H+]3CC[C@H]2C3)C1 252972649 371736744 /nfs/dbraw/zinc/73/67/44/371736744.db2.gz RTLYUGCSPFDBIF-GXSJLCMTSA-N 2 0 180.295 1.223 10 0 ADAERP C[C@@H](C[NH3+])C[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306755810 371764726 /nfs/dbraw/zinc/76/47/26/371764726.db2.gz QVEOKEPWTNZFEB-SDDRHHMPSA-N 2 0 194.322 1.479 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306755811 371764782 /nfs/dbraw/zinc/76/47/82/371764782.db2.gz QVEOKEPWTNZFEB-UTUOFQBUSA-N 2 0 194.322 1.479 10 0 ADAERP [NH3+][C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 307140908 371774198 /nfs/dbraw/zinc/77/41/98/371774198.db2.gz BGGVCVDSXFYWMJ-NZHYYXIDSA-N 2 0 180.295 1.254 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 307140910 371774206 /nfs/dbraw/zinc/77/42/06/371774206.db2.gz BGGVCVDSXFYWMJ-RCZSTQMZSA-N 2 0 180.295 1.254 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)[C@H]1CC[NH2+]C[C@H]1C 307189570 371775131 /nfs/dbraw/zinc/77/51/31/371775131.db2.gz UTELXXRYMCLCQV-SCVCMEIPSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)[C@H](C)C1CC1 307189567 371775166 /nfs/dbraw/zinc/77/51/66/371775166.db2.gz UTELXXRYMCLCQV-CKYFFXLPSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H](C1CC1)[N@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 307189569 371775390 /nfs/dbraw/zinc/77/53/90/371775390.db2.gz UTELXXRYMCLCQV-JFGNBEQYSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)[C@H](C)C1CC1 307189568 371775410 /nfs/dbraw/zinc/77/54/10/371775410.db2.gz UTELXXRYMCLCQV-FOGDFJRCSA-N 2 0 196.338 1.715 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 319128992 371785367 /nfs/dbraw/zinc/78/53/67/371785367.db2.gz IQFDEYLAXYOMAQ-HBNTYKKESA-N 2 0 184.327 1.619 10 0 ADAERP CC(C)[C@@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] 318995745 371785392 /nfs/dbraw/zinc/78/53/92/371785392.db2.gz LOQSIFCWBRGQPK-IVZWLZJFSA-N 2 0 172.316 1.746 10 0 ADAERP CC1(C)C[NH+](C[C@@H]2CCC[C@@H]2[NH3+])C1 307522046 371782053 /nfs/dbraw/zinc/78/20/53/371782053.db2.gz BNXXHXGVRIQFNI-UWVGGRQHSA-N 2 0 182.311 1.456 10 0 ADAERP CC1(C)C[NH+](C[C@@H]2CCC[C@H]2[NH3+])C1 307522048 371782107 /nfs/dbraw/zinc/78/21/07/371782107.db2.gz BNXXHXGVRIQFNI-VHSXEESVSA-N 2 0 182.311 1.456 10 0 ADAERP CC1(C)C[NH+](C[C@H]2CCC[C@@H]2[NH3+])C1 307522049 371782380 /nfs/dbraw/zinc/78/23/80/371782380.db2.gz BNXXHXGVRIQFNI-ZJUUUORDSA-N 2 0 182.311 1.456 10 0 ADAERP CC1(C)C[NH+](C[C@H]2CCC[C@H]2[NH3+])C1 307522045 371782401 /nfs/dbraw/zinc/78/24/01/371782401.db2.gz BNXXHXGVRIQFNI-NXEZZACHSA-N 2 0 182.311 1.456 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 319128989 371784953 /nfs/dbraw/zinc/78/49/53/371784953.db2.gz IQFDEYLAXYOMAQ-GARJFASQSA-N 2 0 184.327 1.619 10 0 ADAERP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 319001389 371784981 /nfs/dbraw/zinc/78/49/81/371784981.db2.gz MZPMVEQVFCJEHP-VHSXEESVSA-N 2 0 170.300 1.230 10 0 ADAERP CC(C)[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 319001381 371785101 /nfs/dbraw/zinc/78/51/01/371785101.db2.gz MZPMVEQVFCJEHP-UWVGGRQHSA-N 2 0 170.300 1.230 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 319128988 371785117 /nfs/dbraw/zinc/78/51/17/371785117.db2.gz IQFDEYLAXYOMAQ-DCAQKATOSA-N 2 0 184.327 1.619 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 319128986 371785122 /nfs/dbraw/zinc/78/51/22/371785122.db2.gz IQFDEYLAXYOMAQ-AXFHLTTASA-N 2 0 184.327 1.619 10 0 ADAERP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 319001396 371785454 /nfs/dbraw/zinc/78/54/54/371785454.db2.gz MZPMVEQVFCJEHP-ZJUUUORDSA-N 2 0 170.300 1.230 10 0 ADAERP CC(C)[C@@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] 318995746 371785480 /nfs/dbraw/zinc/78/54/80/371785480.db2.gz LOQSIFCWBRGQPK-LPEHRKFASA-N 2 0 172.316 1.746 10 0 ADAERP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 319001372 371785544 /nfs/dbraw/zinc/78/55/44/371785544.db2.gz MZPMVEQVFCJEHP-NXEZZACHSA-N 2 0 170.300 1.230 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] 318995743 371785571 /nfs/dbraw/zinc/78/55/71/371785571.db2.gz LOQSIFCWBRGQPK-AEJSXWLSSA-N 2 0 172.316 1.746 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)[NH3+] 319012535 371785626 /nfs/dbraw/zinc/78/56/26/371785626.db2.gz POKTWZHALLPYPF-AEJSXWLSSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] 318995744 371785669 /nfs/dbraw/zinc/78/56/69/371785669.db2.gz LOQSIFCWBRGQPK-GUBZILKMSA-N 2 0 172.316 1.746 10 0 ADAERP CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)[NH3+] 319012537 371785727 /nfs/dbraw/zinc/78/57/27/371785727.db2.gz POKTWZHALLPYPF-IVZWLZJFSA-N 2 0 172.316 1.748 10 0 ADAERP CC(C)[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 319178527 371786908 /nfs/dbraw/zinc/78/69/08/371786908.db2.gz NWWQNWLVZPJTSF-GHMZBOCLSA-N 2 0 184.327 1.763 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 319493897 371786927 /nfs/dbraw/zinc/78/69/27/371786927.db2.gz ZVGHQMJQPUSXOY-XWLWVQCSSA-N 2 0 184.327 1.761 10 0 ADAERP CC(C)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 319178531 371787385 /nfs/dbraw/zinc/78/73/85/371787385.db2.gz NWWQNWLVZPJTSF-WDEREUQCSA-N 2 0 184.327 1.763 10 0 ADAERP CC(C)[C@H](C)[NH2+]CC[C@@H](C)[NH3+] 319563682 371789129 /nfs/dbraw/zinc/78/91/29/371789129.db2.gz QDKZFXPMMWDHLE-BDAKNGLRSA-N 2 0 158.289 1.358 10 0 ADAERP CC(C)[C@@H](C)[NH2+]CC[C@@H](C)[NH3+] 319563690 371789760 /nfs/dbraw/zinc/78/97/60/371789760.db2.gz QDKZFXPMMWDHLE-RKDXNWHRSA-N 2 0 158.289 1.358 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])[C@H]1C[C@@H]1C 321923990 371790643 /nfs/dbraw/zinc/79/06/43/371790643.db2.gz RKZPKJIDPJSOHD-GUBZILKMSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])[C@@H]1C[C@@H]1C 321923988 371790798 /nfs/dbraw/zinc/79/07/98/371790798.db2.gz RKZPKJIDPJSOHD-AEJSXWLSSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])[C@H]1C[C@H]1C 321923991 371790957 /nfs/dbraw/zinc/79/09/57/371790957.db2.gz RKZPKJIDPJSOHD-UTLUCORTSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])[C@@H]1C[C@H]1C 321923989 371791281 /nfs/dbraw/zinc/79/12/81/371791281.db2.gz RKZPKJIDPJSOHD-BBBLOLIVSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H]([NH2+]CCC[NH3+])C1CCC1 322255313 371792188 /nfs/dbraw/zinc/79/21/88/371792188.db2.gz FIUXPCAJKLNQJU-SNVBAGLBSA-N 2 0 170.300 1.504 10 0 ADAERP CCC[C@H]([NH2+]CCC[NH3+])C1CCC1 322829342 371792493 /nfs/dbraw/zinc/79/24/93/371792493.db2.gz INEDIXVTHFFGIQ-NSHDSACASA-N 2 0 184.327 1.894 10 0 ADAERP CCC[C@@H]([NH2+]CCC[NH3+])C1CCC1 322829341 371792902 /nfs/dbraw/zinc/79/29/02/371792902.db2.gz INEDIXVTHFFGIQ-LLVKDONJSA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@H]([NH2+]CCC[NH3+])C1CCC1 322255311 371792997 /nfs/dbraw/zinc/79/29/97/371792997.db2.gz FIUXPCAJKLNQJU-JTQLQIEISA-N 2 0 170.300 1.504 10 0 ADAERP CC(C)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1CC1 324099449 371794068 /nfs/dbraw/zinc/79/40/68/371794068.db2.gz IUGRNNAVIFTOMS-QXEWZRGKSA-N 2 0 184.327 1.746 10 0 ADAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 323705284 371794212 /nfs/dbraw/zinc/79/42/12/371794212.db2.gz JPPSVOVVDCFJDY-SDDRHHMPSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CC1 323741725 371794245 /nfs/dbraw/zinc/79/42/45/371794245.db2.gz QHQWYWRKWVVCOC-USWWRNFRSA-N 2 0 196.338 1.763 10 0 ADAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 323705283 371794331 /nfs/dbraw/zinc/79/43/31/371794331.db2.gz JPPSVOVVDCFJDY-GRYCIOLGSA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1CC1 324099447 371794427 /nfs/dbraw/zinc/79/44/27/371794427.db2.gz IUGRNNAVIFTOMS-KKZNHRDASA-N 2 0 184.327 1.746 10 0 ADAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C1CC1 323741724 371794440 /nfs/dbraw/zinc/79/44/40/371794440.db2.gz QHQWYWRKWVVCOC-DLOVCJGASA-N 2 0 196.338 1.763 10 0 ADAERP CC(C)[C@H]([NH2+]CCC[NH3+])C1CC1 324100271 371794489 /nfs/dbraw/zinc/79/44/89/371794489.db2.gz IYBQANVJKAZBTJ-JTQLQIEISA-N 2 0 170.300 1.359 10 0 ADAERP CC(C)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1CC1 324099450 371794514 /nfs/dbraw/zinc/79/45/14/371794514.db2.gz IUGRNNAVIFTOMS-YWVKMMECSA-N 2 0 184.327 1.746 10 0 ADAERP CC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 323705937 371794597 /nfs/dbraw/zinc/79/45/97/371794597.db2.gz JPPSVOVVDCFJDY-SRVKXCTJSA-N 2 0 196.338 1.892 10 0 ADAERP 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644166473 371878968 /nfs/dbraw/zinc/87/89/68/371878968.db2.gz MAVOKFTYUKMRJK-LPEHRKFASA-N 2 0 180.295 1.256 10 0 ADAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC12CC2 644166496 371878991 /nfs/dbraw/zinc/87/89/91/371878991.db2.gz PKDFCYUQQIQTFH-GMTAPVOTSA-N 2 0 194.322 1.517 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC2 644166506 371879026 /nfs/dbraw/zinc/87/90/26/371879026.db2.gz RXWXWZFFURHVBG-HRDYMLBCSA-N 2 0 166.268 1.008 10 0 ADAERP C[C@@H]([NH2+][C@H]1C[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]1 644165985 371879066 /nfs/dbraw/zinc/87/90/66/371879066.db2.gz ONNMBTBSNYBYSK-ZIQFBCGOSA-N 2 0 194.322 1.515 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 644165976 371879095 /nfs/dbraw/zinc/87/90/95/371879095.db2.gz KBAPHKHRFOFTDZ-RCZSTQMZSA-N 2 0 180.295 1.254 10 0 ADAERP C[C@H]([NH2+][C@H]1CC12CC2)[C@H]1CC[NH2+]C1 644166419 371879168 /nfs/dbraw/zinc/87/91/68/371879168.db2.gz ABUHVBYXXDLLAM-GUBZILKMSA-N 2 0 180.295 1.127 10 0 ADAERP 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C[C@@H]1[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C[C@H]1C 644166549 371880308 /nfs/dbraw/zinc/88/03/08/371880308.db2.gz ZMJZWZPZIZGTTH-ROHXPCBUSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166520 371880323 /nfs/dbraw/zinc/88/03/23/371880323.db2.gz VLRGADSOBIDJIN-LZQZFOIKSA-N 2 0 196.338 1.890 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC12CC2 644166529 371880364 /nfs/dbraw/zinc/88/03/64/371880364.db2.gz XMBGZYQTBYIELQ-GMTAPVOTSA-N 2 0 194.322 1.789 10 0 ADAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC12CC2 644166545 371880412 /nfs/dbraw/zinc/88/04/12/371880412.db2.gz ZGRAGRYLEUIXFG-ZJUUUORDSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])[C@@H]1C[C@H]1C 644166519 371880422 /nfs/dbraw/zinc/88/04/22/371880422.db2.gz VLRGADSOBIDJIN-IYKVGLELSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166521 371880437 /nfs/dbraw/zinc/88/04/37/371880437.db2.gz VLRGADSOBIDJIN-RMPHRYRLSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@H]1[C@H](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166546 371880568 /nfs/dbraw/zinc/88/05/68/371880568.db2.gz ZMJZWZPZIZGTTH-IYKVGLELSA-N 2 0 196.338 1.890 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC12CC2 644166531 371880853 /nfs/dbraw/zinc/88/08/53/371880853.db2.gz XMBGZYQTBYIELQ-OUAUKWLOSA-N 2 0 194.322 1.789 10 0 ADAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@@H]1C 644166548 371880880 /nfs/dbraw/zinc/88/08/80/371880880.db2.gz ZMJZWZPZIZGTTH-OOCWMUITSA-N 2 0 196.338 1.890 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC12CC2 644166530 371880902 /nfs/dbraw/zinc/88/09/02/371880902.db2.gz XMBGZYQTBYIELQ-MXWKQRLJSA-N 2 0 194.322 1.789 10 0 ADAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC12CC2 644166544 371881054 /nfs/dbraw/zinc/88/10/54/371881054.db2.gz ZGRAGRYLEUIXFG-VHSXEESVSA-N 2 0 182.311 1.646 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC12CC2 644166532 371881066 /nfs/dbraw/zinc/88/10/66/371881066.db2.gz XMBGZYQTBYIELQ-VWYCJHECSA-N 2 0 194.322 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156.273 1.127 10 0 ADAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCC[NH3+] 42602212 409351910 /nfs/dbraw/zinc/35/19/10/409351910.db2.gz ITOFCXVTJGHNOC-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC[NH3+] 42602211 409352468 /nfs/dbraw/zinc/35/24/68/409352468.db2.gz ITOFCXVTJGHNOC-MNOVXSKESA-N 2 0 184.327 1.846 10 0 ADAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CCC[NH3+] 42602214 409352948 /nfs/dbraw/zinc/35/29/48/409352948.db2.gz ITOFCXVTJGHNOC-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCC[NH3+] 42602216 409354020 /nfs/dbraw/zinc/35/40/20/409354020.db2.gz ITOFCXVTJGHNOC-WDEREUQCSA-N 2 0 184.327 1.846 10 0 ADAERP CCC[N@H+](C)CCCc1cncn1C 653524056 409371610 /nfs/dbraw/zinc/37/16/10/409371610.db2.gz FVERZLSLMKSDOA-UHFFFAOYSA-N 2 0 195.310 1.695 10 0 ADAERP CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49708525 409373689 /nfs/dbraw/zinc/37/36/89/409373689.db2.gz WBWGGMINPRUJCC-UTLUCORTSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@H](C)C[NH+]1CCC([NH2+]C)CC1 50423185 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IEBKYIQGUBRHRX-RKDXNWHRSA-N 2 0 158.289 1.373 10 0 ADAERP C[C@H]([NH2+]CCC[NH3+])C1CCCC1 54080483 409390652 /nfs/dbraw/zinc/39/06/52/409390652.db2.gz PXCURMVSCFQZMT-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP CC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 54309157 409391743 /nfs/dbraw/zinc/39/17/43/409391743.db2.gz NWPCFSGIHFMEED-WDEREUQCSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 54309155 409391998 /nfs/dbraw/zinc/39/19/98/409391998.db2.gz NWPCFSGIHFMEED-QWRGUYRKSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 54309156 409392499 /nfs/dbraw/zinc/39/24/99/409392499.db2.gz NWPCFSGIHFMEED-GHMZBOCLSA-N 2 0 184.327 1.764 10 0 ADAERP CC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 54309154 409392749 /nfs/dbraw/zinc/39/27/49/409392749.db2.gz NWPCFSGIHFMEED-MNOVXSKESA-N 2 0 184.327 1.764 10 0 ADAERP CCCC[NH2+][C@@H]1CCC[NH2+]CC1 60148920 409398298 /nfs/dbraw/zinc/39/82/98/409398298.db2.gz MFIWKXIGDFNEDV-SNVBAGLBSA-N 2 0 170.300 1.518 10 0 ADAERP CCCC[NH2+][C@H]1CCC[NH2+]CC1 60148922 409398593 /nfs/dbraw/zinc/39/85/93/409398593.db2.gz MFIWKXIGDFNEDV-JTQLQIEISA-N 2 0 170.300 1.518 10 0 ADAERP CC[NH+](CC)C[C@]1(C)CC[NH2+]C1 62910726 409400842 /nfs/dbraw/zinc/40/08/42/409400842.db2.gz QZFJCYPCPNHJCQ-SNVBAGLBSA-N 2 0 170.300 1.328 10 0 ADAERP CC[NH+](CC)C[C@@]1(C)CC[NH2+]C1 62910727 409401474 /nfs/dbraw/zinc/40/14/74/409401474.db2.gz QZFJCYPCPNHJCQ-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP CCCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 62910835 409401651 /nfs/dbraw/zinc/40/16/51/409401651.db2.gz SSNZJLNAFFDQAP-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP CC[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 62841753 409402315 /nfs/dbraw/zinc/40/23/15/409402315.db2.gz BRBSYQQSOQSGMR-SNVBAGLBSA-N 2 0 184.327 1.764 10 0 ADAERP C1C[C@@H](C[NH2+]C(C2CC2)C2CC2)C[NH2+]1 62117081 409402492 /nfs/dbraw/zinc/40/24/92/409402492.db2.gz JWFFJPZNZVDFBJ-SECBINFHSA-N 2 0 194.322 1.374 10 0 ADAERP CC[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 62841754 409402737 /nfs/dbraw/zinc/40/27/37/409402737.db2.gz BRBSYQQSOQSGMR-JTQLQIEISA-N 2 0 184.327 1.764 10 0 ADAERP C1C[C@H](C[NH2+]C(C2CC2)C2CC2)C[NH2+]1 62117082 409402743 /nfs/dbraw/zinc/40/27/43/409402743.db2.gz JWFFJPZNZVDFBJ-VIFPVBQESA-N 2 0 194.322 1.374 10 0 ADAERP C[N@H+](CC(C)(C)C)C[C@]1(C)CC[NH2+]C1 62912172 409403254 /nfs/dbraw/zinc/40/32/54/409403254.db2.gz ZDQSIDNMRGZDPE-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP CC(C)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 62911114 409403323 /nfs/dbraw/zinc/40/33/23/409403323.db2.gz APXSKZIFDAUMAG-NSHDSACASA-N 2 0 184.327 1.574 10 0 ADAERP C[NH2+]CCC[N@@H+]1CCCC1(C)C 63066950 409403349 /nfs/dbraw/zinc/40/33/49/409403349.db2.gz HLEUGWRGNHIWIX-UHFFFAOYSA-N 2 0 170.300 1.470 10 0 ADAERP CC[C@H](C)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 62911144 409403426 /nfs/dbraw/zinc/40/34/26/409403426.db2.gz DPOAPVABSMDHEF-NWDGAFQWSA-N 2 0 198.354 1.964 10 0 ADAERP C[N@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 62911346 409403455 /nfs/dbraw/zinc/40/34/55/409403455.db2.gz FDXYNLPKWKSWGC-LLVKDONJSA-N 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198.354 1.964 10 0 ADAERP CC(C)[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 62911233 409404927 /nfs/dbraw/zinc/40/49/27/409404927.db2.gz LTGLAWUCOCHTCW-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP C[N@H+](CC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 62912171 409404941 /nfs/dbraw/zinc/40/49/41/409404941.db2.gz ZDQSIDNMRGZDPE-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP CCC[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 62911102 409405016 /nfs/dbraw/zinc/40/50/16/409405016.db2.gz OHHIRRIWCFCXKK-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP CC[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 62911119 409405055 /nfs/dbraw/zinc/40/50/55/409405055.db2.gz PYVKDUHULCRUKH-GHMZBOCLSA-N 2 0 184.327 1.716 10 0 ADAERP CC[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 62911059 409405108 /nfs/dbraw/zinc/40/51/08/409405108.db2.gz AAPZJMCCSKULRF-LLVKDONJSA-N 2 0 182.311 1.470 10 0 ADAERP CCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 62911108 409405151 /nfs/dbraw/zinc/40/51/51/409405151.db2.gz KGUNCKRASSGDRW-JTQLQIEISA-N 2 0 170.300 1.328 10 0 ADAERP CC[N@H+](CCC[NH2+]C)CC1CC1 68946866 409407189 /nfs/dbraw/zinc/40/71/89/409407189.db2.gz HCSFTMLSSZVJCJ-UHFFFAOYSA-N 2 0 170.300 1.328 10 0 ADAERP C[C@@H]1CCC[C@H]([NH2+]CCC[NH3+])[C@@H]1C 68624695 409407532 /nfs/dbraw/zinc/40/75/32/409407532.db2.gz AOPKHTALSHHYNJ-MXWKQRLJSA-N 2 0 184.327 1.750 10 0 ADAERP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH3+])[C@@H]1C 68624698 409407577 /nfs/dbraw/zinc/40/75/77/409407577.db2.gz AOPKHTALSHHYNJ-GMTAPVOTSA-N 2 0 184.327 1.750 10 0 ADAERP CC[N@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 68947579 409409293 /nfs/dbraw/zinc/40/92/93/409409293.db2.gz SGMZDCRYJUTKEB-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP CC[N@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 68947581 409409391 /nfs/dbraw/zinc/40/93/91/409409391.db2.gz SGMZDCRYJUTKEB-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP CC[N@H+](CC1CC1)[C@@H]1CCC[NH2+]CC1 68948761 409409812 /nfs/dbraw/zinc/40/98/12/409409812.db2.gz NKNCSIRJDRSYMA-GFCCVEGCSA-N 2 0 196.338 1.860 10 0 ADAERP CC[N@H+](CC1CC1)[C@H]1CCC[NH2+]CC1 68948763 409410047 /nfs/dbraw/zinc/41/00/47/409410047.db2.gz NKNCSIRJDRSYMA-LBPRGKRZSA-N 2 0 196.338 1.860 10 0 ADAERP CCCC[C@H](CC)[NH2+]CCC[NH3+] 68986714 409410085 /nfs/dbraw/zinc/41/00/85/409410085.db2.gz HIHKDBMWRLEGKT-JTQLQIEISA-N 2 0 172.316 1.894 10 0 ADAERP CCCC[C@@H](CC)[NH2+]CCC[NH3+] 68986710 409410274 /nfs/dbraw/zinc/41/02/74/409410274.db2.gz HIHKDBMWRLEGKT-SNVBAGLBSA-N 2 0 172.316 1.894 10 0 ADAERP Cc1c[nH+]ccc1NC[C@@H]([NH3+])C(C)C 70047703 409416028 /nfs/dbraw/zinc/41/60/28/409416028.db2.gz SUSFMPGOPWYIJF-SNVBAGLBSA-N 2 0 193.294 1.785 10 0 ADAERP CCC[NH2+]CCNc1cc[nH+]cc1C 70047598 409416582 /nfs/dbraw/zinc/41/65/82/409416582.db2.gz YVWHCSZFQZPVHL-UHFFFAOYSA-N 2 0 193.294 1.802 10 0 ADAERP CC[NH2+]CCCNc1cc[nH+]cc1C 70047538 409416781 /nfs/dbraw/zinc/41/67/81/409416781.db2.gz JAICPGMOZRVNQA-UHFFFAOYSA-N 2 0 193.294 1.802 10 0 ADAERP Cc1c[nH+]ccc1NCC[C@@H](C)[NH3+] 70047614 409416880 /nfs/dbraw/zinc/41/68/80/409416880.db2.gz MVURHDXCGAGEEJ-SECBINFHSA-N 2 0 179.267 1.539 10 0 ADAERP 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ZYYIFHMDQMQPNZ-PHIMTYICSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 655825947 409417834 /nfs/dbraw/zinc/41/78/34/409417834.db2.gz OWWMRNANHLKAQR-PHIMTYICSA-N 2 0 184.327 1.572 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 655827345 409418172 /nfs/dbraw/zinc/41/81/72/409418172.db2.gz TUHJTRFTOKAETF-SDDRHHMPSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(C)CC2)C1 655823953 409418326 /nfs/dbraw/zinc/41/83/26/409418326.db2.gz DAIYTGAZAZUWGL-PHIMTYICSA-N 2 0 196.338 1.716 10 0 ADAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 655827346 409418448 /nfs/dbraw/zinc/41/84/48/409418448.db2.gz TUHJTRFTOKAETF-UTUOFQBUSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2CC2)C1 655827320 409418783 /nfs/dbraw/zinc/41/87/83/409418783.db2.gz RRMHARVXDKEFJE-PHIMTYICSA-N 2 0 182.311 1.326 10 0 ADAERP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 656199175 409423775 /nfs/dbraw/zinc/42/37/75/409423775.db2.gz 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APAFUYPHJYJGTA-IVZWLZJFSA-N 2 0 188.290 1.594 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC3)C1 656200204 409425220 /nfs/dbraw/zinc/42/52/20/409425220.db2.gz HMYPIULMSDSZMX-BBBLOLIVSA-N 2 0 180.295 1.398 10 0 ADAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC3)C1 656200206 409425330 /nfs/dbraw/zinc/42/53/30/409425330.db2.gz HMYPIULMSDSZMX-OPRDCNLKSA-N 2 0 180.295 1.398 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC3)C1 656200207 409425423 /nfs/dbraw/zinc/42/54/23/409425423.db2.gz HMYPIULMSDSZMX-UTLUCORTSA-N 2 0 180.295 1.398 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 656269109 409426761 /nfs/dbraw/zinc/42/67/61/409426761.db2.gz LFPXFQVRFIQUCC-WYUUTHIRSA-N 2 0 196.338 1.572 10 0 ADAERP C[C@H]1C[C@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 656269100 409426910 /nfs/dbraw/zinc/42/69/10/409426910.db2.gz LFPXFQVRFIQUCC-FIQHERPVSA-N 2 0 196.338 1.572 10 0 ADAERP CC[C@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 70562708 409427283 /nfs/dbraw/zinc/42/72/83/409427283.db2.gz CNSBOUMKROVHJV-WDEREUQCSA-N 2 0 184.327 1.894 10 0 ADAERP C[C@H]1C[C@@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 656269108 409427379 /nfs/dbraw/zinc/42/73/79/409427379.db2.gz LFPXFQVRFIQUCC-NNYUYHANSA-N 2 0 196.338 1.572 10 0 ADAERP CC[C@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 70562706 409427380 /nfs/dbraw/zinc/42/73/80/409427380.db2.gz CNSBOUMKROVHJV-QWRGUYRKSA-N 2 0 184.327 1.894 10 0 ADAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 656269106 409427954 /nfs/dbraw/zinc/42/79/54/409427954.db2.gz LFPXFQVRFIQUCC-KKOKHZNYSA-N 2 0 196.338 1.572 10 0 ADAERP CC[C@@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 70562705 409428422 /nfs/dbraw/zinc/42/84/22/409428422.db2.gz CNSBOUMKROVHJV-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 70562707 409428866 /nfs/dbraw/zinc/42/88/66/409428866.db2.gz CNSBOUMKROVHJV-GHMZBOCLSA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)CCC[C@@H]([NH2+]CCC[NH3+])C1 70628987 409432835 /nfs/dbraw/zinc/43/28/35/409432835.db2.gz QGPBTUDHGMAXNQ-SNVBAGLBSA-N 2 0 184.327 1.894 10 0 ADAERP C[C@@H]1CC[C@H]([NH2+]CCC[NH3+])C1 70643359 409432909 /nfs/dbraw/zinc/43/29/09/409432909.db2.gz ZKNDKDJNPHLJLX-BDAKNGLRSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH3+] 70621543 409433255 /nfs/dbraw/zinc/43/32/55/409433255.db2.gz IJGZWHGGYOTPPB-MNOVXSKESA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)CCC([NH2+]CCC[NH3+])CC1 70623096 409433525 /nfs/dbraw/zinc/43/35/25/409433525.db2.gz SMZDQDHWHRPDDG-UHFFFAOYSA-N 2 0 184.327 1.894 10 0 ADAERP CC1(C)CCC[C@H]([NH2+]CCC[NH3+])C1 70628986 409433704 /nfs/dbraw/zinc/43/37/04/409433704.db2.gz QGPBTUDHGMAXNQ-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@H]1CCCC[C@H]1[NH2+]CCC[NH3+] 70621546 409433756 /nfs/dbraw/zinc/43/37/56/409433756.db2.gz IJGZWHGGYOTPPB-WDEREUQCSA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH3+] 70621545 409434028 /nfs/dbraw/zinc/43/40/28/409434028.db2.gz IJGZWHGGYOTPPB-GHMZBOCLSA-N 2 0 184.327 1.894 10 0 ADAERP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH3+] 70621544 409434064 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170.300 1.374 10 0 ADAERP CCC[C@H](C)C[NH2+][C@H]1CC[NH2+]C1 656787957 409450146 /nfs/dbraw/zinc/45/01/46/409450146.db2.gz PGZKLCLIGLRSSM-UWVGGRQHSA-N 2 0 170.300 1.374 10 0 ADAERP CN(CC(C)(C)[NH3+])CC1(F)CC1 656785215 409450514 /nfs/dbraw/zinc/45/05/14/409450514.db2.gz LQWBXKBZEBLXOE-UHFFFAOYSA-N 2 0 174.263 1.158 10 0 ADAERP [NH3+]CCC[NH+]1CCC(C2CCC2)CC1 656787169 409450869 /nfs/dbraw/zinc/45/08/69/409450869.db2.gz FDMFIBPCXWISCB-UHFFFAOYSA-N 2 0 196.338 1.847 10 0 ADAERP [NH3+]CCC[N@@H+]1CCC[C@H](CCF)C1 656792488 409452563 /nfs/dbraw/zinc/45/25/63/409452563.db2.gz RIAZOEIHMIFBJI-SNVBAGLBSA-N 2 0 188.290 1.407 10 0 ADAERP [NH3+]CCC[N@@H+]1CCC[C@@H](CCF)C1 656792485 409452084 /nfs/dbraw/zinc/45/20/84/409452084.db2.gz RIAZOEIHMIFBJI-JTQLQIEISA-N 2 0 188.290 1.407 10 0 ADAERP Cc1cc(N(C)[C@H]2CC[NH2+]C2)cc[nH+]1 107177676 409457037 /nfs/dbraw/zinc/45/70/37/409457037.db2.gz MGCGMYHRMRPDCF-NSHDSACASA-N 2 0 191.278 1.188 10 0 ADAERP Cc1cc(N(C)[C@@H]2CC[NH2+]C2)cc[nH+]1 107177674 409457090 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ZFXYNEBVBKIWMM-IVZWLZJFSA-N 2 0 168.284 1.064 10 0 ADAERP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC[NH3+] 124428891 409469376 /nfs/dbraw/zinc/46/93/76/409469376.db2.gz CLWGYSMMNJILHQ-NXEZZACHSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H]1CC[C@@H](C)[N@@H+]1CCC[NH3+] 124429110 409469579 /nfs/dbraw/zinc/46/95/79/409469579.db2.gz CLWGYSMMNJILHQ-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@H]1CC[C@H](C)[N@@H+]1CCC[NH3+] 124428680 409470341 /nfs/dbraw/zinc/47/03/41/409470341.db2.gz CLWGYSMMNJILHQ-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP FC(F)(F)CCCN[C@H]1CC[NH2+]C1 123998482 409470987 /nfs/dbraw/zinc/47/09/87/409470987.db2.gz IJDOVHRGFJYNDW-ZETCQYMHSA-N 2 0 196.216 1.280 10 0 ADAERP FC(F)(F)CCCN[C@@H]1CC[NH2+]C1 123998230 409471268 /nfs/dbraw/zinc/47/12/68/409471268.db2.gz IJDOVHRGFJYNDW-SSDOTTSWSA-N 2 0 196.216 1.280 10 0 ADAERP CC[C@@H]1CC[C@H](C)[N@@H+]1CCC[NH3+] 124428451 409471062 /nfs/dbraw/zinc/47/10/62/409471062.db2.gz CLWGYSMMNJILHQ-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP 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572016671 /nfs/dbraw/zinc/01/66/71/572016671.db2.gz LGJAQFIGSIBWHW-VIFPVBQESA-N 2 0 172.316 1.844 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(CC)CC[NH2+]C1 300389224 572156199 /nfs/dbraw/zinc/15/61/99/572156199.db2.gz RRTVNMHVODTTQX-WOPDTQHZSA-N 2 0 196.338 1.764 10 0 ADAERP CC(C)[NH2+]CCCC[NH+]1CCCC1 37482862 572156223 /nfs/dbraw/zinc/15/62/23/572156223.db2.gz LGKTZRPYYYXKKF-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP C[C@@H](C[NH2+]CC1(C)CC1)[C@@H](C)[NH3+] 235155392 572156230 /nfs/dbraw/zinc/15/62/30/572156230.db2.gz VTBHMDNLUQCOFU-DTWKUNHWSA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H]1C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 300387915 572156243 /nfs/dbraw/zinc/15/62/43/572156243.db2.gz PXSSTWAXQMBDTL-NEPJUHHUSA-N 2 0 196.338 1.764 10 0 ADAERP C[C@H]1CCC[NH2+][C@H]1C[NH2+]CC1CC1 235594656 572043716 /nfs/dbraw/zinc/04/37/16/572043716.db2.gz IXLGEILHWCNPBA-ONGXEEELSA-N 2 0 182.311 1.374 10 0 ADAERP C[C@H]([NH3+])CC[N@H+](C)CC1CCCC1 82492350 572043720 /nfs/dbraw/zinc/04/37/20/572043720.db2.gz 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CC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009753 573225724 /nfs/dbraw/zinc/22/57/24/573225724.db2.gz MBPCFYJRXQXESM-KXUCPTDWSA-N 2 0 170.300 1.312 10 0 ADAERP C[C@H]([NH3+])c1ccc([C@@H](C)[NH3+])cc1 115833740 573225841 /nfs/dbraw/zinc/22/58/41/573225841.db2.gz ZWUNOUUCOIIXHK-OCAPTIKFSA-N 2 0 164.252 1.726 10 0 ADAERP C[C@H]1C[C@@]([NH3+])(C[NH3+])CC[C@H]1C 82837916 573225902 /nfs/dbraw/zinc/22/59/02/573225902.db2.gz FXZUJSBSNLCVFD-HRDYMLBCSA-N 2 0 156.273 1.099 10 0 ADAERP C[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1(C)C 259384060 573225907 /nfs/dbraw/zinc/22/59/07/573225907.db2.gz LITWAAGLRYWAOQ-NSHDSACASA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H](C)c1coc(C[NH3+])c1 258599648 573225916 /nfs/dbraw/zinc/22/59/16/573225916.db2.gz USUJVOKTBPVVKW-ZCFIWIBFSA-N 2 0 154.213 1.019 10 0 ADAERP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCC[N@H+](C)C2)O1 258600250 573225959 /nfs/dbraw/zinc/22/59/59/573225959.db2.gz QRXNSISWCJHXDV-OUAUKWLOSA-N 2 0 198.310 1.053 10 0 ADAERP 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C[NH2+]C[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 86012441 573230078 /nfs/dbraw/zinc/23/00/78/573230078.db2.gz XOHMQIDNISMPMM-GUBZILKMSA-N 2 0 170.300 1.182 10 0 ADAERP C[NH2+]Cc1cccn1CCC[NH+](C)C 125948063 573230122 /nfs/dbraw/zinc/23/01/22/573230122.db2.gz ZQMYOFOFTUDGDK-UHFFFAOYSA-N 2 0 195.310 1.159 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1ccc2c(c1)CCC2 259386545 573230173 /nfs/dbraw/zinc/23/01/73/573230173.db2.gz NJPNKEQLZNDXGX-LBPRGKRZSA-N 2 0 190.290 1.524 10 0 ADAERP CC(C)[C@@H](C[NH3+])[C@H]([NH3+])C1CCCC1 259385826 573230213 /nfs/dbraw/zinc/23/02/13/573230213.db2.gz LDQGVWZTXFLNCI-GHMZBOCLSA-N 2 0 184.327 1.735 10 0 ADAERP C[C@@H](C[NH3+])[C@@H](c1ccc[nH]1)[NH+](C)C 259383345 573230262 /nfs/dbraw/zinc/23/02/62/573230262.db2.gz GSFWPHNDSNWBKN-WPRPVWTQSA-N 2 0 181.283 1.212 10 0 ADAERP C[C@H](C[NH3+])[C@H](c1ccc[nH]1)[NH+](C)C 259383340 573230371 /nfs/dbraw/zinc/23/03/71/573230371.db2.gz GSFWPHNDSNWBKN-PSASIEDQSA-N 2 0 181.283 1.212 10 0 ADAERP CC[C@@H]([NH2+]C)[C@@H]1CCCC[NH2+]1 259389944 573237068 /nfs/dbraw/zinc/23/70/68/573237068.db2.gz MHFOGWQHJVVVJY-BDAKNGLRSA-N 2 0 156.273 1.127 10 0 ADAERP C[NH+](C)CCC1=CCC[N@H+](C)C1 258244722 573237509 /nfs/dbraw/zinc/23/75/09/573237509.db2.gz XKGGDMQWDVJONF-UHFFFAOYSA-N 2 0 168.284 1.200 10 0 ADAERP CC1(C)[C@@H]([NH2+][C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] 716613460 573239408 /nfs/dbraw/zinc/23/94/08/573239408.db2.gz MJECYXFDLYIGBB-ZDCRXTMVSA-N 2 0 194.322 1.500 10 0 ADAERP C[C@@H]([NH3+])CCc1[nH+]cc2ccccn12 259387796 573239604 /nfs/dbraw/zinc/23/96/04/573239604.db2.gz HGNNXSRRXXBLBI-SECBINFHSA-N 2 0 189.262 1.614 10 0 ADAERP C[N@@H+]1CC[C@@H](SC(C)(C)C[NH3+])C1 259041909 573239872 /nfs/dbraw/zinc/23/98/72/573239872.db2.gz KSPFTXPEFYRYJO-MRVPVSSYSA-N 2 0 188.340 1.161 10 0 ADAERP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308527026 573239887 /nfs/dbraw/zinc/23/98/87/573239887.db2.gz QULJPJXVTMXFQY-KXNHARMFSA-N 2 0 196.338 1.748 10 0 ADAERP CC(=[NH2+])NCCC[NH2+]C(C)(C)C 393557575 573247101 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/nfs/dbraw/zinc/32/51/48/573325148.db2.gz QVHZYXPWLUEYSE-HWKANZROSA-N 2 0 191.278 1.510 10 0 ADAERP C[C@@H](CC[NH3+])[C@H]([NH3+])c1cccs1 259418397 573325350 /nfs/dbraw/zinc/32/53/50/573325350.db2.gz OXEVDCUAOBVXHU-CBAPKCEASA-N 2 0 184.308 1.733 10 0 ADAERP C[NH2+][C@H]1[C@H]2CC[C@@H]1[C@@H]([NH+](C)C)CC2 238342703 573325573 /nfs/dbraw/zinc/32/55/73/573325573.db2.gz HTFNAGUKERNJSG-VLEAKVRGSA-N 2 0 182.311 1.325 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])c1cccs1 259418403 573326146 /nfs/dbraw/zinc/32/61/46/573326146.db2.gz OXEVDCUAOBVXHU-VXNVDRBHSA-N 2 0 184.308 1.733 10 0 ADAERP C[C@@H](CC[NH3+])[C@H]([NH3+])c1cccnc1 259085125 573326174 /nfs/dbraw/zinc/32/61/74/573326174.db2.gz ADVKZIPHOOYNPC-WPRPVWTQSA-N 2 0 179.267 1.066 10 0 ADAERP CC[C@H]1CCC[N@@H+]1C[C@@H](C)C1C[NH2+]C1 129521749 573326219 /nfs/dbraw/zinc/32/62/19/573326219.db2.gz BYAMHLRXXGHSSX-PWSUYJOCSA-N 2 0 196.338 1.716 10 0 ADAERP C[C@@H]([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241171 573326265 /nfs/dbraw/zinc/32/62/65/573326265.db2.gz CHLRBWFLHIPDIA-SSDOTTSWSA-N 2 0 170.300 1.358 10 0 ADAERP CC1(C)C([NH2+]C[C@@H]2CC[NH2+]C2)C1(C)C 86241143 573326421 /nfs/dbraw/zinc/32/64/21/573326421.db2.gz CZZKOUQHEFWNKB-SECBINFHSA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)[N@@H+]1CCC[C@@H]1C(C)(C)C[NH3+] 259417267 573326569 /nfs/dbraw/zinc/32/65/69/573326569.db2.gz JIWFWJUWNSEXME-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH2+]Cc1cccc(C[NH+]2CCC2)c1 308549275 573326769 /nfs/dbraw/zinc/32/67/69/573326769.db2.gz QYDDAWWGIVNLAI-UHFFFAOYSA-N 2 0 190.290 1.612 10 0 ADAERP CCC[C@@H](CC1CC[NH2+]CC1)[NH2+]C 259417862 573326821 /nfs/dbraw/zinc/32/68/21/573326821.db2.gz NJHWDKYZIFFDPR-NSHDSACASA-N 2 0 184.327 1.764 10 0 ADAERP CC1(C)C([N@@H+]2CC[C@H](C[NH3+])C2)C1(C)C 86240425 573326964 /nfs/dbraw/zinc/32/69/64/573326964.db2.gz RAENWKWXIAJLCN-SECBINFHSA-N 2 0 196.338 1.702 10 0 ADAERP CC[C@H](C[NH3+])[C@@H](CC(C)C)[NH+](C)C 259418841 573328570 /nfs/dbraw/zinc/32/85/70/573328570.db2.gz HXIBUCRKFLHPQD-GHMZBOCLSA-N 2 0 186.343 1.948 10 0 ADAERP C[C@H](C[NH3+])C[NH2+]CCC1=CCCC1 308349070 573328706 /nfs/dbraw/zinc/32/87/06/573328706.db2.gz XKZKWOWEKHDTAH-SNVBAGLBSA-N 2 0 182.311 1.671 10 0 ADAERP C[C@H](CC[NH3+])[C@H]([NH3+])c1cccnc1 259085122 573328747 /nfs/dbraw/zinc/32/87/47/573328747.db2.gz ADVKZIPHOOYNPC-SCZZXKLOSA-N 2 0 179.267 1.066 10 0 ADAERP CC1(C)C([N@@H+]2CC[C@@H](C[NH3+])C2)C1(C)C 86240426 573329112 /nfs/dbraw/zinc/32/91/12/573329112.db2.gz RAENWKWXIAJLCN-VIFPVBQESA-N 2 0 196.338 1.702 10 0 ADAERP CC(C)[C@H]([NH3+])CC(C)(C)C[NH3+] 259085188 573329137 /nfs/dbraw/zinc/32/91/37/573329137.db2.gz AEGSOFVNRRUDIW-MRVPVSSYSA-N 2 0 158.289 1.345 10 0 ADAERP C[C@@H](CC[NH3+])[C@@H]([NH3+])c1cccnc1 259085124 573329170 /nfs/dbraw/zinc/32/91/70/573329170.db2.gz ADVKZIPHOOYNPC-WCBMZHEXSA-N 2 0 179.267 1.066 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)C1CC([NH3+])C1 259417728 573329181 /nfs/dbraw/zinc/32/91/81/573329181.db2.gz NILORGNCAYPUIF-RTBKNWGFSA-N 2 0 179.267 1.013 10 0 ADAERP C[NH2+]CC[C@@H]([NH3+])C1CCCC1 259085081 573329240 /nfs/dbraw/zinc/32/92/40/573329240.db2.gz ADFVVWQKXQTTLA-SECBINFHSA-N 2 0 156.273 1.113 10 0 ADAERP CC[C@H]([NH2+]C)C1CCC([NH3+])CC1 259417772 573329458 /nfs/dbraw/zinc/32/94/58/573329458.db2.gz NIUFQPXWJYHEOB-RTBKNWGFSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[C@H]([NH3+])C[NH2+]CC1(C)CCC1 233355574 573329490 /nfs/dbraw/zinc/32/94/90/573329490.db2.gz GXJSASOKPPCWNA-JTQLQIEISA-N 2 0 184.327 1.894 10 0 ADAERP C[NH2+]CC[C@H]([NH3+])C1CCCC1 259085083 573329564 /nfs/dbraw/zinc/32/95/64/573329564.db2.gz ADFVVWQKXQTTLA-VIFPVBQESA-N 2 0 156.273 1.113 10 0 ADAERP C[C@H]([NH3+])C[NH2+]C1C(C)(C)C1(C)C 86241170 573329584 /nfs/dbraw/zinc/32/95/84/573329584.db2.gz CHLRBWFLHIPDIA-ZETCQYMHSA-N 2 0 170.300 1.358 10 0 ADAERP [NH3+][C@H](C1CCCCC1)[C@@H]1CCC[NH2+]C1 259418437 573329708 /nfs/dbraw/zinc/32/97/08/573329708.db2.gz OXQPRFUCXRERJF-VXGBXAGGSA-N 2 0 196.338 1.894 10 0 ADAERP C[NH2+][C@H](c1cc[nH]c1)C1CC([NH3+])C1 259417732 573329717 /nfs/dbraw/zinc/32/97/17/573329717.db2.gz NILORGNCAYPUIF-UDNWOFFPSA-N 2 0 179.267 1.013 10 0 ADAERP CC1(C)C([NH2+]C[C@H]2CC[NH2+]C2)C1(C)C 86241144 573329746 /nfs/dbraw/zinc/32/97/46/573329746.db2.gz CZZKOUQHEFWNKB-VIFPVBQESA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)[C@@H]([NH3+])CC(C)(C)C[NH3+] 259085190 573329763 /nfs/dbraw/zinc/32/97/63/573329763.db2.gz AEGSOFVNRRUDIW-QMMMGPOBSA-N 2 0 158.289 1.345 10 0 ADAERP CCC[C@@H]([NH3+])C(C)(C)[NH+](C)C 74342085 573329800 /nfs/dbraw/zinc/32/98/00/573329800.db2.gz FDHVLYUYZHWNQU-MRVPVSSYSA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@H](CC[NH3+])[N@@H+]1CC2CCC1CC2 308549578 573329967 /nfs/dbraw/zinc/32/99/67/573329967.db2.gz WYHSCHWDPXPXIL-MOENNCHZSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H](CC[NH3+])[C@@H]([NH3+])c1cccnc1 259085120 573331270 /nfs/dbraw/zinc/33/12/70/573331270.db2.gz ADVKZIPHOOYNPC-PSASIEDQSA-N 2 0 179.267 1.066 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H]([NH2+]C)c1ccc(C)o1 259419287 573331724 /nfs/dbraw/zinc/33/17/24/573331724.db2.gz YFCFDVBYVYZRFP-GXSJLCMTSA-N 2 0 196.294 1.833 10 0 ADAERP CC[C@@H](CC[NH3+])[N@@H+]1CC2CCC1CC2 308549577 573331727 /nfs/dbraw/zinc/33/17/27/573331727.db2.gz WYHSCHWDPXPXIL-CXQJBGSLSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@H](CCC[NH+](C)C)[NH2+][C@@H]1C[C@H]1C 308345648 573334373 /nfs/dbraw/zinc/33/43/73/573334373.db2.gz VCPYGRIXKDRNEF-GMTAPVOTSA-N 2 0 184.327 1.715 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CCC1(C)C 308560527 573334396 /nfs/dbraw/zinc/33/43/96/573334396.db2.gz XAIXZIDFHIGMSH-QWRGUYRKSA-N 2 0 198.354 1.996 10 0 ADAERP C[NH2+][C@H](c1ccccc1F)[C@@H](C)C[NH3+] 259423522 573334520 /nfs/dbraw/zinc/33/45/20/573334520.db2.gz MVJQWNSYZSNMEQ-KWQFWETISA-N 2 0 196.269 1.681 10 0 ADAERP C[N@@H+]1CCCC[C@H]1C/C=C\CC[NH3+] 258004942 573334722 /nfs/dbraw/zinc/33/47/22/573334722.db2.gz ASCFKLSCAZVLMX-OTDNITJGSA-N 2 0 182.311 1.766 10 0 ADAERP [NH3+]CC1=CC[N@H+](Cc2ccco2)CC1 259087658 573334762 /nfs/dbraw/zinc/33/47/62/573334762.db2.gz DHGPGFOFKZYXHW-UHFFFAOYSA-N 2 0 192.262 1.370 10 0 ADAERP CC1(C)CC(=CC[NH3+])CC(C)(C)[NH2+]1 143624381 573334824 /nfs/dbraw/zinc/33/48/24/573334824.db2.gz GHQHDNVJWUGWEQ-UHFFFAOYSA-N 2 0 182.311 1.812 10 0 ADAERP CCCC1([NH3+])CC[NH+](C(C)C)CC1 37717122 573334849 /nfs/dbraw/zinc/33/48/49/573334849.db2.gz VYKOVSMBTKMNCY-UHFFFAOYSA-N 2 0 184.327 1.988 10 0 ADAERP [NH3+]CC1(N2Cc3ccccc3C2)CC1 236175093 573337708 /nfs/dbraw/zinc/33/77/08/573337708.db2.gz VYYNMWCJSRMZJS-UHFFFAOYSA-N 2 0 188.274 1.494 10 0 ADAERP C[C@H](CC[NH3+])[C@H]([NH+](C)C)C(C)(C)C 259421396 573337763 /nfs/dbraw/zinc/33/77/63/573337763.db2.gz IBEREAOBTHYQKD-ZJUUUORDSA-N 2 0 186.343 1.948 10 0 ADAERP CCC[C@@H]1C[NH2+][C@H](C)CC[NH2+]1 82961019 573338049 /nfs/dbraw/zinc/33/80/49/573338049.db2.gz GTJPRZKEEGAEPY-RKDXNWHRSA-N 2 0 156.273 1.127 10 0 ADAERP C[NH2+][C@@H](CC(C)C)CC(C)(C)[NH3+] 259423419 573338278 /nfs/dbraw/zinc/33/82/78/573338278.db2.gz NOMLTDLRDXNWKO-VIFPVBQESA-N 2 0 172.316 1.748 10 0 ADAERP [NH3+][C@H](C[C@@H]1CC[NH2+]C1)C1CCCCC1 259423300 573338385 /nfs/dbraw/zinc/33/83/85/573338385.db2.gz PDNSLTPUOVYZTI-CMPLNLGQSA-N 2 0 196.338 1.894 10 0 ADAERP C1CCC([C@H]2C[NH2+]CCC[NH2+]2)CC1 82960983 573338406 /nfs/dbraw/zinc/33/84/06/573338406.db2.gz GQNMZTZZDOUIMP-LLVKDONJSA-N 2 0 182.311 1.518 10 0 ADAERP C[NH2+]C[C@H](C[NH3+])C1CCCCC1 258288792 573342053 /nfs/dbraw/zinc/34/20/53/573342053.db2.gz NRYDPRLEPLKTBY-JTQLQIEISA-N 2 0 170.300 1.361 10 0 ADAERP CC(C)[NH2+]CCN(C(C)C)C1CC1 132745584 573342070 /nfs/dbraw/zinc/34/20/70/573342070.db2.gz IHLLMVVTQVICHY-UHFFFAOYSA-N 2 0 184.327 1.857 10 0 ADAERP CC(C)[N@@H+]1CC[C@H]([C@@]2(C)CCC[NH2+]2)C1 258306109 573342130 /nfs/dbraw/zinc/34/21/30/573342130.db2.gz VCDSSRSLUNGXSM-NWDGAFQWSA-N 2 0 196.338 1.859 10 0 ADAERP CC[C@@H](C)N(CC[NH3+])c1cc[nH+]cc1 308554697 573342163 /nfs/dbraw/zinc/34/21/63/573342163.db2.gz UNQYWXYMJOCVDU-SNVBAGLBSA-N 2 0 193.294 1.645 10 0 ADAERP CC[N@@H+]1CC[C@H]([C@H]2C[NH2+]C(C)(C)C2)C1 258307830 573342230 /nfs/dbraw/zinc/34/22/30/573342230.db2.gz VEKXBIUANUWEHP-WDEREUQCSA-N 2 0 196.338 1.716 10 0 ADAERP [NH3+][C@@H](CC1CC[NH2+]CC1)c1ccc[nH]1 259087184 573342238 /nfs/dbraw/zinc/34/22/38/573342238.db2.gz AHIYYNYYLXRGAA-JTQLQIEISA-N 2 0 193.294 1.404 10 0 ADAERP CC[N@@H+]1CC[C@@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258307825 573342277 /nfs/dbraw/zinc/34/22/77/573342277.db2.gz VEKXBIUANUWEHP-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP NC(=[NH2+])CCC[N@@H+]1CC2CCC1CC2 308554928 573342326 /nfs/dbraw/zinc/34/23/26/573342326.db2.gz ZFRHARYDVPMASJ-UHFFFAOYSA-N 2 0 195.310 1.577 10 0 ADAERP C[C@@H](C[NH3+])CC[NH2+]C1CC(C2CC2)C1 714673465 573342395 /nfs/dbraw/zinc/34/23/95/573342395.db2.gz XCTJENPICDMEAT-OIKLOGQESA-N 2 0 196.338 1.750 10 0 ADAERP [NH3+]CC1([N@@H+]2CC[C@H]3CCCC[C@@H]32)CC1 236173661 573342603 /nfs/dbraw/zinc/34/26/03/573342603.db2.gz IJGHXGQBZXLLAY-MNOVXSKESA-N 2 0 194.322 1.742 10 0 ADAERP CCOc1ccc([C@@H]([NH3+])CC[NH3+])cc1 259087104 573342620 /nfs/dbraw/zinc/34/26/20/573342620.db2.gz AGQBRQGKAFDLQI-NSHDSACASA-N 2 0 194.278 1.434 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573347408 /nfs/dbraw/zinc/34/74/08/573347408.db2.gz KBIDHTRYLBJUQE-RKDXNWHRSA-N 2 0 170.300 1.373 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1CCC1 259091889 573347425 /nfs/dbraw/zinc/34/74/25/573347425.db2.gz RUKOVPUWZJPCQE-IUCAKERBSA-N 2 0 154.257 1.008 10 0 ADAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]C(C)(C)C 86272711 573347450 /nfs/dbraw/zinc/34/74/50/573347450.db2.gz KBIDHTRYLBJUQE-BDAKNGLRSA-N 2 0 170.300 1.373 10 0 ADAERP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H]1C 86272685 573347518 /nfs/dbraw/zinc/34/75/18/573347518.db2.gz KAFANPKLJOZIME-GRYCIOLGSA-N 2 0 196.338 1.859 10 0 ADAERP C1=CCC([NH2+]CCC[NH+]2CCCC2)C1 132927930 573347521 /nfs/dbraw/zinc/34/75/21/573347521.db2.gz KSQPWCPNGGIFCA-UHFFFAOYSA-N 2 0 194.322 1.781 10 0 ADAERP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]C1(C)CCCC1 86273273 573347637 /nfs/dbraw/zinc/34/76/37/573347637.db2.gz KPSSBOLOAFEEFE-GHMZBOCLSA-N 2 0 196.338 1.907 10 0 ADAERP Cn1cncc1[C@@H]([NH3+])CCC1CC1 126114582 573347716 /nfs/dbraw/zinc/34/77/16/573347716.db2.gz 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/nfs/dbraw/zinc/42/52/81/573425281.db2.gz IYCGLTHQNWRIAX-PWSUYJOCSA-N 2 0 196.338 1.846 10 0 ADAERP C[N@H+](CC[C@@H]([NH3+])C1CC1)C1CC1 130014057 573425306 /nfs/dbraw/zinc/42/53/06/573425306.db2.gz WHBGXSXFMQVKDH-SNVBAGLBSA-N 2 0 168.284 1.208 10 0 ADAERP CC[N@H+](CC[C@@H]([NH3+])C1CC1)C(C)C 130014507 573425328 /nfs/dbraw/zinc/42/53/28/573425328.db2.gz BAZGEQXLNJCEOW-LLVKDONJSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H]1C[NH+]([C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C 86433066 573427814 /nfs/dbraw/zinc/42/78/14/573427814.db2.gz WSZOXSKBXKZGIV-CHWFTXMASA-N 2 0 182.311 1.454 10 0 ADAERP C[C@@]1([C@H]2CCCC[NH2+]2)CCCC[NH2+]1 258029008 573427130 /nfs/dbraw/zinc/42/71/30/573427130.db2.gz BZDJUVABHKBFEB-MNOVXSKESA-N 2 0 182.311 1.661 10 0 ADAERP CC(C)[N@H+](C)CC[C@H]([NH3+])C1CC1 130007489 573427193 /nfs/dbraw/zinc/42/71/93/573427193.db2.gz CXJIKGTYHICABL-JTQLQIEISA-N 2 0 170.300 1.454 10 0 ADAERP C[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])C1 86432717 573427217 /nfs/dbraw/zinc/42/72/17/573427217.db2.gz LOJSEBDHCCQLBX-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H](C[NH3+])C1 214887481 573427219 /nfs/dbraw/zinc/42/72/19/573427219.db2.gz URGQLVVCVNKKRJ-NEPJUHHUSA-N 2 0 198.354 1.997 10 0 ADAERP [NH3+]Cc1cc2c(C[NH3+])cccc2s1 258028186 573427221 /nfs/dbraw/zinc/42/72/21/573427221.db2.gz MUWXLMBYOTZDHG-UHFFFAOYSA-N 2 0 192.287 1.819 10 0 ADAERP CC1(C)CCC[N@@H+]([C@H]2CC[C@H]([NH3+])C2)C1 86432936 573427262 /nfs/dbraw/zinc/42/72/62/573427262.db2.gz PZDGQTTTYGAGRH-QWRGUYRKSA-N 2 0 196.338 1.988 10 0 ADAERP CC[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C1CC1 130017801 573427300 /nfs/dbraw/zinc/42/73/00/573427300.db2.gz IANKTPXRKKXHGT-KOLCDFICSA-N 2 0 184.327 1.844 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](CC2([NH3+])CC2)C1 258028388 573427302 /nfs/dbraw/zinc/42/73/02/573427302.db2.gz NUVNHJCCZHUCAR-SNVBAGLBSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[NH3+])c1 257811309 573427323 /nfs/dbraw/zinc/42/73/23/573427323.db2.gz BDJMQVAORUFHFI-QMMMGPOBSA-N 2 0 194.278 1.434 10 0 ADAERP CC[N@@H+]1CCC[C@H]([C@@H](F)C[NH3+])C1 257811505 573427343 /nfs/dbraw/zinc/42/73/43/573427343.db2.gz BEDSCYCBXBXTSF-IUCAKERBSA-N 2 0 174.263 1.015 10 0 ADAERP CC(C)[N@H+]1CC=C(C[NH+](C)C)CC1 258029386 573427347 /nfs/dbraw/zinc/42/73/47/573427347.db2.gz KAMNBEZYSKKIAG-UHFFFAOYSA-N 2 0 182.311 1.589 10 0 ADAERP C[C@H](C[NH3+])C[N@H+](C)Cc1ccc[nH]1 258650276 573427384 /nfs/dbraw/zinc/42/73/84/573427384.db2.gz AOGDJSKYUIQORQ-SECBINFHSA-N 2 0 181.283 1.041 10 0 ADAERP CC1(C)CCC[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86432935 573427385 /nfs/dbraw/zinc/42/73/85/573427385.db2.gz PZDGQTTTYGAGRH-WDEREUQCSA-N 2 0 196.338 1.988 10 0 ADAERP CCSCC[C@@H](C)[NH2+]CCC[NH3+] 133795089 573427444 /nfs/dbraw/zinc/42/74/44/573427444.db2.gz OMIHIACMKKUYRE-SECBINFHSA-N 2 0 190.356 1.457 10 0 ADAERP C[NH2+]CCCc1[nH+]cc2ccccn12 258029540 573427462 /nfs/dbraw/zinc/42/74/62/573427462.db2.gz AQUOKXRVENQYPX-UHFFFAOYSA-N 2 0 189.262 1.486 10 0 ADAERP C[NH2+]C/C=C\C[C@@H]1CCC[N@@H+]1C 258028965 573427565 /nfs/dbraw/zinc/42/75/65/573427565.db2.gz BYSUHEFNWUHIQO-UMBAGQNISA-N 2 0 168.284 1.246 10 0 ADAERP CCC[N@H+](CC)CC[C@@H]([NH3+])C1CC1 130015817 573427597 /nfs/dbraw/zinc/42/75/97/573427597.db2.gz NZNIMMXEIMXIQB-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H](CC(F)F)[NH2+]C[C@@H](C)[C@@H](C)[NH3+] 308382288 573427647 /nfs/dbraw/zinc/42/76/47/573427647.db2.gz REFNPPCLQGEPEJ-BWZBUEFSSA-N 2 0 194.269 1.603 10 0 ADAERP C[C@@H](C[NH2+][C@H](C)CC(F)F)[C@@H](C)[NH3+] 308382298 573427657 /nfs/dbraw/zinc/42/76/57/573427657.db2.gz REFNPPCLQGEPEJ-XLPZGREQSA-N 2 0 194.269 1.603 10 0 ADAERP CCC[N@H+](CC[C@H]([NH3+])C1CC1)C1CC1 130016517 573427700 /nfs/dbraw/zinc/42/77/00/573427700.db2.gz LZAVYQBYJPFIQU-LBPRGKRZSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@@H](CC[NH3+])C[N@@H+]1C1CC1 107223935 573430679 /nfs/dbraw/zinc/43/06/79/573430679.db2.gz GIKXXWMNJJTDRG-RKDXNWHRSA-N 2 0 168.284 1.208 10 0 ADAERP [NH3+][C@@H](CC[NH2+]C1CCCC1)C1CC1 130038669 573430702 /nfs/dbraw/zinc/43/07/02/573430702.db2.gz HOIFSILUDKATLQ-NSHDSACASA-N 2 0 182.311 1.646 10 0 ADAERP CC[C@@H]1[N@H+](C)CC[C@@]12CC[NH2+]C2 107223905 573430709 /nfs/dbraw/zinc/43/07/09/573430709.db2.gz QFFUDTSIWOHLLM-VHSXEESVSA-N 2 0 168.284 1.080 10 0 ADAERP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C1CC1 107223967 573430737 /nfs/dbraw/zinc/43/07/37/573430737.db2.gz ZIJZSKSPZPLBFX-IUCAKERBSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H](C1CC1)[N@H+](C)CC[C@H]([NH3+])C1CC1 130026046 573430772 /nfs/dbraw/zinc/43/07/72/573430772.db2.gz XBUBGTDZRGBTJR-SKDRFNHKSA-N 2 0 196.338 1.844 10 0 ADAERP C[C@@H]1[N@H+](C)CC[C@]12CCC[NH2+]C2 107223656 573430830 /nfs/dbraw/zinc/43/08/30/573430830.db2.gz GCDRPUICOVOBPX-UWVGGRQHSA-N 2 0 168.284 1.080 10 0 ADAERP C[N@@H+]1CC[C@@H](CNC2=[NH+]CCCC2)C1 86454729 573430842 /nfs/dbraw/zinc/43/08/42/573430842.db2.gz CQCTZDANOKIJHL-JTQLQIEISA-N 2 0 195.310 1.110 10 0 ADAERP CC[C@H]1CCC[N@@H+]1CC[C@H]([NH3+])C1CC1 130032841 573431018 /nfs/dbraw/zinc/43/10/18/573431018.db2.gz POURAKGVLKXHML-RYUDHWBXSA-N 2 0 196.338 1.988 10 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/nfs/dbraw/zinc/43/44/35/573434435.db2.gz JDMQQXDGHRDDEK-NXEZZACHSA-N 2 0 170.300 1.469 10 0 ADAERP C[NH2+]CCC1(C[NH3+])CCCCC1 133727570 573434516 /nfs/dbraw/zinc/43/45/16/573434516.db2.gz VOQGBSBDEDGOCX-UHFFFAOYSA-N 2 0 170.300 1.505 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H]2C[NH2+]C(C)(C)C2)C1 258031308 573434618 /nfs/dbraw/zinc/43/46/18/573434618.db2.gz BZUNEMUSOIWQBA-VHSXEESVSA-N 2 0 182.311 1.326 10 0 ADAERP CC[C@@H](C[C@@H]1CCC[NH2+]1)[NH+](C)C 259448426 573434658 /nfs/dbraw/zinc/43/46/58/573434658.db2.gz JDMQQXDGHRDDEK-UWVGGRQHSA-N 2 0 170.300 1.469 10 0 ADAERP [NH3+]Cc1cccc(C[C@H]2CC[NH2+]C2)c1 257812322 573434735 /nfs/dbraw/zinc/43/47/35/573434735.db2.gz BSBDXNUBCHNEBQ-GFCCVEGCSA-N 2 0 190.290 1.297 10 0 ADAERP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)C[NH+](C)C 308581842 573434745 /nfs/dbraw/zinc/43/47/45/573434745.db2.gz PQFGIVRMGNKXTH-MNOVXSKESA-N 2 0 198.354 1.820 10 0 ADAERP C[C@H]1CC2(CC[NH2+]CC2)C[N@@H+]1C 107223677 573434774 /nfs/dbraw/zinc/43/47/74/573434774.db2.gz DQPGHVSSYUSBLJ-VIFPVBQESA-N 2 0 168.284 1.080 10 0 ADAERP C[C@H]1[N@H+](C)CCC[C@]12CC[NH2+]C2 107223914 573434821 /nfs/dbraw/zinc/43/48/21/573434821.db2.gz QSKYBSRIIIGXHA-NXEZZACHSA-N 2 0 168.284 1.080 10 0 ADAERP CC(C)C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CC[N@@H+]1C 107237552 573446810 /nfs/dbraw/zinc/44/68/10/573446810.db2.gz CKNLQHAJJIKVGY-QJPTWQEYSA-N 2 0 196.338 1.572 10 0 ADAERP CCC(CC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]21 308587150 573446203 /nfs/dbraw/zinc/44/62/03/573446203.db2.gz SOEFBRVYTSNTFD-ADEWGFFLSA-N 2 0 196.338 1.763 10 0 ADAERP CCCC(C)(C)[N@@H+]1CC[C@H](C[NH3+])C1 126260096 573446281 /nfs/dbraw/zinc/44/62/81/573446281.db2.gz AIBFGSFNGSOXDH-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)[N@@H+]1C[C@@]2(CCC[NH2+]C2)C[C@H]1C 107237448 573446300 /nfs/dbraw/zinc/44/63/00/573446300.db2.gz HLXIAVLPEGZJPH-NEPJUHHUSA-N 2 0 196.338 1.859 10 0 ADAERP [NH3+]Cc1ccccc1[C@@H]1CCC[NH2+]1 257816715 573446315 /nfs/dbraw/zinc/44/63/15/573446315.db2.gz DIXKGMVOYUBIHO-NSHDSACASA-N 2 0 176.263 1.570 10 0 ADAERP CC(C)N(C)CC[NH2+]C[C@@]1(C)C[C@@H]1C 714698248 573446531 /nfs/dbraw/zinc/44/65/31/573446531.db2.gz LIXSTAJXAFIZRW-NWDGAFQWSA-N 2 0 198.354 1.962 10 0 ADAERP CC(C)[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CC[N@@H+]1C 107237524 573446555 /nfs/dbraw/zinc/44/65/55/573446555.db2.gz BHWJUVUZOIYXEG-GRYCIOLGSA-N 2 0 196.338 1.572 10 0 ADAERP CC(C)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CC[N@@H+]1C 107237520 573446600 /nfs/dbraw/zinc/44/66/00/573446600.db2.gz BHWJUVUZOIYXEG-IJLUTSLNSA-N 2 0 196.338 1.572 10 0 ADAERP CC[C@@H]1[N@H+](C)CCC[C@@]12CCC[NH2+]C2 107237439 573446735 /nfs/dbraw/zinc/44/67/35/573446735.db2.gz FYXWZPLJAQDDHI-NWDGAFQWSA-N 2 0 196.338 1.860 10 0 ADAERP CCC[N@@H+]1C[C@@H](N)CC1(C)C 258654102 573446761 /nfs/dbraw/zinc/44/67/61/573446761.db2.gz DOYULKNYWPUPGN-QMMMGPOBSA-N 2 0 156.273 1.208 10 0 ADAERP [NH3+][C@H](C[C@@H]1CC[NH2+]C1)c1cccs1 259454943 573457125 /nfs/dbraw/zinc/45/71/25/573457125.db2.gz QPUDYDUSUDRLLD-DTWKUNHWSA-N 2 0 196.319 1.748 10 0 ADAERP C[NH2+]C/C=C\[C@H]1CCC[N@@H+]1C(C)C 258353821 573457143 /nfs/dbraw/zinc/45/71/43/573457143.db2.gz YTHRZTILOUJMPE-QZPNVGJNSA-N 2 0 182.311 1.635 10 0 ADAERP CC[C@H](C[NH3+])[C@@H]([NH3+])c1ccc(F)cc1 259454721 573457144 /nfs/dbraw/zinc/45/71/44/573457144.db2.gz OHZWFTACPQSKCA-LDYMZIIASA-N 2 0 196.269 1.810 10 0 ADAERP C[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CCC[NH2+]1 238403794 573457235 /nfs/dbraw/zinc/45/72/35/573457235.db2.gz WADBWRQBRHNRPO-UTLUCORTSA-N 2 0 168.284 1.127 10 0 ADAERP C[C@H]1CC[C@H]1[NH2+]CC1(C[NH3+])CCCC1 308590512 573457245 /nfs/dbraw/zinc/45/72/45/573457245.db2.gz KDWWIFGCLYZTCH-WDEREUQCSA-N 2 0 196.338 1.894 10 0 ADAERP C[C@@H]([NH3+])CC[C@H]([NH3+])c1ccccn1 259458469 573457302 /nfs/dbraw/zinc/45/73/02/573457302.db2.gz QUDKWWHTEROIRP-BDAKNGLRSA-N 2 0 179.267 1.209 10 0 ADAERP CC(C)C[C@@H]([NH3+])C1(C[NH3+])CC1 259454728 573457341 /nfs/dbraw/zinc/45/73/41/573457341.db2.gz OIHCGHVVADBDKM-MRVPVSSYSA-N 2 0 156.273 1.099 10 0 ADAERP CC[C@]1(C[NH2+][C@@H]2CC[C@H]2C)CC[NH2+]C1 308590533 573457429 /nfs/dbraw/zinc/45/74/29/573457429.db2.gz KDYYECXATIKXCT-UTUOFQBUSA-N 2 0 196.338 1.764 10 0 ADAERP C[NH+](C)[C@H](CCC[NH3+])c1ccccn1 259454673 573457431 /nfs/dbraw/zinc/45/74/31/573457431.db2.gz JKGMNTGHBCOVLC-LLVKDONJSA-N 2 0 193.294 1.423 10 0 ADAERP [NH3+][C@@H](C[C@H]1CC[NH2+]C1)c1cccs1 259454942 573457478 /nfs/dbraw/zinc/45/74/78/573457478.db2.gz QPUDYDUSUDRLLD-BDAKNGLRSA-N 2 0 196.319 1.748 10 0 ADAERP C[C@H]([NH3+])CC[C@@H]([NH3+])c1ccccn1 259458472 573457496 /nfs/dbraw/zinc/45/74/96/573457496.db2.gz QUDKWWHTEROIRP-DTWKUNHWSA-N 2 0 179.267 1.209 10 0 ADAERP [NH3+]C[C@@H](C[NH+]1CCCCC1)C1CC1 258353505 573457529 /nfs/dbraw/zinc/45/75/29/573457529.db2.gz RALVNIMJJAGFFB-NSHDSACASA-N 2 0 182.311 1.457 10 0 ADAERP C(C[NH+]1CCCC1)=C1CC[NH2+]CC1 257813998 573457635 /nfs/dbraw/zinc/45/76/35/573457635.db2.gz CHFIGILFUVSYBA-UHFFFAOYSA-N 2 0 180.295 1.392 10 0 ADAERP C[NH2+]CC/C=C\C1CC[NH2+]CC1 258366102 573457655 /nfs/dbraw/zinc/45/76/55/573457655.db2.gz ZTDPACSUKSIOTI-RQOWECAXSA-N 2 0 168.284 1.152 10 0 ADAERP C[NH2+][C@H](CC(C)(C)[NH3+])c1cc[nH]c1 259456140 573457687 /nfs/dbraw/zinc/45/76/87/573457687.db2.gz PHZKIWUDAOGIOY-SECBINFHSA-N 2 0 181.283 1.403 10 0 ADAERP C[N@@H+]1CCC2(CC[NH2+]CC2)[C@H](F)C1 257814509 573457704 /nfs/dbraw/zinc/45/77/04/573457704.db2.gz CJOKZAFTBIXBGI-SECBINFHSA-N 2 0 186.274 1.030 10 0 ADAERP CC(C)C[C@H]([NH3+])C1(C[NH3+])CC1 259454729 573457706 /nfs/dbraw/zinc/45/77/06/573457706.db2.gz OIHCGHVVADBDKM-QMMMGPOBSA-N 2 0 156.273 1.099 10 0 ADAERP C[C@@H](C[C@H]1CC[NH2+]C1)[NH+]1CCCC1 257814022 573457718 /nfs/dbraw/zinc/45/77/18/573457718.db2.gz CIKPZTXSNLFNTM-WDEREUQCSA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+][C@H](C1CCCCC1)[C@H]1CC[NH2+]C1 259456153 573457743 /nfs/dbraw/zinc/45/77/43/573457743.db2.gz PICMFVRMPLSRNW-NWDGAFQWSA-N 2 0 196.338 1.764 10 0 ADAERP CC[C@H]([NH2+]C)c1ccc(C[NH3+])cc1 259456133 573457787 /nfs/dbraw/zinc/45/77/87/573457787.db2.gz PHVBMEQTGREGHU-NSHDSACASA-N 2 0 178.279 1.816 10 0 ADAERP 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573472954 /nfs/dbraw/zinc/47/29/54/573472954.db2.gz HQSSVWVLFKGQSQ-LBPRGKRZSA-N 2 0 196.338 1.718 10 0 ADAERP CCC[C@@H]([NH2+]C)C(C)(C)[NH2+]C 259463064 573473049 /nfs/dbraw/zinc/47/30/49/573473049.db2.gz PQDZLIOEJATMME-MRVPVSSYSA-N 2 0 158.289 1.373 10 0 ADAERP C[C@@H](C[NH3+])CNc1cc[nH+]cc1 83387613 573473131 /nfs/dbraw/zinc/47/31/31/573473131.db2.gz VLCYMFBXNJDCKG-QMMMGPOBSA-N 2 0 165.240 1.088 10 0 ADAERP CCC[C@H]([NH2+]C)C(C)(C)[NH2+]C 259463065 573473182 /nfs/dbraw/zinc/47/31/82/573473182.db2.gz PQDZLIOEJATMME-QMMMGPOBSA-N 2 0 158.289 1.373 10 0 ADAERP CC(C)C[C@@H]([C@H]1CCC[NH2+]C1)[NH+](C)C 259464216 573473513 /nfs/dbraw/zinc/47/35/13/573473513.db2.gz JVRJCSQCOAZXLN-RYUDHWBXSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH+](CC)CCCSCC[NH3+] 238240261 573473585 /nfs/dbraw/zinc/47/35/85/573473585.db2.gz SNVCQKYLVKMTER-UHFFFAOYSA-N 2 0 190.356 1.410 10 0 ADAERP C[N@@H+]1CCC[C@@H](C(F)(F)CC[NH3+])C1 107282142 573473826 /nfs/dbraw/zinc/47/38/26/573473826.db2.gz OQGGRYVFDONEEX-MRVPVSSYSA-N 2 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C[NH2+]C[C@H](C)C[NH+]1C[C@H]2CCC[C@@H]2C1 126285279 573474425 /nfs/dbraw/zinc/47/44/25/573474425.db2.gz HBJLOCCMGRCRRF-QJPTWQEYSA-N 2 0 196.338 1.574 10 0 ADAERP CC(C)[C@@H](C[NH3+])C[NH2+]CCC(F)F 308392087 573474665 /nfs/dbraw/zinc/47/46/65/573474665.db2.gz YZIPQVIOQMGBDR-QMMMGPOBSA-N 2 0 194.269 1.462 10 0 ADAERP [NH3+][C@H](CC[NH2+]CCC1CC1)C1CC1 130119318 573474748 /nfs/dbraw/zinc/47/47/48/573474748.db2.gz IDJLJOXMURTMAE-LLVKDONJSA-N 2 0 182.311 1.504 10 0 ADAERP C[NH+]1CCC([C@H](F)CC[NH3+])CC1 107282131 573474874 /nfs/dbraw/zinc/47/48/74/573474874.db2.gz HBRYFIDLYWHKIH-SECBINFHSA-N 2 0 174.263 1.015 10 0 ADAERP C[NH+]1CCC([C@@H](F)CC[NH3+])CC1 107282133 573475002 /nfs/dbraw/zinc/47/50/02/573475002.db2.gz HBRYFIDLYWHKIH-VIFPVBQESA-N 2 0 174.263 1.015 10 0 ADAERP CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]C1 238238912 573475071 /nfs/dbraw/zinc/47/50/71/573475071.db2.gz LSZIDZJYBAYSPC-UWVGGRQHSA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)([NH3+])C[C@H]([NH3+])c1ccncc1 259467401 573475377 /nfs/dbraw/zinc/47/53/77/573475377.db2.gz RKLZLSJTPUUBGQ-VIFPVBQESA-N 2 0 179.267 1.209 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@H](F)CC[NH3+])C1 107282134 573475455 /nfs/dbraw/zinc/47/54/55/573475455.db2.gz OSPFZTPHIBYLEU-DTWKUNHWSA-N 2 0 174.263 1.015 10 0 ADAERP C[NH2+][C@H](CCC[NH3+])c1ccc(C)o1 259100552 573475510 /nfs/dbraw/zinc/47/55/10/573475510.db2.gz AHFLZIFEPQNRHU-SECBINFHSA-N 2 0 182.267 1.587 10 0 ADAERP [NH3+][C@@H](CC[NH2+]CCC1CC1)C1CC1 130119127 573475520 /nfs/dbraw/zinc/47/55/20/573475520.db2.gz IDJLJOXMURTMAE-NSHDSACASA-N 2 0 182.311 1.504 10 0 ADAERP CCC[C@@H](C[C@H]1CCC[NH2+]C1)[NH2+]C 259466486 573475642 /nfs/dbraw/zinc/47/56/42/573475642.db2.gz PWJKAZCQWOVGGT-MNOVXSKESA-N 2 0 184.327 1.764 10 0 ADAERP C[NH2+][C@@H](c1cccs1)C1CC([NH3+])C1 259464766 573475810 /nfs/dbraw/zinc/47/58/10/573475810.db2.gz PTEPBELOUOXMJS-SFVIPPHHSA-N 2 0 196.319 1.746 10 0 ADAERP C[C@@H]1CCC[C@H]1[NH+]1CCC(C[NH3+])CC1 83394186 573479197 /nfs/dbraw/zinc/47/91/97/573479197.db2.gz WIYPROVZKMQZAJ-ZYHUDNBSSA-N 2 0 196.338 1.846 10 0 ADAERP CC[C@H](C[NH3+])CC[NH2+]CC(F)F 147851486 573479204 /nfs/dbraw/zinc/47/92/04/573479204.db2.gz MJGHXBXJZRZOHJ-ZETCQYMHSA-N 2 0 180.242 1.216 10 0 ADAERP CC(C)C[C@H]([C@@H]1CCC[NH2+]C1)[NH+](C)C 259464219 573479281 /nfs/dbraw/zinc/47/92/81/573479281.db2.gz JVRJCSQCOAZXLN-VXGBXAGGSA-N 2 0 198.354 1.962 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1CC[NH+]1CCCC1 86530789 573479495 /nfs/dbraw/zinc/47/94/95/573479495.db2.gz LQHWGYGNOOUVBK-WDEREUQCSA-N 2 0 182.311 1.600 10 0 ADAERP c1ccc(CC[NH2+]CC2C[NH2+]C2)cc1 258669296 573479599 /nfs/dbraw/zinc/47/95/99/573479599.db2.gz HMSLHCWZLSRFOH-UHFFFAOYSA-N 2 0 190.290 1.038 10 0 ADAERP [NH3+][C@H]1CCC[C@@H]1CC[NH+]1CCCCC1 86530980 573479853 /nfs/dbraw/zinc/47/98/53/573479853.db2.gz CWUAXVVDOLSIPT-NEPJUHHUSA-N 2 0 196.338 1.990 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C2C[NH2+]C2)cc1C 259470694 573485245 /nfs/dbraw/zinc/48/52/45/573485245.db2.gz RRRQHTFUDUSAMF-GFCCVEGCSA-N 2 0 190.290 1.523 10 0 ADAERP C[NH2+][C@H](CC(C)(C)C[NH3+])C1CCC1 259106894 573485419 /nfs/dbraw/zinc/48/54/19/573485419.db2.gz APWCPXDTIXZFAY-SNVBAGLBSA-N 2 0 184.327 1.750 10 0 ADAERP C[NH+](C)CC[C@H]1CCC[C@H]1[NH3+] 86531060 573485505 /nfs/dbraw/zinc/48/55/05/573485505.db2.gz VPVAZLQDBNPSJN-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H](c1coc(C[NH3+])c1)[NH+]1CCCC1 257819624 573485522 /nfs/dbraw/zinc/48/55/22/573485522.db2.gz FNFPYOKBAHPBRP-SECBINFHSA-N 2 0 194.278 1.895 10 0 ADAERP [NH3+]C1CCC([C@@H]([NH3+])c2cc[nH]c2)CC1 259470875 573485579 /nfs/dbraw/zinc/48/55/79/573485579.db2.gz RTLBDPVXLBYNIN-BOBPJJCASA-N 2 0 193.294 1.532 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1CC[NH+]1CCCCC1 86530982 573485596 /nfs/dbraw/zinc/48/55/96/573485596.db2.gz CWUAXVVDOLSIPT-NWDGAFQWSA-N 2 0 196.338 1.990 10 0 ADAERP C[NH+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86531055 573485940 /nfs/dbraw/zinc/48/59/40/573485940.db2.gz VPVAZLQDBNPSJN-IUCAKERBSA-N 2 0 156.273 1.066 10 0 ADAERP C[C@H](C[NH3+])CC[NH+]1C[C@H]2CCC[C@@H]2C1 126316021 573485981 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JRAJDIITFFKJAG-ZJUUUORDSA-N 2 0 182.311 1.374 10 0 ADAERP Cc1ccc([C@@H]([NH3+])C(C)(C)C[NH3+])cc1 259470660 573486438 /nfs/dbraw/zinc/48/64/38/573486438.db2.gz RRGRBOQNHCSAFB-LLVKDONJSA-N 2 0 192.306 1.980 10 0 ADAERP CCC[N@@H+]1CC[C@@H]([NH2+]C)C(C)(C)C1 259106849 573486570 /nfs/dbraw/zinc/48/65/70/573486570.db2.gz AZKHYYRFAGYRDF-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CC[NH+](CC)[C@H](C)C[C@@H]1CC[NH2+]C1 257820163 573490807 /nfs/dbraw/zinc/49/08/07/573490807.db2.gz FMWXGPUOPVMCPG-MNOVXSKESA-N 2 0 184.327 1.716 10 0 ADAERP CCC[C@H]([C@H](C)[NH3+])[NH+](C)C 259469963 573490885 /nfs/dbraw/zinc/49/08/85/573490885.db2.gz KCDBOIXADGQREE-JGVFFNPUSA-N 2 0 144.262 1.064 10 0 ADAERP CC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 83417712 573490895 /nfs/dbraw/zinc/49/08/95/573490895.db2.gz LSFZHQTUSFOWAX-MNOVXSKESA-N 2 0 184.327 1.859 10 0 ADAERP C[C@@H]([NH3+])[C@@](C)(F)C1CC[NH+](C)CC1 257820047 573490930 /nfs/dbraw/zinc/49/09/30/573490930.db2.gz FOCPUHRMMRUODG-PSASIEDQSA-N 2 0 188.290 1.404 10 0 ADAERP C[NH2+]CCc1cccc2c1CC[NH2+]C2 258038758 573491161 /nfs/dbraw/zinc/49/11/61/573491161.db2.gz HTLSUDOINJMQRY-UHFFFAOYSA-N 2 0 190.290 1.094 10 0 ADAERP Cc1cc[nH+]c(N)c1/C=C/CC[NH3+] 86571011 573491279 /nfs/dbraw/zinc/49/12/79/573491279.db2.gz OCKMLHVQVPDZDF-DUXPYHPUSA-N 2 0 177.251 1.334 10 0 ADAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)CC1 83418763 573491358 /nfs/dbraw/zinc/49/13/58/573491358.db2.gz PUHOMIOZNOKUEK-MXWKQRLJSA-N 2 0 182.311 1.469 10 0 ADAERP C[NH2+][C@@H](CC[C@H](C)[NH3+])CC(C)C 259475041 573491418 /nfs/dbraw/zinc/49/14/18/573491418.db2.gz QIZHKTZBXTUFIR-UWVGGRQHSA-N 2 0 172.316 1.748 10 0 ADAERP C[NH+](C)[C@H]1CCC[C@H]([NH3+])CC1 107301463 573491425 /nfs/dbraw/zinc/49/14/25/573491425.db2.gz PWSDXXPMHZAGDI-IUCAKERBSA-N 2 0 156.273 1.208 10 0 ADAERP C[NH2+]C(C)(C)[C@@H](N)c1cccs1 259472448 573491436 /nfs/dbraw/zinc/49/14/36/573491436.db2.gz RUCYTHXSSHFDNL-QMMMGPOBSA-N 2 0 184.308 1.746 10 0 ADAERP C[NH2+]C(C)(C)[C@H](N)c1cccs1 259472445 573491474 /nfs/dbraw/zinc/49/14/74/573491474.db2.gz RUCYTHXSSHFDNL-MRVPVSSYSA-N 2 0 184.308 1.746 10 0 ADAERP CC[N@@H+]1CCC[C@H](CC[NH3+])CC1 83423984 573493933 /nfs/dbraw/zinc/49/39/33/573493933.db2.gz OTLOKAIHQCQEGO-SNVBAGLBSA-N 2 0 170.300 1.457 10 0 ADAERP C[NH+](C)[C@@H](C1CCCC1)C1CC([NH3+])C1 259470171 573493943 /nfs/dbraw/zinc/49/39/43/573493943.db2.gz KDUPJXUYSFOATQ-MCIGGMRASA-N 2 0 196.338 1.844 10 0 ADAERP CCCC[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 83426141 573493952 /nfs/dbraw/zinc/49/39/52/573493952.db2.gz FNGAUDKYJXEOIL-VHSXEESVSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)C[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258693917 573494043 /nfs/dbraw/zinc/49/40/43/573494043.db2.gz JHQQENPJRRLDOC-VIFPVBQESA-N 2 0 170.300 1.373 10 0 ADAERP C[C@@H](CCCC[NH3+])[N@@H+]1CC[C@H](F)C1 689812658 573494056 /nfs/dbraw/zinc/49/40/56/573494056.db2.gz BBYABAHTQSMIJP-UWVGGRQHSA-N 2 0 188.290 1.548 10 0 ADAERP CCCC[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC 83426094 573494109 /nfs/dbraw/zinc/49/41/09/573494109.db2.gz UXSOEVQVGBKWBA-GHMZBOCLSA-N 2 0 184.327 1.988 10 0 ADAERP CCCC(C)(C)C[NH2+]C[C@H](C)C[NH3+] 258688177 573494114 /nfs/dbraw/zinc/49/41/14/573494114.db2.gz FOYIJDLCKJPQRV-SNVBAGLBSA-N 2 0 186.343 1.997 10 0 ADAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC(F)F 308394189 573494127 /nfs/dbraw/zinc/49/41/27/573494127.db2.gz CHFQUKVSYGFVQD-JGVFFNPUSA-N 2 0 192.253 1.359 10 0 ADAERP CC[N@@H+]1CC[C@@H](C/C=C\CC[NH2+]C)C1 258043908 573494155 /nfs/dbraw/zinc/49/41/55/573494155.db2.gz CRWQLSVBAXSFBZ-QMAVJUDZSA-N 2 0 196.338 1.884 10 0 ADAERP C[N@H+](CCC1CC1)CCC1C[NH2+]C1 308394175 573494229 /nfs/dbraw/zinc/49/42/29/573494229.db2.gz CFBUZQYPHPIDQZ-UHFFFAOYSA-N 2 0 182.311 1.328 10 0 ADAERP CC(C)(C[NH3+])C[NH2+]Cc1cccnc1 258690931 573494371 /nfs/dbraw/zinc/49/43/71/573494371.db2.gz JELZYBRAIVTVDK-UHFFFAOYSA-N 2 0 193.294 1.156 10 0 ADAERP C[N@H+](CCC1CC1)[C@H]1CC[C@H]([NH3+])C1 308393671 573494372 /nfs/dbraw/zinc/49/43/72/573494372.db2.gz BZGAXTNQBAZVLL-QWRGUYRKSA-N 2 0 182.311 1.598 10 0 ADAERP C[NH2+]CCC1C[C@@H]2CC[C@H](C1)[NH2+]2 86573180 573494374 /nfs/dbraw/zinc/49/43/74/573494374.db2.gz TWEUQXGNNZAJCC-PBINXNQUSA-N 2 0 168.284 1.127 10 0 ADAERP C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)C[NH3+] 259472956 573494403 /nfs/dbraw/zinc/49/44/03/573494403.db2.gz PHLVPSFLZJNKRD-VIFPVBQESA-N 2 0 181.283 1.260 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CCc1cccs1 258690065 573494425 /nfs/dbraw/zinc/49/44/25/573494425.db2.gz FSYNFTMFQWQOMV-QMMMGPOBSA-N 2 0 184.308 1.227 10 0 ADAERP CCCC[C@H]1C[C@H]([NH3+])CC[N@@H+]1C 83426140 573494447 /nfs/dbraw/zinc/49/44/47/573494447.db2.gz FNGAUDKYJXEOIL-ZJUUUORDSA-N 2 0 170.300 1.598 10 0 ADAERP Cc1ccc(CC[NH2+]C[C@H](C)C[NH3+])o1 258694324 573494496 /nfs/dbraw/zinc/49/44/96/573494496.db2.gz GFDRZRHJJAMQTP-SECBINFHSA-N 2 0 196.294 1.315 10 0 ADAERP CC1(C)CC[N@@H+](C2CC2)CCC[NH2+]1 259472549 573494511 /nfs/dbraw/zinc/49/45/11/573494511.db2.gz QXRGAUGDCWQUJP-UHFFFAOYSA-N 2 0 182.311 1.613 10 0 ADAERP C[C@@H]([NH3+])c1ccc2c[nH+]cn2c1 107308571 573494521 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/nfs/dbraw/zinc/55/00/70/573550070.db2.gz UPNZUTCXCRSZMZ-GXSJLCMTSA-N 2 0 191.278 1.081 10 0 ADAERP CCC1(CC)C[NH+](C2CC([NH3+])C2)C1 86662779 573550086 /nfs/dbraw/zinc/55/00/86/573550086.db2.gz VJQIKIZBZGZEED-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP CCC1C[NH+](CC2CC[NH2+]CC2)C1 86663268 573550162 /nfs/dbraw/zinc/55/01/62/573550162.db2.gz UDTPDIYURJGQKP-UHFFFAOYSA-N 2 0 182.311 1.328 10 0 ADAERP [NH3+]CCC[NH+]1CC2(CCCC2)C1 86663365 573554717 /nfs/dbraw/zinc/55/47/17/573554717.db2.gz JRWHYOOBGIJHKP-UHFFFAOYSA-N 2 0 168.284 1.211 10 0 ADAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C3CC3)C[C@H]2C1 257830241 573554762 /nfs/dbraw/zinc/55/47/62/573554762.db2.gz JEMGNDMBLQYAGP-OPRDCNLKSA-N 2 0 180.295 1.208 10 0 ADAERP CC[NH2+]C[C@@H]([NH2+]C)C1CCCC1 259122834 573554777 /nfs/dbraw/zinc/55/47/77/573554777.db2.gz BHHMEDDFWOVTJZ-SNVBAGLBSA-N 2 0 170.300 1.374 10 0 ADAERP C[C@@H](CC[NH3+])[C@H]([NH3+])c1cccc(F)c1 259120344 573554838 /nfs/dbraw/zinc/55/48/38/573554838.db2.gz BZPXIHWQWKBNRD-KWQFWETISA-N 2 0 196.269 1.810 10 0 ADAERP CC[NH2+]C[C@H]([NH2+]C)C1CCCC1 259122832 573554871 /nfs/dbraw/zinc/55/48/71/573554871.db2.gz BHHMEDDFWOVTJZ-JTQLQIEISA-N 2 0 170.300 1.374 10 0 ADAERP CC(C)C1C[NH+](C2CCC([NH3+])CC2)C1 86663463 573555002 /nfs/dbraw/zinc/55/50/02/573555002.db2.gz ALCGKEPYMQFFKT-UHFFFAOYSA-N 2 0 196.338 1.844 10 0 ADAERP C[NH2+][C@@H](C[C@@H](C)C[NH3+])c1cc[nH]c1 259122801 573555013 /nfs/dbraw/zinc/55/50/13/573555013.db2.gz BHEMVUHSLGKYTA-SCZZXKLOSA-N 2 0 181.283 1.260 10 0 ADAERP C[N@@H+]1CCC[C@@]2(CCC[NH2+]CC2)CC1 82385547 573555053 /nfs/dbraw/zinc/55/50/53/573555053.db2.gz PNSPQZWXJKPROP-GFCCVEGCSA-N 2 0 196.338 1.862 10 0 ADAERP C[NH2+][C@@H](c1ccc(C)cc1)C1C[NH2+]C1 259120827 573555072 /nfs/dbraw/zinc/55/50/72/573555072.db2.gz BFVNJMLESKLJNG-LBPRGKRZSA-N 2 0 190.290 1.475 10 0 ADAERP [NH3+]C1CC([NH+]2CCCCCC2)C1 86662788 573555146 /nfs/dbraw/zinc/55/51/46/573555146.db2.gz DCCUFPRVCKMRMK-UHFFFAOYSA-N 2 0 168.284 1.352 10 0 ADAERP [NH3+]C1CC([NH+]2CC3(CCCCC3)C2)C1 86662784 573555167 /nfs/dbraw/zinc/55/51/67/573555167.db2.gz TYGFWLVACQXTDY-UHFFFAOYSA-N 2 0 194.322 1.742 10 0 ADAERP CC(C)C1C[NH+](C2CC[NH2+]CC2)C1 86662941 573555234 /nfs/dbraw/zinc/55/52/34/573555234.db2.gz NKIPSYAJDMTOMZ-UHFFFAOYSA-N 2 0 182.311 1.326 10 0 ADAERP [NH3+]CCC[C@H]([NH3+])c1cccs1 259122396 573555289 /nfs/dbraw/zinc/55/52/89/573555289.db2.gz CBVVJYISFFXKFQ-ZETCQYMHSA-N 2 0 170.281 1.487 10 0 ADAERP C[C@H]([C@H]1CCC[NH2+]C1)[NH+]1CC(C)(C)C1 86663358 573555328 /nfs/dbraw/zinc/55/53/28/573555328.db2.gz QKBIDBYFZIFWGL-MNOVXSKESA-N 2 0 196.338 1.716 10 0 ADAERP CC1C[NH+]([C@@H](C)[C@@H]2CCC[NH2+]C2)C1 86663293 573555362 /nfs/dbraw/zinc/55/53/62/573555362.db2.gz VOXROWDEBZHVSX-WDEREUQCSA-N 2 0 182.311 1.326 10 0 ADAERP C[C@H]([C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 86663284 573555406 /nfs/dbraw/zinc/55/54/06/573555406.db2.gz BWZARMZAICLBNR-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[C@H]1CC[N@@H+]1Cc1ccccc1C[NH3+] 86678032 573560043 /nfs/dbraw/zinc/56/00/43/573560043.db2.gz AWSFZFUSAQGYLK-JTQLQIEISA-N 2 0 190.290 1.740 10 0 ADAERP CC1C[NH+](CC[C@@H]2CCC[NH2+]C2)C1 86678703 573560065 /nfs/dbraw/zinc/56/00/65/573560065.db2.gz VMXYYTGTSVQHEV-NSHDSACASA-N 2 0 182.311 1.328 10 0 ADAERP [NH3+]C[C@H]1CCC[C@@H]1[NH+]1CC2(CC2)C1 86679897 573560073 /nfs/dbraw/zinc/56/00/73/573560073.db2.gz GNWKVMGORKNZIF-ZJUUUORDSA-N 2 0 180.295 1.210 10 0 ADAERP CCC1C[NH+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 86678525 573560101 /nfs/dbraw/zinc/56/01/01/573560101.db2.gz IFYMUEGCOZRFSQ-NWDGAFQWSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+][C@H](C[C@@H]1CCCC[NH2+]1)C(C)C 259614281 573560166 /nfs/dbraw/zinc/56/01/66/573560166.db2.gz YOVMUSGJNPJNNB-WDEREUQCSA-N 2 0 184.327 1.763 10 0 ADAERP CC(C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 86678573 573560191 /nfs/dbraw/zinc/56/01/91/573560191.db2.gz AAFRDQFVOVQECU-VHSXEESVSA-N 2 0 170.300 1.644 10 0 ADAERP C1C[C@H](CC[NH+]2CC3(CC3)C2)C[NH2+]1 86678791 573560216 /nfs/dbraw/zinc/56/02/16/573560216.db2.gz ZKEYAFQCSFVFNK-SNVBAGLBSA-N 2 0 180.295 1.082 10 0 ADAERP 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/nfs/dbraw/zinc/56/06/23/573560623.db2.gz UCWUQXUYKCDNBV-QWRGUYRKSA-N 2 0 182.311 1.456 10 0 ADAERP CC1C[NH+]([C@H]2CCCCC[C@H]2[NH3+])C1 86678536 573560685 /nfs/dbraw/zinc/56/06/85/573560685.db2.gz IRKOODKTQBKQKG-MNOVXSKESA-N 2 0 182.311 1.598 10 0 ADAERP CC1(C)C[NH+]([C@H]2CCCC[C@H]2C[NH3+])C1 86680006 573565435 /nfs/dbraw/zinc/56/54/35/573565435.db2.gz DGNDKEFITDDQOZ-QWRGUYRKSA-N 2 0 196.338 1.846 10 0 ADAERP CCC1C[NH+]([C@@H]2CCCC[C@H]2C[NH3+])C1 86679928 573565465 /nfs/dbraw/zinc/56/54/65/573565465.db2.gz SUQJIBPWEFQNAA-NWDGAFQWSA-N 2 0 196.338 1.846 10 0 ADAERP CC[NH2+]C1CCC([NH+]2CC(C)C2)CC1 86681011 573565498 /nfs/dbraw/zinc/56/54/98/573565498.db2.gz JELWRZLBMABWBB-UHFFFAOYSA-N 2 0 196.338 1.859 10 0 ADAERP C[C@@H](CC[NH3+])[NH+]1CC2(CCC2)C1 86681959 573565511 /nfs/dbraw/zinc/56/55/11/573565511.db2.gz PVSKBBNCVWABBK-VIFPVBQESA-N 2 0 168.284 1.210 10 0 ADAERP CCC1C[NH+]([C@H](C)CC[NH3+])C1 86681925 573565532 /nfs/dbraw/zinc/56/55/32/573565532.db2.gz AVFHNSKYCAKLDC-MRVPVSSYSA-N 2 0 156.273 1.066 10 0 ADAERP CCC1C[NH+]([C@@H](C)CC[NH3+])C1 86681923 573565605 /nfs/dbraw/zinc/56/56/05/573565605.db2.gz AVFHNSKYCAKLDC-QMMMGPOBSA-N 2 0 156.273 1.066 10 0 ADAERP CC[N@@H+]1CC[C@H](C[C@@]2(C)[NH2+]CCO2)C1 258781091 573565628 /nfs/dbraw/zinc/56/56/28/573565628.db2.gz XEGRCQPMNXFYRJ-MNOVXSKESA-N 2 0 198.310 1.054 10 0 ADAERP C[NH2+]C1CCC([N@@H+]2CC[C@@H]2C)CC1 86680524 573565703 /nfs/dbraw/zinc/56/57/03/573565703.db2.gz IPGPNMDVMASQNL-WHXUTIOJSA-N 2 0 182.311 1.611 10 0 ADAERP [NH3+]CC[C@H]([NH3+])c1coc2ccccc12 259511443 573565718 /nfs/dbraw/zinc/56/57/18/573565718.db2.gz VDIJZJYQMKEDPE-JTQLQIEISA-N 2 0 190.246 1.781 10 0 ADAERP C[C@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238432215 573565744 /nfs/dbraw/zinc/56/57/44/573565744.db2.gz PTCGYHQIMQCUOG-KXGXSXBTSA-N 2 0 194.322 1.739 10 0 ADAERP CCC[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C 259512127 573565819 /nfs/dbraw/zinc/56/58/19/573565819.db2.gz SVIVNWRIVVBPEA-UWVGGRQHSA-N 2 0 170.300 1.517 10 0 ADAERP 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CC[C@@H](CC[NH3+])[NH2+]C(C)C 86682254 573570312 /nfs/dbraw/zinc/57/03/12/573570312.db2.gz DXTFYRZJUZHKQO-QMMMGPOBSA-N 2 0 144.262 1.112 10 0 ADAERP CCC1C[NH+]([C@H]2CCCC[C@@H]2C[NH3+])C1 86679927 573570361 /nfs/dbraw/zinc/57/03/61/573570361.db2.gz SUQJIBPWEFQNAA-NEPJUHHUSA-N 2 0 196.338 1.846 10 0 ADAERP CC(C)(C)[N@@H+]1C[C@@H](C[NH3+])CC1(C)C 259515778 573570363 /nfs/dbraw/zinc/57/03/63/573570363.db2.gz UWIPDRXQMSKLTP-SECBINFHSA-N 2 0 184.327 1.844 10 0 ADAERP [NH3+][C@H](C[C@@H]1CC[NH2+]C1)c1ccncc1 259513228 573573330 /nfs/dbraw/zinc/57/33/30/573573330.db2.gz VHMSTGMZGMTELP-GXSJLCMTSA-N 2 0 191.278 1.081 10 0 ADAERP C[C@H]1CCC[N@@H+]1CCC(C)(C)C[NH3+] 83637011 573573342 /nfs/dbraw/zinc/57/33/42/573573342.db2.gz DKKQVZBRXISNNM-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+][C@@H](C1CCCC1)[C@H]1CCCC[NH2+]1 259513202 573573375 /nfs/dbraw/zinc/57/33/75/573573375.db2.gz VGRDMQASZJHARB-MNOVXSKESA-N 2 0 182.311 1.646 10 0 ADAERP C[NH2+]Cc1c[nH]c2ccc(C[NH3+])cc12 258064750 573573522 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BSXHOFJPNAIJSP-LPEHRKFASA-N 2 0 168.284 1.208 10 0 ADAERP CC(C)(C[NH2+]CCC[NH3+])c1ccc[nH]1 258794620 573577054 /nfs/dbraw/zinc/57/70/54/573577054.db2.gz QNIKPQYUPBVUQS-UHFFFAOYSA-N 2 0 195.310 1.231 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]2C1 107404545 573577215 /nfs/dbraw/zinc/57/72/15/573577215.db2.gz XEUOZPNVGNZKFM-VHSXEESVSA-N 2 0 168.284 1.223 10 0 ADAERP CC[NH+]1CCC(C2([NH3+])CC2)CC1 107404401 573577308 /nfs/dbraw/zinc/57/73/08/573577308.db2.gz CDOPHNUKHXUCIW-UHFFFAOYSA-N 2 0 168.284 1.210 10 0 ADAERP C[N@@H+]1CCC[C@@H]([C@@](C)(F)C[NH3+])C1 257833001 573577445 /nfs/dbraw/zinc/57/74/45/573577445.db2.gz KGTBXLFNIIEYPT-BDAKNGLRSA-N 2 0 174.263 1.015 10 0 ADAERP C[C@H]([NH3+])c1ccc2c(c1)C[C@H]([NH3+])CC2 238445268 573577448 /nfs/dbraw/zinc/57/74/48/573577448.db2.gz NHHCLRZSXZHWBW-QPUJVOFHSA-N 2 0 190.290 1.522 10 0 ADAERP C[C@H](C[NH3+])[C@H]1CC[N@@H+]2CCC[C@H]12 107404455 573577478 /nfs/dbraw/zinc/57/74/78/573577478.db2.gz NTVMDKXBNWAUPA-OPRDCNLKSA-N 2 0 168.284 1.066 10 0 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196.338 1.857 10 0 ADAERP C[NH2+][C@@H](C)CC1=CC[N@H+](C)CC1 258063984 573590919 /nfs/dbraw/zinc/59/09/19/573590919.db2.gz LYVTWYSSYSNUBD-VIFPVBQESA-N 2 0 168.284 1.246 10 0 ADAERP C[N@@H+]1CC[C@@H](C[C@H]2[NH2+]CC(C)(C)O2)C1 258808923 573592249 /nfs/dbraw/zinc/59/22/49/573592249.db2.gz YGXMYTGIKMBMEY-UWVGGRQHSA-N 2 0 198.310 1.053 10 0 ADAERP C[C@H](C[NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83699954 573592266 /nfs/dbraw/zinc/59/22/66/573592266.db2.gz JNRUWLOFZDMSKW-UTUOFQBUSA-N 2 0 196.338 1.846 10 0 ADAERP CC1(C)CO[C@](C)([C@H]2CCC[NH2+]C2)[NH2+]1 258813508 573592269 /nfs/dbraw/zinc/59/22/69/573592269.db2.gz YLPSLIJNNVCRKB-GXSJLCMTSA-N 2 0 198.310 1.101 10 0 ADAERP C[NH2+][C@@H](CC(C)C)C1(C[NH3+])CC1 259521627 573592270 /nfs/dbraw/zinc/59/22/70/573592270.db2.gz UDRMLDAJUVLETH-VIFPVBQESA-N 2 0 170.300 1.359 10 0 ADAERP [NH3+]CCC1(C[N@@H+]2CC[C@H](F)C2)CC1 689908681 573592385 /nfs/dbraw/zinc/59/23/85/573592385.db2.gz JRBRCWNRVUUYGT-VIFPVBQESA-N 2 0 186.274 1.159 10 0 ADAERP 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CFACAEKZBXMZQX-MCIGGMRASA-N 2 0 190.290 1.732 10 0 ADAERP [NH3+]CCC[N@@H+]1CCC[C@@H](F)CC1 258066926 573602545 /nfs/dbraw/zinc/60/25/45/573602545.db2.gz LBBSQVKOYFHOQG-SECBINFHSA-N 2 0 174.263 1.159 10 0 ADAERP C1CC([C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 257836812 573602633 /nfs/dbraw/zinc/60/26/33/573602633.db2.gz AORRENCRGRCVAE-LLVKDONJSA-N 2 0 194.322 1.376 10 0 ADAERP C[NH2+][C@H]1CC[N@@H+](C2CC2)CC1(C)C 259124924 573606899 /nfs/dbraw/zinc/60/68/99/573606899.db2.gz CLNBLKGNYQZUNK-JTQLQIEISA-N 2 0 182.311 1.469 10 0 ADAERP [NH3+][C@H]1CC[C@](F)(C[NH2+]C2CCC2)C1 257837067 573606934 /nfs/dbraw/zinc/60/69/34/573606934.db2.gz LGMASEJUSACHOY-WCBMZHEXSA-N 2 0 186.274 1.348 10 0 ADAERP C[C@@H]1[C@H]2CCC[C@@H]2[NH2+]CC[N@@H+]1C 238447546 573607159 /nfs/dbraw/zinc/60/71/59/573607159.db2.gz UKVVIKJZHSFKPP-BBBLOLIVSA-N 2 0 168.284 1.079 10 0 ADAERP [NH3+][C@@H]1CC[C@@](F)(C[NH2+]C2CCC2)C1 257837066 573607349 /nfs/dbraw/zinc/60/73/49/573607349.db2.gz LGMASEJUSACHOY-SCZZXKLOSA-N 2 0 186.274 1.348 10 0 ADAERP C[C@H]([NH3+])CC[C@@H]([NH3+])c1ccc(F)cc1 259529013 573607389 /nfs/dbraw/zinc/60/73/89/573607389.db2.gz WGXPRESHMFMNAD-GZMMTYOYSA-N 2 0 196.269 1.953 10 0 ADAERP C[NH2+]CC(C)(C)[NH2+]C(C)(C)C 75543890 573609884 /nfs/dbraw/zinc/60/98/84/573609884.db2.gz HODUFERJZSRBHU-UHFFFAOYSA-N 2 0 158.289 1.373 10 0 ADAERP Cc1ccc([C@H]([NH3+])C[C@@H](C)[NH3+])cc1 259130038 573609922 /nfs/dbraw/zinc/60/99/22/573609922.db2.gz CIIPADPZMQIJJW-MWLCHTKSSA-N 2 0 178.279 1.732 10 0 ADAERP CCC[C@H]([NH3+])C[C@@H]1CCC[NH2+]C1 259130218 573610088 /nfs/dbraw/zinc/61/00/88/573610088.db2.gz CKIKLHCILLNKPF-UWVGGRQHSA-N 2 0 170.300 1.504 10 0 ADAERP CC[N@@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259141211 573610163 /nfs/dbraw/zinc/61/01/63/573610163.db2.gz DQXWPNPNULVKJI-VIFPVBQESA-N 2 0 170.300 1.313 10 0 ADAERP CC1(C)CC[C@@H]([NH3+])C(C)(C)[NH2+]1 142760229 573610201 /nfs/dbraw/zinc/61/02/01/573610201.db2.gz YGRYZPZBLXHLEH-SSDOTTSWSA-N 2 0 156.273 1.254 10 0 ADAERP CCC[C@H]([NH3+])[C@@H]1CCCC[NH2+]1 259528982 573611782 /nfs/dbraw/zinc/61/17/82/573611782.db2.gz WGOITRUPFSUCJD-IUCAKERBSA-N 2 0 156.273 1.256 10 0 ADAERP CCC[C@@H]([NH3+])C[C@H]1CCC[NH2+]C1 259130215 573611817 /nfs/dbraw/zinc/61/18/17/573611817.db2.gz CKIKLHCILLNKPF-NXEZZACHSA-N 2 0 170.300 1.504 10 0 ADAERP Cc1ccc([C@H]([NH3+])C[C@H](C)[NH3+])cc1 259130034 573611162 /nfs/dbraw/zinc/61/11/62/573611162.db2.gz CIIPADPZMQIJJW-GXSJLCMTSA-N 2 0 178.279 1.732 10 0 ADAERP C[NH2+][C@H](CCC[NH3+])c1ccccc1 259127310 573611166 /nfs/dbraw/zinc/61/11/66/573611166.db2.gz BLHPBLCAFRHKLK-LLVKDONJSA-N 2 0 178.279 1.686 10 0 ADAERP CCn1cc[nH+]c1NCCC[NH+](C)C 50608362 573611268 /nfs/dbraw/zinc/61/12/68/573611268.db2.gz MHWVAMGFBPWVSK-UHFFFAOYSA-N 2 0 196.298 1.267 10 0 ADAERP CCC[C@H]([NH3+])[C@H]1CCCC[NH2+]1 259528981 573611336 /nfs/dbraw/zinc/61/13/36/573611336.db2.gz WGOITRUPFSUCJD-DTWKUNHWSA-N 2 0 156.273 1.256 10 0 ADAERP CCn1cc[nH+]c1NCCCC[NH3+] 50608076 573611483 /nfs/dbraw/zinc/61/14/83/573611483.db2.gz QCHMHSXDKDFTTC-UHFFFAOYSA-N 2 0 182.271 1.054 10 0 ADAERP C[NH+]1CCC([C@@H]2C[C@]23CC[NH2+]C3)CC1 258068941 573611553 /nfs/dbraw/zinc/61/15/53/573611553.db2.gz LEYUSCTZGBXFOU-RYUDHWBXSA-N 2 0 194.322 1.328 10 0 ADAERP C[N@@H+]1CCC[C@H](C23C[NH2+]C(C2)C3)C1 259528105 573611562 /nfs/dbraw/zinc/61/15/62/573611562.db2.gz AXNYWEAFAUMVAA-WHXUTIOJSA-N 2 0 180.295 1.080 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])c1ccccc1 259127311 573611619 /nfs/dbraw/zinc/61/16/19/573611619.db2.gz BLHPBLCAFRHKLK-NSHDSACASA-N 2 0 178.279 1.686 10 0 ADAERP CCC[C@H]([NH2+]C)C1(C[NH3+])CCC1 259127416 573611633 /nfs/dbraw/zinc/61/16/33/573611633.db2.gz BMRSHUQTUYDFSB-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP C[N@@H+]1CCC[C@H](CC2CC([NH3+])C2)C1 259130596 573611658 /nfs/dbraw/zinc/61/16/58/573611658.db2.gz MMLTTYPWZAAWEJ-KPPDAEKUSA-N 2 0 182.311 1.456 10 0 ADAERP COc1ccc([C@@H](C)[NH3+])cc1C[NH3+] 257834138 573622396 /nfs/dbraw/zinc/62/23/96/573622396.db2.gz KODDTIFRXOTQKI-SSDOTTSWSA-N 2 0 180.251 1.174 10 0 ADAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1[C@H]2CCC[C@H]21 308659453 573622611 /nfs/dbraw/zinc/62/26/11/573622611.db2.gz PLDSEVKMIBWPLV-NNYUYHANSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC(C1CC1)C1CC1 308643939 573622677 /nfs/dbraw/zinc/62/26/77/573622677.db2.gz FVIGBCJILFWPOY-RKDXNWHRSA-N 2 0 196.338 1.748 10 0 ADAERP CC[N@H+]1CC=C(CC[NH2+]C)CC1 258075493 573622736 /nfs/dbraw/zinc/62/27/36/573622736.db2.gz MOMQYASFHOEKFC-UHFFFAOYSA-N 2 0 168.284 1.248 10 0 ADAERP C[C@H](C[NH2+][C@H](C)CC[NH+](C)C)C1CC1 308643993 573622804 /nfs/dbraw/zinc/62/28/04/573622804.db2.gz FYKNFJUNJPPGFK-GHMZBOCLSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+]CC1([C@@H]([NH3+])C2CCCC2)CC1 259532303 573622903 /nfs/dbraw/zinc/62/29/03/573622903.db2.gz SWPFPWISPAPBOM-JTQLQIEISA-N 2 0 182.311 1.504 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CC[C@@H](C)[NH3+])o1 259532701 573628993 /nfs/dbraw/zinc/62/89/93/573628993.db2.gz WLXFXLIUQXZNRA-APPZFPTMSA-N 2 0 182.267 1.715 10 0 ADAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc[nH]1 308659975 573629084 /nfs/dbraw/zinc/62/90/84/573629084.db2.gz PFQCXNTYUGPNII-VIFPVBQESA-N 2 0 196.298 1.017 10 0 ADAERP CC[C@](C)([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86810715 573629173 /nfs/dbraw/zinc/62/91/73/573629173.db2.gz NSVNRHBLOVIOFK-AXFHLTTASA-N 2 0 184.327 1.702 10 0 ADAERP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc[nH]1 308659973 573629226 /nfs/dbraw/zinc/62/92/26/573629226.db2.gz PFQCXNTYUGPNII-SECBINFHSA-N 2 0 196.298 1.017 10 0 ADAERP CC[C@](C)([NH3+])C[N@H+](C)C(C)C 86808841 573629375 /nfs/dbraw/zinc/62/93/75/573629375.db2.gz UFFQOPJZCAXJNU-VIFPVBQESA-N 2 0 158.289 1.454 10 0 ADAERP CC[C@](C)([NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 86810722 573629405 /nfs/dbraw/zinc/62/94/05/573629405.db2.gz NSVNRHBLOVIOFK-MXWKQRLJSA-N 2 0 184.327 1.702 10 0 ADAERP Cc1ccc([C@@H]([NH3+])CC[C@H](C)[NH3+])o1 259532704 573629573 /nfs/dbraw/zinc/62/95/73/573629573.db2.gz WLXFXLIUQXZNRA-CBAPKCEASA-N 2 0 182.267 1.715 10 0 ADAERP CCc1ccc([C@H]([NH3+])C[C@H](C)[NH3+])cc1 259144256 573632149 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LBSKDTWJFIKWEH-GHMZBOCLSA-N 2 0 196.338 1.572 10 0 ADAERP CCCN(C1CC1)[C@@H](C)C(N)=[NH2+] 43528502 573835554 /nfs/dbraw/zinc/83/55/54/573835554.db2.gz IXLZVQACQZZODB-ZETCQYMHSA-N 2 0 169.272 1.185 10 0 ADAERP Cc1ccccc1[C@H]([NH3+])C(C)(C)C[NH3+] 259575286 573835605 /nfs/dbraw/zinc/83/56/05/573835605.db2.gz YUIFUXMEUZJWKP-NSHDSACASA-N 2 0 192.306 1.980 10 0 ADAERP [NH3+][C@@H]1CCCCC[C@@H]1C[NH2+]C1CC1 87222532 573835621 /nfs/dbraw/zinc/83/56/21/573835621.db2.gz LJDNTWLJWBZAJY-MWLCHTKSSA-N 2 0 182.311 1.646 10 0 ADAERP CC[C@H](C[NH3+])C[C@H]1CC[N@H+](C)C1 259573483 573835643 /nfs/dbraw/zinc/83/56/43/573835643.db2.gz YSEQBJLJQBWHJV-VHSXEESVSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@H](C[NH3+])C[C@@H]1CC[N@H+](C)C1 259573480 573835815 /nfs/dbraw/zinc/83/58/15/573835815.db2.gz YSEQBJLJQBWHJV-UWVGGRQHSA-N 2 0 170.300 1.313 10 0 ADAERP CC[C@H](C(N)=[NH2+])N(C)[C@@H](C)C(C)C 43541024 573835821 /nfs/dbraw/zinc/83/58/21/573835821.db2.gz GBVLBNNEBIJWCT-DTWKUNHWSA-N 2 0 185.315 1.677 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H]2C[C@@H]2C[NH2+]C2CC2)C1 308448946 573835864 /nfs/dbraw/zinc/83/58/64/573835864.db2.gz CBSXYPUVHZCQAO-HOSYDEDBSA-N 2 0 194.322 1.326 10 0 ADAERP CC(C)[NH2+]C[C@H]1CCCCC[C@H]1[NH3+] 87222516 573835916 /nfs/dbraw/zinc/83/59/16/573835916.db2.gz ISSRNNPYPZGUSP-GHMZBOCLSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)C1C[C@H]([NH3+])C[C@@H]([NH3+])C1 238140634 573835932 /nfs/dbraw/zinc/83/59/32/573835932.db2.gz CSMBXGUZRAESGI-IUCAKERBSA-N 2 0 170.300 1.487 10 0 ADAERP CC(C)[NH2+]C[C@@H]1CCCCC[C@@H]1[NH3+] 87222510 573836005 /nfs/dbraw/zinc/83/60/05/573836005.db2.gz ISSRNNPYPZGUSP-QWRGUYRKSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)OCn1ccnc1CC[NH3+] 308451374 573836017 /nfs/dbraw/zinc/83/60/17/573836017.db2.gz BNYWVNHRURZZSQ-UHFFFAOYSA-N 2 0 197.282 1.157 10 0 ADAERP CC(C)CC[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238155511 573837440 /nfs/dbraw/zinc/83/74/40/573837440.db2.gz FVLUXWAZKQGENK-ZSBIGDGJSA-N 2 0 196.338 1.987 10 0 ADAERP CC(C)([NH3+])C[NH2+]CCOC(C)(C)C 308762301 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CISFGVVDPMCQKW-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP C[N@@H+]1CC[C@H]([C@@H]2C[C@@H]2C[NH2+]C2CC2)C1 308448949 573838058 /nfs/dbraw/zinc/83/80/58/573838058.db2.gz CBSXYPUVHZCQAO-UMNHJUIQSA-N 2 0 194.322 1.326 10 0 ADAERP CC1CCC(C[NH3+])(C[NH+](C)C)CC1 84339828 573842406 /nfs/dbraw/zinc/84/24/06/573842406.db2.gz OIRSZUJBEMNALX-UHFFFAOYSA-N 2 0 184.327 1.703 10 0 ADAERP C[C@H]1CCC[C@](C[NH3+])(C[NH+](C)C)C1 84346149 573842448 /nfs/dbraw/zinc/84/24/48/573842448.db2.gz ZLRGFMTTXIRPHQ-QWRGUYRKSA-N 2 0 184.327 1.703 10 0 ADAERP CC(C)CC[N@@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 308449583 573842476 /nfs/dbraw/zinc/84/24/76/573842476.db2.gz ATMNKVGQKWYFEU-RYUDHWBXSA-N 2 0 198.354 1.949 10 0 ADAERP CSC[C@@H](C)[NH2+]C1CC[NH2+]CC1 127393148 573841806 /nfs/dbraw/zinc/84/18/06/573841806.db2.gz KPBAGQUSDOFWAR-MRVPVSSYSA-N 2 0 188.340 1.080 10 0 ADAERP CC(C)[N@@H+]1CC[C@H](C[NH3+])CC1(C)C 259207620 573841857 /nfs/dbraw/zinc/84/18/57/573841857.db2.gz CISFGVVDPMCQKW-JTQLQIEISA-N 2 0 184.327 1.844 10 0 ADAERP C[C@H](F)[C@@H](CC[NH3+])C1CC[NH2+]CC1 259623101 573842006 /nfs/dbraw/zinc/84/20/06/573842006.db2.gz FLGZHMPJOPYWFS-WCBMZHEXSA-N 2 0 188.290 1.309 10 0 ADAERP N[C@@H](c1cccs1)[C@@H]1CC[NH2+]C1 259575378 573842274 /nfs/dbraw/zinc/84/22/74/573842274.db2.gz YVTQVUHWIQSMMT-VXNVDRBHSA-N 2 0 182.292 1.357 10 0 ADAERP CC1(C)CC[N@@H+]([C@H]2CCC[C@@H]2C[NH3+])C1 87232798 573847194 /nfs/dbraw/zinc/84/71/94/573847194.db2.gz UNZMCFSMJWIORO-MNOVXSKESA-N 2 0 196.338 1.846 10 0 ADAERP C[NH2+][C@@H](CCC[NH3+])c1ccccn1 259209526 573847205 /nfs/dbraw/zinc/84/72/05/573847205.db2.gz FRPDNNAMHHKZAE-VIFPVBQESA-N 2 0 179.267 1.081 10 0 ADAERP CCC[C@](C)([NH3+])CN1CC[C@H](F)C1 689911418 573846498 /nfs/dbraw/zinc/84/64/98/573846498.db2.gz DNYCEXFYVNSUFJ-UWVGGRQHSA-N 2 0 188.290 1.548 10 0 ADAERP CCC[N@@H+]1CCC[NH2+]CC(C)(C)C1 259209828 573846506 /nfs/dbraw/zinc/84/65/06/573846506.db2.gz CMPZLPKAIOAEIF-UHFFFAOYSA-N 2 0 184.327 1.718 10 0 ADAERP C[C@@H]([NH3+])Cn1ccc2c[nH+]ccc21 258159136 573846703 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KWVBMOGQEDZOAL-SYBPUXJVSA-N 2 0 168.284 1.424 10 0 ADAERP CSC[C@H]([NH3+])C1CC[NH+](C)CC1 258158177 573847474 /nfs/dbraw/zinc/84/74/74/573847474.db2.gz NHTKOQCKWYHKEK-VIFPVBQESA-N 2 0 188.340 1.019 10 0 ADAERP C[NH2+]CC(C)(C)[NH2+]C1CCCCC1 258972301 573847486 /nfs/dbraw/zinc/84/74/86/573847486.db2.gz NTIRVWWQZAONDE-UHFFFAOYSA-N 2 0 184.327 1.907 10 0 ADAERP C[N@@H+]1[C@H]2CC[C@@H]1CC(CC[NH3+])C2 43559341 573847584 /nfs/dbraw/zinc/84/75/84/573847584.db2.gz KRXFGUQNHMULCW-PBINXNQUSA-N 2 0 168.284 1.208 10 0 ADAERP C[N@@H+]1CC[C@@H](C(F)(F)C(C)(C)[NH3+])C1 258970332 573847808 /nfs/dbraw/zinc/84/78/08/573847808.db2.gz ICOPXLDEFCZSQN-SSDOTTSWSA-N 2 0 192.253 1.311 10 0 ADAERP CC(C)CCC[NH2+]CC1(C[NH3+])CC1 258973247 573859257 /nfs/dbraw/zinc/85/92/57/573859257.db2.gz TVMRZHMDKOCFOB-UHFFFAOYSA-N 2 0 184.327 1.751 10 0 ADAERP CC[C@@H]1[C@H]([NH3+])CC[N@@H+]1C(C)C 84329188 573859268 /nfs/dbraw/zinc/85/92/68/573859268.db2.gz LNUGLJSSOUEVSV-RKDXNWHRSA-N 2 0 156.273 1.206 10 0 ADAERP 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ADAERP C[N@@H+]1CC[C@@H]([C@H]([NH3+])C(C)(C)C)C1 84331936 573862107 /nfs/dbraw/zinc/86/21/07/573862107.db2.gz GLVXZFRRRLCWLA-BDAKNGLRSA-N 2 0 170.300 1.312 10 0 ADAERP CCC[C@@H]([NH3+])[C@@H]1CC[N@H+](C)C1 84329091 573862200 /nfs/dbraw/zinc/86/22/00/573862200.db2.gz WDLQDJHKYYYNNM-RKDXNWHRSA-N 2 0 156.273 1.066 10 0 ADAERP CC[NH+](CC)CC[C@@H](C)[NH2+]C 43809115 573862224 /nfs/dbraw/zinc/86/22/24/573862224.db2.gz ZPLCFZQPOBHKCS-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CC(C)[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C 84331927 573862256 /nfs/dbraw/zinc/86/22/56/573862256.db2.gz PRQHZGYYYCIHAS-UWVGGRQHSA-N 2 0 170.300 1.454 10 0 ADAERP CC[C@@H]([NH3+])C1CCC([NH2+]C)CC1 259215889 573865038 /nfs/dbraw/zinc/86/50/38/573865038.db2.gz GRAFIIXLLDDCJW-UDNWOFFPSA-N 2 0 170.300 1.502 10 0 ADAERP CCC[NH2+][C@@H](C)CC[NH+]1CCCC1 43807821 573865047 /nfs/dbraw/zinc/86/50/47/573865047.db2.gz YPPSEDSCMHPTIV-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP C[NH2+][C@H](C)CC[N@@H+]1CCCC[C@@H]1C 43809959 573865091 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XDVJVKDKXRHCLB-VHSXEESVSA-N 2 0 184.327 1.844 10 0 ADAERP F[C@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 238549328 573865768 /nfs/dbraw/zinc/86/57/68/573865768.db2.gz WRADCKYROZYPME-VHSXEESVSA-N 2 0 186.274 1.076 10 0 ADAERP C[NH2+][C@H](C[C@@H](C)[NH3+])c1ccc(F)cc1 259214572 573865789 /nfs/dbraw/zinc/86/57/89/573865789.db2.gz DYBKXRQJMGKGOU-LDYMZIIASA-N 2 0 196.269 1.824 10 0 ADAERP C[C@H]([NH3+])c1ccccc1C[NH3+] 258519119 573865792 /nfs/dbraw/zinc/86/57/92/573865792.db2.gz MBMHGFVPJIAGDN-ZETCQYMHSA-N 2 0 150.225 1.165 10 0 ADAERP C[C@@H]([NH2+]CCc1ccco1)C1C[NH2+]C1 686239378 573865959 /nfs/dbraw/zinc/86/59/59/573865959.db2.gz VXXDQQSERVBCQS-SECBINFHSA-N 2 0 194.278 1.020 10 0 ADAERP CC[NH2+][C@H](C)CC[NH+](CC)CC 43809435 573865962 /nfs/dbraw/zinc/86/59/62/573865962.db2.gz JUEOXNHJONBKNT-SNVBAGLBSA-N 2 0 172.316 1.716 10 0 ADAERP C[C@H]([NH2+]CCc1ccco1)C1C[NH2+]C1 686239391 573866037 /nfs/dbraw/zinc/86/60/37/573866037.db2.gz VXXDQQSERVBCQS-VIFPVBQESA-N 2 0 194.278 1.020 10 0 ADAERP CC1(C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 84385581 573866352 /nfs/dbraw/zinc/86/63/52/573866352.db2.gz XCEHCAMPCNHJPE-VHSXEESVSA-N 2 0 182.311 1.374 10 0 ADAERP C[N@@H+]1CC[C@H]([C@H]([NH3+])c2cccs2)C1 84360054 573866489 /nfs/dbraw/zinc/86/64/89/573866489.db2.gz LWAGOAIBMVURJC-WPRPVWTQSA-N 2 0 196.319 1.700 10 0 ADAERP CC[C@H](C)[C@]1([NH3+])CCC[N@H+](C)CC1 84345422 573866527 /nfs/dbraw/zinc/86/65/27/573866527.db2.gz COCDNVBNCNLXOK-QWRGUYRKSA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](C)[C@@]1([NH3+])CCC[N@H+](C)CC1 84345427 573866747 /nfs/dbraw/zinc/86/67/47/573866747.db2.gz COCDNVBNCNLXOK-GHMZBOCLSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+][C@H](C[C@H](C)[NH3+])c1ccc(F)cc1 259214556 573866814 /nfs/dbraw/zinc/86/68/14/573866814.db2.gz DYBKXRQJMGKGOU-GZMMTYOYSA-N 2 0 196.269 1.824 10 0 ADAERP CC[NH2+][C@H](C)CC[NH+]1CCCC1 43807511 573866857 /nfs/dbraw/zinc/86/68/57/573866857.db2.gz HQNWMPJWEMZVOA-SNVBAGLBSA-N 2 0 170.300 1.470 10 0 ADAERP CC[C@H]([NH3+])C1CCC([NH2+]C)CC1 259215887 573866883 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JIYXREAEAUYRIY-UTLUCORTSA-N 2 0 170.300 1.487 10 0 ADAERP C[N@@H+]1CCC[C@@H](CCC2([NH3+])CCC2)C1 258168854 573876379 /nfs/dbraw/zinc/87/63/79/573876379.db2.gz XGWHJJUTTXLGGL-NSHDSACASA-N 2 0 196.338 1.990 10 0 ADAERP C[NH2+][C@@H](CN(C)CC1CC1)C(C)(C)C 43905111 573875740 /nfs/dbraw/zinc/87/57/40/573875740.db2.gz ZYEZRJKGRNGMQC-NSHDSACASA-N 2 0 198.354 1.962 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CCCCC1CC1 716311661 573875757 /nfs/dbraw/zinc/87/57/57/573875757.db2.gz AIJIECMSNSUEML-VIFPVBQESA-N 2 0 170.300 1.504 10 0 ADAERP [NH3+]C[C@H]1CCC[NH2+][C@H]1c1ccncc1 238555996 573876229 /nfs/dbraw/zinc/87/62/29/573876229.db2.gz DNZZSEZTXNDFSQ-MNOVXSKESA-N 2 0 191.278 1.081 10 0 ADAERP [NH3+]CC[C@@H]1CCC[C@H]1CC[NH3+] 238551580 573876274 /nfs/dbraw/zinc/87/62/74/573876274.db2.gz DSTQWJUEWBZEKX-IUCAKERBSA-N 2 0 156.273 1.100 10 0 ADAERP Cc1nc(N)ccc1[C@H]1CCC[C@H]1[NH3+] 238551504 573878095 /nfs/dbraw/zinc/87/80/95/573878095.db2.gz UBDSYSPHFDMAEF-NXEZZACHSA-N 2 0 191.278 1.567 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H](C)C[C@@H]1C 222765184 573878105 /nfs/dbraw/zinc/87/81/05/573878105.db2.gz CVEYMDJPOTUGKU-BJDJZHNGSA-N 2 0 196.338 1.715 10 0 ADAERP C[C@@H]([C@H](C)C[NH3+])[NH+]1CCCCC1 80089130 573878213 /nfs/dbraw/zinc/87/82/13/573878213.db2.gz AVDMXECPHHHJNQ-ZJUUUORDSA-N 2 0 170.300 1.456 10 0 ADAERP CC[C@H]([NH3+])c1cccc(C[NH3+])c1 259218533 573878279 /nfs/dbraw/zinc/87/82/79/573878279.db2.gz GTHPMCDQIDVALX-JTQLQIEISA-N 2 0 164.252 1.555 10 0 ADAERP c1c[nH]c(C[NH2+]CC2CC[NH2+]CC2)c1 258981365 573878291 /nfs/dbraw/zinc/87/82/91/573878291.db2.gz LESJNTBZIITBEP-UHFFFAOYSA-N 2 0 193.294 1.104 10 0 ADAERP [NH3+][C@H](C1CCCCC1)C1CC[NH2+]CC1 259218446 573878308 /nfs/dbraw/zinc/87/83/08/573878308.db2.gz GSBSRPDXIKJHFA-GFCCVEGCSA-N 2 0 196.338 1.894 10 0 ADAERP Cc1nc(N)ccc1[C@H]1CC[NH2+]C1 238551529 573878329 /nfs/dbraw/zinc/87/83/29/573878329.db2.gz AGCHBEVACKOORO-QMMMGPOBSA-N 2 0 177.251 1.049 10 0 ADAERP C[NH2+]C[C@]1([C@H]2CC[N@H+](C)C2)CC1(C)C 258982152 573878350 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0 170.300 1.505 10 0 ADAERP [NH3+]Cc1ccc(C2=CC[NH2+]C2)cc1 257893657 573884244 /nfs/dbraw/zinc/88/42/44/573884244.db2.gz NVRYPEKPBIXFQO-UHFFFAOYSA-N 2 0 174.247 1.132 10 0 ADAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1cccnc1 238560499 573884382 /nfs/dbraw/zinc/88/43/82/573884382.db2.gz LUYOTCINSNHCEF-GXSJLCMTSA-N 2 0 191.278 1.081 10 0 ADAERP C[NH2+][C@H](C1CCC1)C(C)(C)[NH2+]C 259577120 573884498 /nfs/dbraw/zinc/88/44/98/573884498.db2.gz WZINHMJBNTWRJR-SECBINFHSA-N 2 0 170.300 1.373 10 0 ADAERP C[NH+](C)[C@@H]1CCCN(C(=[NH2+])C2CC2)C1 84421135 573885955 /nfs/dbraw/zinc/88/59/55/573885955.db2.gz QJGCWHPOJSDVLV-SNVBAGLBSA-N 2 0 195.310 1.400 10 0 ADAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1ccncc1 238560520 573885969 /nfs/dbraw/zinc/88/59/69/573885969.db2.gz DNZZSEZTXNDFSQ-QWRGUYRKSA-N 2 0 191.278 1.081 10 0 ADAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1ccccc1 238560466 573886008 /nfs/dbraw/zinc/88/60/08/573886008.db2.gz KGADWCLCIUCNGS-RYUDHWBXSA-N 2 0 190.290 1.686 10 0 ADAERP 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[NH3+][C@@H]1CCC[N@H+](CC[C@@H]2C=CCC2)C1 238560963 573891097 /nfs/dbraw/zinc/89/10/97/573891097.db2.gz GYZJTBNSHYFPMQ-VXGBXAGGSA-N 2 0 194.322 1.766 10 0 ADAERP CC(C)Cc1c[nH]c(C[C@H](C)C[NH3+])n1 259221122 573891125 /nfs/dbraw/zinc/89/11/25/573891125.db2.gz ZJUVQPNZCXZYRI-VIFPVBQESA-N 2 0 195.310 1.746 10 0 ADAERP Cc1ccccc1[C@H]([NH3+])[C@H]1CC[NH2+]C1 257894897 573891167 /nfs/dbraw/zinc/89/11/67/573891167.db2.gz XUSLPLXZVZSBIV-CMPLNLGQSA-N 2 0 190.290 1.604 10 0 ADAERP C[C@@H]([NH+]1CCC(C[NH3+])CC1)C1(C)CC1 87364831 573891216 /nfs/dbraw/zinc/89/12/16/573891216.db2.gz MHRBYYACBMSACN-SNVBAGLBSA-N 2 0 196.338 1.846 10 0 ADAERP C[NH+]1CCC2(CC1)C[C@H](F)CC[NH2+]2 258987891 573891246 /nfs/dbraw/zinc/89/12/46/573891246.db2.gz VWXUMEVPUIFENU-SECBINFHSA-N 2 0 186.274 1.172 10 0 ADAERP CC(C)[N@@H+]1CCC[C@H]([NH3+])CC1 76592037 573891289 /nfs/dbraw/zinc/89/12/89/573891289.db2.gz NPTFUEOXDCOHHR-VIFPVBQESA-N 2 0 156.273 1.208 10 0 ADAERP C[N@H+](CC[C@@H]([NH3+])C1CC1)C1CCC1 127519131 573891445 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LTGODKBSCVTDML-NEPJUHHUSA-N 2 0 196.338 1.860 10 0 ADAERP C[NH+](C)[C@H](C1CCC1)C(C)(C)C[NH3+] 259231017 573901104 /nfs/dbraw/zinc/90/11/04/573901104.db2.gz AUHBUYQFRPSRON-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CC(C)[C@H](C[NH3+])C[N@H+](C)C1CCC1 127532180 573901157 /nfs/dbraw/zinc/90/11/57/573901157.db2.gz WHQVZYJQGWKEJY-SNVBAGLBSA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@@H]([NH3+])[C@H](CC)C[NH2+]C 259226086 573901169 /nfs/dbraw/zinc/90/11/69/573901169.db2.gz FJIIKXUMYWQEEM-RKDXNWHRSA-N 2 0 158.289 1.359 10 0 ADAERP C[NH2+][C@H](CC(C)C)C[C@H](C)C[NH3+] 259225172 573901259 /nfs/dbraw/zinc/90/12/59/573901259.db2.gz GGHVBBPDVXDDIL-VHSXEESVSA-N 2 0 172.316 1.605 10 0 ADAERP CCCCOCCC[NH2+]CCC[NH3+] 41620030 573901640 /nfs/dbraw/zinc/90/16/40/573901640.db2.gz PXUTWOPZBPSYLO-UHFFFAOYSA-N 2 0 188.315 1.132 10 0 ADAERP C[NH2+][C@H](CC(C)C)C[C@@H](C)C[NH3+] 259225164 573901642 /nfs/dbraw/zinc/90/16/42/573901642.db2.gz GGHVBBPDVXDDIL-NXEZZACHSA-N 2 0 172.316 1.605 10 0 ADAERP C[NH2+][C@@H](C[C@H](C)[NH3+])c1ccncc1 259226197 573901648 /nfs/dbraw/zinc/90/16/48/573901648.db2.gz FJZHWBKCEGMULA-WPRPVWTQSA-N 2 0 179.267 1.079 10 0 ADAERP C[C@H](C[NH3+])c1ccc(C[NH+](C)C)cc1 41664051 573906914 /nfs/dbraw/zinc/90/69/14/573906914.db2.gz HAOIOIMJZPGLBY-SNVBAGLBSA-N 2 0 192.306 1.810 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@H](C1CCC1)[NH+](C)C 259232371 573906917 /nfs/dbraw/zinc/90/69/17/573906917.db2.gz QTQPBCHKIGKHHP-CMPLNLGQSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH2+][C@H](C1CCC1)C1CC[NH2+]CC1 259230355 573902696 /nfs/dbraw/zinc/90/26/96/573902696.db2.gz GLPUHSXGDNATSH-LLVKDONJSA-N 2 0 182.311 1.374 10 0 ADAERP CCCC[NH2+][C@H](C)C[NH2+]CC 127446731 573902744 /nfs/dbraw/zinc/90/27/44/573902744.db2.gz NPKIHRMNHFTILQ-SECBINFHSA-N 2 0 158.289 1.374 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1c1cc(C[NH3+])no1 259229597 573902755 /nfs/dbraw/zinc/90/27/55/573902755.db2.gz MJBRBGBQQSIMGJ-SECBINFHSA-N 2 0 195.266 1.290 10 0 ADAERP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CCC1 686251385 573902801 /nfs/dbraw/zinc/90/28/01/573902801.db2.gz ZQHQAMIAHVWFMI-CABZTGNLSA-N 2 0 196.338 1.763 10 0 ADAERP C[N@@H+]1CCCC[C@H]1c1cc(C[NH3+])no1 259229601 573902867 /nfs/dbraw/zinc/90/28/67/573902867.db2.gz MJBRBGBQQSIMGJ-VIFPVBQESA-N 2 0 195.266 1.290 10 0 ADAERP CC[C@@H]1CCC[C@H]1[N@H+](C)C[C@@H](C)N 393568950 573902876 /nfs/dbraw/zinc/90/28/76/573902876.db2.gz ZMCMBNDHSNHYDL-GMTAPVOTSA-N 2 0 184.327 1.844 10 0 ADAERP C[NH+](C)[C@@H](C1CCC1)C(C)(C)C[NH3+] 259231010 573902934 /nfs/dbraw/zinc/90/29/34/573902934.db2.gz AUHBUYQFRPSRON-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP CCC[C@H]([NH3+])[C@H](CC)C[NH2+]C 259226077 573903108 /nfs/dbraw/zinc/90/31/08/573903108.db2.gz FJIIKXUMYWQEEM-BDAKNGLRSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@H](CC(N)=[NH2+])[N@H+](C)C1CCC1 127473671 573903131 /nfs/dbraw/zinc/90/31/31/573903131.db2.gz QNUCUNICUKLQEI-SSDOTTSWSA-N 2 0 169.272 1.185 10 0 ADAERP CC(C)(C[NH3+])[C@@]1(F)CCC[NH2+]C1 257903817 573903147 /nfs/dbraw/zinc/90/31/47/573903147.db2.gz PIAUHIFSYMYDJY-SECBINFHSA-N 2 0 174.263 1.063 10 0 ADAERP C[NH+](C)[C@@H](CCC[NH3+])C1CCCC1 259225737 573903196 /nfs/dbraw/zinc/90/31/96/573903196.db2.gz AQAWZQZNCCBZKP-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP C[N@H+](CCCC(N)=[NH2+])C1CCC1 127473174 573903251 /nfs/dbraw/zinc/90/32/51/573903251.db2.gz MALYVEMRYPLWGB-UHFFFAOYSA-N 2 0 169.272 1.187 10 0 ADAERP C[NH2+][C@H](CC(C)(C)[NH3+])c1cccnc1 259584303 573903325 /nfs/dbraw/zinc/90/33/25/573903325.db2.gz XJLRGBYBGJOROW-SNVBAGLBSA-N 2 0 193.294 1.470 10 0 ADAERP C[NH2+][C@@H](CC(C)(C)[NH3+])c1cccnc1 259584302 573903337 /nfs/dbraw/zinc/90/33/37/573903337.db2.gz XJLRGBYBGJOROW-JTQLQIEISA-N 2 0 193.294 1.470 10 0 ADAERP CC[C@@H](CC(N)=[NH2+])[N@H+](C)C1CCC1 127474458 573903386 /nfs/dbraw/zinc/90/33/86/573903386.db2.gz IFWMYSBLXAZFPO-QMMMGPOBSA-N 2 0 183.299 1.575 10 0 ADAERP CCC[NH2+]CCN(C)CCC(C)C 44383445 573907009 /nfs/dbraw/zinc/90/70/09/573907009.db2.gz HWSXEHRHXMPGLS-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP CC[C@H](C[NH2+]C)[C@@H](C1CCC1)[NH+](C)C 259232380 573907102 /nfs/dbraw/zinc/90/71/02/573907102.db2.gz QTQPBCHKIGKHHP-PWSUYJOCSA-N 2 0 198.354 1.962 10 0 ADAERP C[NH+]1CCC2(CC1)[NH2+]CCC[C@H]2F 259001201 573907146 /nfs/dbraw/zinc/90/71/46/573907146.db2.gz WVZVIPHPKTZGSN-SECBINFHSA-N 2 0 186.274 1.172 10 0 ADAERP C[NH+]1CCC2(CC1)[NH2+]CCC[C@@H]2F 259001207 573907190 /nfs/dbraw/zinc/90/71/90/573907190.db2.gz WVZVIPHPKTZGSN-VIFPVBQESA-N 2 0 186.274 1.172 10 0 ADAERP C[NH2+][C@@H](C1CCC1)[C@@H]1CCC[NH2+]C1 259233094 573907192 /nfs/dbraw/zinc/90/71/92/573907192.db2.gz GMQWUHGOHNWTGR-MNOVXSKESA-N 2 0 182.311 1.374 10 0 ADAERP C[NH2+]CC1(C[C@@H]2CC[N@H+](C)C2)CC1 259234155 573907274 /nfs/dbraw/zinc/90/72/74/573907274.db2.gz VEGRKNUAPLFKRP-JTQLQIEISA-N 2 0 182.311 1.328 10 0 ADAERP C[C@@H](C[N@H+](C)CC1CCCC1)C(N)=[NH2+] 44413535 573907391 /nfs/dbraw/zinc/90/73/91/573907391.db2.gz KZJFXQQZBHZCEL-VIFPVBQESA-N 2 0 197.326 1.680 10 0 ADAERP CC[C@@H](C[NH2+]C)[C@@H](C1CCC1)[NH+](C)C 259232376 573907413 /nfs/dbraw/zinc/90/74/13/573907413.db2.gz QTQPBCHKIGKHHP-JQWIXIFHSA-N 2 0 198.354 1.962 10 0 ADAERP CC[NH2+]Cc1c[nH+]c(N)n1C(C)C 258178774 573907447 /nfs/dbraw/zinc/90/74/47/573907447.db2.gz MRUOXDAILDOKBM-UHFFFAOYSA-N 2 0 182.271 1.156 10 0 ADAERP C[C@H](C[N@H+](C)CC1CCCC1)C(N)=[NH2+] 44413537 573907474 /nfs/dbraw/zinc/90/74/74/573907474.db2.gz KZJFXQQZBHZCEL-SECBINFHSA-N 2 0 197.326 1.680 10 0 ADAERP C[N@@H+]1CCC(C)(C)CC[C@@H]1CC[NH3+] 76629750 573907477 /nfs/dbraw/zinc/90/74/77/573907477.db2.gz LIWXHZBWRDHHHO-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[NH2+][C@H]([C@@H](C)C[NH3+])C(C)(C)C 259580276 573907564 /nfs/dbraw/zinc/90/75/64/573907564.db2.gz WBEPMMNQOMJNEJ-JGVFFNPUSA-N 2 0 158.289 1.215 10 0 ADAERP CC(C)[NH2+]C[C@@H]1C[C@@H]1[C@H]1CC[N@H+](C)C1 308462432 573907596 /nfs/dbraw/zinc/90/75/96/573907596.db2.gz SIWQTXHNGLDYRQ-SDDRHHMPSA-N 2 0 196.338 1.572 10 0 ADAERP CCC[N@@H+]1CC[C@@H](C[NH3+])CC1(C)C 259228782 573907660 /nfs/dbraw/zinc/90/76/60/573907660.db2.gz DGSTWAWQRZFATN-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[C@H]([NH3+])CCCN(C)c1cc[nH+]cc1 259000061 573906933 /nfs/dbraw/zinc/90/69/33/573906933.db2.gz WPMHTPYESYIWLJ-JTQLQIEISA-N 2 0 193.294 1.645 10 0 ADAERP CC(C)[C@H]([NH+](C)C)C1(C[NH3+])CCC1 259239766 573913684 /nfs/dbraw/zinc/91/36/84/573913684.db2.gz BCAPOGDTQYWZNA-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@@H](C[C@H]1CCC[NH2+]1)c1cc[nH]c1 259238295 573913704 /nfs/dbraw/zinc/91/37/04/573913704.db2.gz GRXLJVRNODSIFZ-MNOVXSKESA-N 2 0 193.294 1.417 10 0 ADAERP C[NH2+]CCC[C@@H]([NH3+])c1ccccc1F 259581041 573913821 /nfs/dbraw/zinc/91/38/21/573913821.db2.gz ZDVBPPCCTPHUDE-LLVKDONJSA-N 2 0 196.269 1.825 10 0 ADAERP CC[C@H](C[NH3+])[C@@H]([NH2+]C)c1cc[nH]c1 259237702 573913852 /nfs/dbraw/zinc/91/38/52/573913852.db2.gz MZOFASAZGCVQEG-PSASIEDQSA-N 2 0 181.283 1.260 10 0 ADAERP C[C@H]([NH3+])CCC[NH2+]CCc1cc[nH]c1 259002039 573913867 /nfs/dbraw/zinc/91/38/67/573913867.db2.gz WTHHTUDWRUDXBK-JTQLQIEISA-N 2 0 195.310 1.274 10 0 ADAERP CC[C@H]1CC[C@H](C[NH3+])[C@@H]([NH3+])C1 224326158 573914051 /nfs/dbraw/zinc/91/40/51/573914051.db2.gz OMIONCHSXDKRCL-YIZRAAEISA-N 2 0 156.273 1.099 10 0 ADAERP CCCC[NH2+]CCC[NH2+]CCOC 127569347 573914278 /nfs/dbraw/zinc/91/42/78/573914278.db2.gz JUXYOMAPEJXTMK-UHFFFAOYSA-N 2 0 188.315 1.002 10 0 ADAERP C1C[NH+]=C2C[C@@H]3C[NH2+]C[C@H]3C[C@H]2C1 80877813 573914300 /nfs/dbraw/zinc/91/43/00/573914300.db2.gz ABSGBWRTNQDTBQ-OPRDCNLKSA-N 2 0 178.279 1.467 10 0 ADAERP CCC[C@@H]([NH2+]C)[C@@H](C)CC[NH3+] 259238662 573914308 /nfs/dbraw/zinc/91/43/08/573914308.db2.gz GUFHUGLQUGUVOK-DTWKUNHWSA-N 2 0 158.289 1.359 10 0 ADAERP C[C@@H]([NH3+])CCC[NH2+]CCc1cc[nH]c1 259002040 573914614 /nfs/dbraw/zinc/91/46/14/573914614.db2.gz WTHHTUDWRUDXBK-SNVBAGLBSA-N 2 0 195.310 1.274 10 0 ADAERP CC(C)CCC[N@H+](C)C[C@@H]1CC[NH2+]C1 259002192 573914625 /nfs/dbraw/zinc/91/46/25/573914625.db2.gz WYRAEUFEBMQVDF-GFCCVEGCSA-N 2 0 198.354 1.964 10 0 ADAERP [NH3+]C1([C@H]2CC[NH2+]C2)CCCCC1 257897545 573914659 /nfs/dbraw/zinc/91/46/59/573914659.db2.gz DDFPWDIUCXDXDJ-VIFPVBQESA-N 2 0 168.284 1.258 10 0 ADAERP CC(C)CCC[N@H+](C)C[C@H]1CC[NH2+]C1 259004366 573914684 /nfs/dbraw/zinc/91/46/84/573914684.db2.gz WYRAEUFEBMQVDF-LBPRGKRZSA-N 2 0 198.354 1.964 10 0 ADAERP CC1(C)C[C@H]2C[NH+]3CCC(CC3)[C@@H]2[NH2+]1 76636236 573914765 /nfs/dbraw/zinc/91/47/65/573914765.db2.gz DIHPLUWNXSUJSM-QWRGUYRKSA-N 2 0 194.322 1.469 10 0 ADAERP C[C@@H](C[NH3+])CC[N@H+](C)Cc1cc[nH]c1 259002189 573914885 /nfs/dbraw/zinc/91/48/85/573914885.db2.gz WYMVWQVWSDFUBR-SNVBAGLBSA-N 2 0 195.310 1.431 10 0 ADAERP CC(C)[C@H]1[C@@H](C[NH3+])CCCC[N@@H+]1C 238184354 573915005 /nfs/dbraw/zinc/91/50/05/573915005.db2.gz RLJBTGBBVDLWAJ-MNOVXSKESA-N 2 0 184.327 1.702 10 0 ADAERP CC1(C)C[C@@H]2C[NH+]3CCC(CC3)[C@H]2[NH2+]1 76636239 573915083 /nfs/dbraw/zinc/91/50/83/573915083.db2.gz DIHPLUWNXSUJSM-GHMZBOCLSA-N 2 0 194.322 1.469 10 0 ADAERP C[C@](C[NH3+])(C[C@@H]1CCCO1)[NH2+]C1CC1 689869796 573915093 /nfs/dbraw/zinc/91/50/93/573915093.db2.gz XWXASFSLUGSVIF-WDEREUQCSA-N 2 0 198.310 1.025 10 0 ADAERP CC[C@@](C)(C[NH3+])C[N@H+](C)C1CCC1 127565498 573915099 /nfs/dbraw/zinc/91/50/99/573915099.db2.gz ATVDRVJLOZFUQE-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H]([NH2+]C)c1cc[nH]c1 259237709 573915119 /nfs/dbraw/zinc/91/51/19/573915119.db2.gz MZOFASAZGCVQEG-WCBMZHEXSA-N 2 0 181.283 1.260 10 0 ADAERP CC(C)[N@@H+]1CCC=C(C[C@@H](C)[NH3+])C1 258180221 573915134 /nfs/dbraw/zinc/91/51/34/573915134.db2.gz SRFDCFWFCLQRHY-SNVBAGLBSA-N 2 0 182.311 1.764 10 0 ADAERP C[C@H]([NH3+])C[NH2+]CC1(C2CC2)CCC1 393597828 573915154 /nfs/dbraw/zinc/91/51/54/573915154.db2.gz KGCCMSGUOHSXMU-VIFPVBQESA-N 2 0 182.311 1.504 10 0 ADAERP C[NH2+][C@@H](C1CCCCC1)[C@@H](C)[NH3+] 259238328 573915299 /nfs/dbraw/zinc/91/52/99/573915299.db2.gz FWNWZEOMGPTFFI-PSASIEDQSA-N 2 0 170.300 1.502 10 0 ADAERP CC1(C)C[C@@H]2C[NH+]3CCC(CC3)[C@@H]2[NH2+]1 76636235 573915623 /nfs/dbraw/zinc/91/56/23/573915623.db2.gz DIHPLUWNXSUJSM-MNOVXSKESA-N 2 0 194.322 1.469 10 0 ADAERP [NH3+]Cc1cccc(CC[NH+]2CCC2)c1 257901458 573926547 /nfs/dbraw/zinc/92/65/47/573926547.db2.gz YULXKLOCDZOEMA-UHFFFAOYSA-N 2 0 190.290 1.394 10 0 ADAERP CC[NH2+]CCCC[C@@H](C)[NH3+] 123077496 573926793 /nfs/dbraw/zinc/92/67/93/573926793.db2.gz NOFDKHXIEWANDG-MRVPVSSYSA-N 2 0 144.262 1.113 10 0 ADAERP CCCCC[NH2+]C(C)(C)CC[NH3+] 259011274 573926895 /nfs/dbraw/zinc/92/68/95/573926895.db2.gz RICMBHNKESPZOX-UHFFFAOYSA-N 2 0 172.316 1.894 10 0 ADAERP C[C@H](CCC[NH3+])[NH+]1CC2(CCCC2)C1 308464390 573926920 /nfs/dbraw/zinc/92/69/20/573926920.db2.gz GPQJYTWEFZCSMP-LLVKDONJSA-N 2 0 196.338 1.990 10 0 ADAERP C[NH2+][C@@H](CC[C@@H](C)[NH3+])c1cccnc1 259240920 573927080 /nfs/dbraw/zinc/92/70/80/573927080.db2.gz GVVDJBWIUQKGGG-KOLCDFICSA-N 2 0 193.294 1.470 10 0 ADAERP CCC1([NH2+]C[C@@H]2C[C@H]2C[NH3+])CC1 715073986 573934629 /nfs/dbraw/zinc/93/46/29/573934629.db2.gz ARPCDGCIKNAKDL-IUCAKERBSA-N 2 0 168.284 1.113 10 0 ADAERP C[NH2+]C[C@@H](C[NH3+])Cc1cccs1 258462418 573934648 /nfs/dbraw/zinc/93/46/48/573934648.db2.gz XXIODJNCHJFNDT-MRVPVSSYSA-N 2 0 184.308 1.085 10 0 ADAERP C[NH+](C)CC[C@](C)([NH3+])c1ccccc1 715215956 573933846 /nfs/dbraw/zinc/93/38/46/573933846.db2.gz JDWPRNHDDZEWAU-LBPRGKRZSA-N 2 0 192.306 1.812 10 0 ADAERP CC[C@H]1CC[C@@H](C)[N@@H+]1CCCC(N)=[NH2+] 211599342 573933890 /nfs/dbraw/zinc/93/38/90/573933890.db2.gz ULMAEMSDEDZWGP-ZJUUUORDSA-N 2 0 197.326 1.965 10 0 ADAERP C[NH2+]CCCC1=CCC[N@H+](C)C1 257905087 573933977 /nfs/dbraw/zinc/93/39/77/573933977.db2.gz AWKKDANUBNANBB-UHFFFAOYSA-N 2 0 168.284 1.248 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)C(C)(C)[NH3+] 259242895 573934023 /nfs/dbraw/zinc/93/40/23/573934023.db2.gz GBWUEWZCLAEUEL-VIFPVBQESA-N 2 0 170.300 1.502 10 0 ADAERP [NH3+][C@H]1C[C@H]2CCCC[C@H]2C[C@H]1[NH3+] 81141002 573934269 /nfs/dbraw/zinc/93/42/69/573934269.db2.gz LEHVFMWPPKBCDK-FIRGSJFUSA-N 2 0 168.284 1.241 10 0 ADAERP CC(C)[C@@H](C1CC([NH3+])C1)[NH+](C)C 259243587 573934403 /nfs/dbraw/zinc/93/44/03/573934403.db2.gz BFZVBIHIPQFCLK-RTBKNWGFSA-N 2 0 170.300 1.310 10 0 ADAERP C[C@H]1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 84987763 573938018 /nfs/dbraw/zinc/93/80/18/573938018.db2.gz SVFGZBLKCIBILK-ONGXEEELSA-N 2 0 182.311 1.456 10 0 ADAERP CCCC[N@H+](C)CC[C@@H]([NH3+])CC 127763633 573937533 /nfs/dbraw/zinc/93/75/33/573937533.db2.gz XBCLNQOMRGANIC-JTQLQIEISA-N 2 0 172.316 1.846 10 0 ADAERP C[C@@H]([NH3+])CCC(=O)[C@H]1CCC[N@H+](C)C1 259245055 573937607 /nfs/dbraw/zinc/93/76/07/573937607.db2.gz RPQPVSCERWATOY-ZJUUUORDSA-N 2 0 198.310 1.025 10 0 ADAERP CC[NH2+]C[C@@H]1C[C@@H]1C1CC[NH+](C)CC1 308467446 573937721 /nfs/dbraw/zinc/93/77/21/573937721.db2.gz ZWBVLTRUVBJBQD-NWDGAFQWSA-N 2 0 196.338 1.574 10 0 ADAERP C[C@H]([NH3+])CCC(=O)[C@@H]1CCC[N@H+](C)C1 259245051 573937760 /nfs/dbraw/zinc/93/77/60/573937760.db2.gz RPQPVSCERWATOY-VHSXEESVSA-N 2 0 198.310 1.025 10 0 ADAERP C[C@H]1C[C@@H]([NH+]2CC(C[NH3+])C2)CC[C@H]1C 84987663 573937884 /nfs/dbraw/zinc/93/78/84/573937884.db2.gz QPHIDJYQIHNSBN-SCVCMEIPSA-N 2 0 196.338 1.702 10 0 ADAERP CCCC[N@H+](C)CC[C@H]([NH3+])CC 127763385 573937893 /nfs/dbraw/zinc/93/78/93/573937893.db2.gz XBCLNQOMRGANIC-SNVBAGLBSA-N 2 0 172.316 1.846 10 0 ADAERP Cc1ccc([C@H]([NH3+])[C@H]2CC[NH2+]C2)cc1 257906333 573937896 /nfs/dbraw/zinc/93/78/96/573937896.db2.gz ZOPMPPXFKPLBCZ-RYUDHWBXSA-N 2 0 190.290 1.604 10 0 ADAERP C[C@H]([NH3+])CCC(=O)[C@H]1CCC[N@H+](C)C1 259245047 573937921 /nfs/dbraw/zinc/93/79/21/573937921.db2.gz RPQPVSCERWATOY-UWVGGRQHSA-N 2 0 198.310 1.025 10 0 ADAERP CCC[NH2+]CCC[N@@H+]1CC[C@@H](C)C1 42409720 573940487 /nfs/dbraw/zinc/94/04/87/573940487.db2.gz SFIZJKWUNDRBLT-LLVKDONJSA-N 2 0 184.327 1.718 10 0 ADAERP CC(C)[NH2+]CCC[N@@H+]1CC[C@H](C)C1 42372062 573940519 /nfs/dbraw/zinc/94/05/19/573940519.db2.gz NZNMEUFKKYMZLP-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@H](C)C1CC1 42409599 573940537 /nfs/dbraw/zinc/94/05/37/573940537.db2.gz WVSDDPXUNZFTRT-SECBINFHSA-N 2 0 170.300 1.326 10 0 ADAERP CCC[N@H+](CCC[NH2+]CC)C1CC1 42409514 573940576 /nfs/dbraw/zinc/94/05/76/573940576.db2.gz GKECPHOCBJKWEL-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP CC[C@@H]([NH3+])CC[N@H+](CC)C(C)C 127777088 573940650 /nfs/dbraw/zinc/94/06/50/573940650.db2.gz XMIIXYOYWQDHEG-SNVBAGLBSA-N 2 0 172.316 1.844 10 0 ADAERP CC[C@H](C[C@H](C)O)[NH2+]Cc1cnc[nH]1 716863198 573940652 /nfs/dbraw/zinc/94/06/52/573940652.db2.gz MLLMIAZOQCQGEE-DTWKUNHWSA-N 2 0 197.282 1.049 10 0 ADAERP CC[NH2+]CCC[N@H+](C)C[C@H](C)CC 42409529 573940672 /nfs/dbraw/zinc/94/06/72/573940672.db2.gz XKWQNAOLTBXVOO-LLVKDONJSA-N 2 0 186.343 1.964 10 0 ADAERP CC[C@H](C)[N@@H+](C)CC[C@H]([NH3+])CC 127780912 573940747 /nfs/dbraw/zinc/94/07/47/573940747.db2.gz VWVULTKQYGGGGH-VHSXEESVSA-N 2 0 172.316 1.844 10 0 ADAERP CCC[NH2+]CCC[N@H+](C)CC 42409479 573940878 /nfs/dbraw/zinc/94/08/78/573940878.db2.gz FWTSEXLRZKQRDK-UHFFFAOYSA-N 2 0 158.289 1.328 10 0 ADAERP [NH3+]Cc1ccc2c(C[NH3+])coc2c1 257906550 573940930 /nfs/dbraw/zinc/94/09/30/573940930.db2.gz BSNMYKMCMWNGEI-UHFFFAOYSA-N 2 0 176.219 1.350 10 0 ADAERP C[C@H](C[NH3+])[C@@H]([NH3+])c1cccc(F)c1 259586899 573940992 /nfs/dbraw/zinc/94/09/92/573940992.db2.gz ZMXATLOZPSIKHR-GMSGAONNSA-N 2 0 182.242 1.420 10 0 ADAERP C[C@@H](C[NH3+])[C@@H]([NH3+])c1cccc(F)c1 259586902 573941180 /nfs/dbraw/zinc/94/11/80/573941180.db2.gz ZMXATLOZPSIKHR-OIBJUYFYSA-N 2 0 182.242 1.420 10 0 ADAERP Cc1ccc([C@@H]([NH3+])[C@@H]2CC[NH2+]C2)cc1 257906337 573941319 /nfs/dbraw/zinc/94/13/19/573941319.db2.gz ZOPMPPXFKPLBCZ-VXGBXAGGSA-N 2 0 190.290 1.604 10 0 ADAERP CC[N@H+](CCC[NH2+]C)C1CCCC1 42409564 573941353 /nfs/dbraw/zinc/94/13/53/573941353.db2.gz XTBNZAGDDCDBQC-UHFFFAOYSA-N 2 0 184.327 1.860 10 0 ADAERP C[C@H](C[NH3+])[C@H]([NH3+])c1cccc(F)c1 259586905 573941401 /nfs/dbraw/zinc/94/14/01/573941401.db2.gz ZMXATLOZPSIKHR-XCBNKYQSSA-N 2 0 182.242 1.420 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@@H]1CCSC1 42409536 573941454 /nfs/dbraw/zinc/94/14/54/573941454.db2.gz ZJBHEZBHKRUWDS-SECBINFHSA-N 2 0 188.340 1.033 10 0 ADAERP CC[C@@H]([NH3+])CC[N@H+](C)CC(C)C 127780458 573941471 /nfs/dbraw/zinc/94/14/71/573941471.db2.gz GOOABZXSHAFBKD-SNVBAGLBSA-N 2 0 172.316 1.702 10 0 ADAERP C[NH2+]CCC[N@H+](C)[C@H]1CCSC1 42409537 573941572 /nfs/dbraw/zinc/94/15/72/573941572.db2.gz ZJBHEZBHKRUWDS-VIFPVBQESA-N 2 0 188.340 1.033 10 0 ADAERP CC[NH2+]CCC[N@@H+]1CCC[C@@H]1C 42409133 573941637 /nfs/dbraw/zinc/94/16/37/573941637.db2.gz COYMARWRAOSTJQ-JTQLQIEISA-N 2 0 170.300 1.470 10 0 ADAERP CC(C)C[N@@H+]1C[C@H](C[NH3+])CC1(C)C 259245916 573946181 /nfs/dbraw/zinc/94/61/81/573946181.db2.gz FAABOPQAJYKJGX-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP CCC[NH2+]CCN(C)CC(C)(C)C 45073094 573946267 /nfs/dbraw/zinc/94/62/67/573946267.db2.gz RSBIJBRBUBOQKK-UHFFFAOYSA-N 2 0 186.343 1.964 10 0 ADAERP CC[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1C[NH3+] 715079848 573946272 /nfs/dbraw/zinc/94/62/72/573946272.db2.gz ZPSUESCBMIAZBE-AEJSXWLSSA-N 2 0 170.300 1.217 10 0 ADAERP C[N@H+](CCC(N)=[NH2+])CC1CCCC1 42375046 573946382 /nfs/dbraw/zinc/94/63/82/573946382.db2.gz NAONRHPPYSTIOE-UHFFFAOYSA-N 2 0 183.299 1.434 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[NH2+]C1CC(C2CC2)C1 715079710 573946494 /nfs/dbraw/zinc/94/64/94/573946494.db2.gz ZAYINYJECGLRTQ-LVFLEHKBSA-N 2 0 194.322 1.359 10 0 ADAERP CC[N@H+](CCC1CC1)C[C@H]1C[C@@H]1C[NH3+] 715079624 573946511 /nfs/dbraw/zinc/94/65/11/573946511.db2.gz XPNNPUFOEPNODK-VXGBXAGGSA-N 2 0 196.338 1.703 10 0 ADAERP CC(C)[C@@]1([NH3+])CC[C@@H](C)[C@@H]([NH3+])C1 238205817 573946533 /nfs/dbraw/zinc/94/65/33/573946533.db2.gz BNWFISILMYMJIS-KXUCPTDWSA-N 2 0 170.300 1.487 10 0 ADAERP CC1(C)[C@@H](C[NH3+])CC[C@]1(C)C[NH3+] 238206308 573946561 /nfs/dbraw/zinc/94/65/61/573946561.db2.gz ZMPDTIGDYORCRH-PSASIEDQSA-N 2 0 170.300 1.346 10 0 ADAERP CC[C@H](CC[C@H](C)[NH3+])[NH2+]C 259245975 573946594 /nfs/dbraw/zinc/94/65/94/573946594.db2.gz GZVSXBOQNRBFJG-JGVFFNPUSA-N 2 0 144.262 1.112 10 0 ADAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C[NH3+])C(C)(C)C1 715079082 573946697 /nfs/dbraw/zinc/94/66/97/573946697.db2.gz VBUJLQQSKNRUSP-AXFHLTTASA-N 2 0 196.338 1.702 10 0 ADAERP C1CC([NH2+]C[C@@H]2CCC[NH2+]CC2)C1 257907739 573947615 /nfs/dbraw/zinc/94/76/15/573947615.db2.gz PYEKALXYIVSSSQ-SNVBAGLBSA-N 2 0 182.311 1.518 10 0 ADAERP C[N@@H+]1CCC[C@H]([C@]2(C[NH3+])CC2(C)C)C1 259025473 573947668 /nfs/dbraw/zinc/94/76/68/573947668.db2.gz QNNNIUFAXNRKHK-CMPLNLGQSA-N 2 0 196.338 1.703 10 0 ADAERP C[C@H]1C[N@@H+]([C@@H]2CC2(C)C)CC[C@@H]1[NH3+] 45135317 573948061 /nfs/dbraw/zinc/94/80/61/573948061.db2.gz OFVDVNJKMNKISH-LPEHRKFASA-N 2 0 182.311 1.454 10 0 ADAERP CC1(C)[C@@H](C[NH3+])CC[C@@]1(C)[NH3+] 238206288 573948190 /nfs/dbraw/zinc/94/81/90/573948190.db2.gz GKKOUOQDGHZNFO-VXNVDRBHSA-N 2 0 156.273 1.099 10 0 ADAERP CCC1CC[NH+](C[C@@H](C)C[NH3+])CC1 42446223 573951838 /nfs/dbraw/zinc/95/18/38/573951838.db2.gz BDZYJLQNDUWPJW-JTQLQIEISA-N 2 0 184.327 1.703 10 0 ADAERP [NH3+][C@@H]1CC[C@@H](C[NH2+]C2CCC2)C1 85015689 573951962 /nfs/dbraw/zinc/95/19/62/573951962.db2.gz WXFIPZNKLIUGCP-RKDXNWHRSA-N 2 0 168.284 1.256 10 0 ADAERP CCC[C@H]([NH2+]C)C1CCC([NH3+])CC1 259248401 573952026 /nfs/dbraw/zinc/95/20/26/573952026.db2.gz HCJCJEUTYFFEHM-ILDUYXDCSA-N 2 0 184.327 1.892 10 0 ADAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014839 573952046 /nfs/dbraw/zinc/95/20/46/573952046.db2.gz YUIJWSGYTSYIQH-IUCAKERBSA-N 2 0 170.300 1.502 10 0 ADAERP C[C@H]([NH3+])[C@@](C)(F)[C@H]1CC[N@H+](C)C1 257915604 573952072 /nfs/dbraw/zinc/95/20/72/573952072.db2.gz QSNIJLBFEFOTDH-XHNCKOQMSA-N 2 0 174.263 1.014 10 0 ADAERP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 85014501 573952101 /nfs/dbraw/zinc/95/21/01/573952101.db2.gz BVTITSAVJMTOEL-ZJUUUORDSA-N 2 0 182.311 1.598 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@@H](C)C[NH3+] 42443007 573952162 /nfs/dbraw/zinc/95/21/62/573952162.db2.gz GZVNAOOOXLTSEA-VIFPVBQESA-N 2 0 170.300 1.313 10 0 ADAERP C[NH2+]C[C@H]1CC[N@@H+](C(C)C)CC1(C)C 259248319 573952365 /nfs/dbraw/zinc/95/23/65/573952365.db2.gz MEOVRFPPTOELQE-LLVKDONJSA-N 2 0 198.354 1.962 10 0 ADAERP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 85014294 573952423 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IEHHQQNJHFUSSW-LLVKDONJSA-N 2 0 196.338 1.860 10 0 ADAERP CC(C)CC(C)(C)C[NH2+]CC1C[NH2+]C1 259026982 573955470 /nfs/dbraw/zinc/95/54/70/573955470.db2.gz ZHQVHQGSTREYRX-UHFFFAOYSA-N 2 0 198.354 1.868 10 0 ADAERP CC[N@@H+](CC1CC1)C[C@H](C)C[NH3+] 42443009 573955483 /nfs/dbraw/zinc/95/54/83/573955483.db2.gz GZVNAOOOXLTSEA-SECBINFHSA-N 2 0 170.300 1.313 10 0 ADAERP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CC1(C)C 45137884 573955525 /nfs/dbraw/zinc/95/55/25/573955525.db2.gz TZNYYPZFCXRORA-NXEZZACHSA-N 2 0 184.327 1.748 10 0 ADAERP [NH3+]C[C@@]1([NH3+])CCC[C@H](C2CC2)C1 81640755 573955630 /nfs/dbraw/zinc/95/56/30/573955630.db2.gz USMIJIIONYFTLR-VHSXEESVSA-N 2 0 168.284 1.243 10 0 ADAERP C[N@H+](CCCC[NH3+])Cc1ccoc1 42447817 573955674 /nfs/dbraw/zinc/95/56/74/573955674.db2.gz NRIGWLCPDSQENG-UHFFFAOYSA-N 2 0 182.267 1.450 10 0 ADAERP CC1(C)c2ccc(C[NH3+])cc2C[C@@H]1[NH3+] 238208824 573955733 /nfs/dbraw/zinc/95/57/33/573955733.db2.gz KSGVRWWBOFKBHR-NSHDSACASA-N 2 0 190.290 1.306 10 0 ADAERP CC1(C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 45137677 573955744 /nfs/dbraw/zinc/95/57/44/573955744.db2.gz SPAZVTYLHURYHV-JTQLQIEISA-N 2 0 182.311 1.517 10 0 ADAERP CC(C)C[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCC1 308471772 573955746 /nfs/dbraw/zinc/95/57/46/573955746.db2.gz BYIMKNUKHDJUAX-NWDGAFQWSA-N 2 0 196.338 1.716 10 0 ADAERP [NH3+]C[C@]1([NH3+])CCC[C@@H](C2CC2)C1 81640748 573955793 /nfs/dbraw/zinc/95/57/93/573955793.db2.gz USMIJIIONYFTLR-ZJUUUORDSA-N 2 0 168.284 1.243 10 0 ADAERP C[NH2+]CCCC[NH2+][C@H]1CC1(C)C 45137950 573956002 /nfs/dbraw/zinc/95/60/02/573956002.db2.gz XYBNQOXCAOMPTH-VIFPVBQESA-N 2 0 170.300 1.374 10 0 ADAERP C[C@@H]1C[NH2+]C[C@H]1N1CCCC1(C)C 123208798 573963293 /nfs/dbraw/zinc/96/32/93/573963293.db2.gz YOBZHQFBQHGSHQ-NXEZZACHSA-N 2 0 182.311 1.469 10 0 ADAERP CC[C@@H](C)[N@H+](CCC(N)=[NH2+])C(C)C 42529756 573963351 /nfs/dbraw/zinc/96/33/51/573963351.db2.gz MGOOGBBYTKNJDQ-SECBINFHSA-N 2 0 185.315 1.821 10 0 ADAERP C[C@H]1CCC[C@H](C)[NH+]1C/C=C/C[NH3+] 85054765 573963398 /nfs/dbraw/zinc/96/33/98/573963398.db2.gz DIYGAYLDCRJHSC-SEUFLZDSSA-N 2 0 182.311 1.764 10 0 ADAERP CC[C@@H]([NH3+])CC[N@@H+]1CCCC1(C)C 127889613 573963410 /nfs/dbraw/zinc/96/34/10/573963410.db2.gz PUWHIMNQEHVFRD-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CC[NH2+]C[C@H]1CC[C@H]1[N@H+](C)C1CCC1 127897426 573963502 /nfs/dbraw/zinc/96/35/02/573963502.db2.gz MSJFZEPOVGMNKZ-ZYHUDNBSSA-N 2 0 196.338 1.859 10 0 ADAERP C1C[NH2+]CC[C@H](C[NH2+][C@H]2CCCO2)C1 257920891 573963518 /nfs/dbraw/zinc/96/35/18/573963518.db2.gz YFELZNBXNMWWRO-GHMZBOCLSA-N 2 0 198.310 1.102 10 0 ADAERP CC[C@@H]([NH3+])CC[N@H+](CC)CC1CC1 127901716 573963612 /nfs/dbraw/zinc/96/36/12/573963612.db2.gz KBCHBLLYRHCENW-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP [NH3+]C/C=C/C[N@@H+]1CCC[C@H]2CCC[C@H]21 85055210 573963649 /nfs/dbraw/zinc/96/36/49/573963649.db2.gz LYNOOKHKIHOOOS-NUYITTKVSA-N 2 0 194.322 1.766 10 0 ADAERP C1C[NH2+]CC[C@@H](C[NH2+][C@@H]2CCCO2)C1 257920895 573963814 /nfs/dbraw/zinc/96/38/14/573963814.db2.gz YFELZNBXNMWWRO-QWRGUYRKSA-N 2 0 198.310 1.102 10 0 ADAERP C[C@H]1CC[C@H](C)[N@H+](C/C=C/C[NH3+])C1 85055226 573963962 /nfs/dbraw/zinc/96/39/62/573963962.db2.gz LSHLOTOOANCRMY-SEUFLZDSSA-N 2 0 182.311 1.622 10 0 ADAERP CC[C@H]([NH3+])CC[NH2+]Cc1ccsc1 127891749 573966152 /nfs/dbraw/zinc/96/61/52/573966152.db2.gz PGZVLUOBMZCRRP-JTQLQIEISA-N 2 0 198.335 1.965 10 0 ADAERP CC1(C)[C@H]2C[C@](C)([NH3+])[C@@H]([NH3+])C[C@H]21 238218829 573965539 /nfs/dbraw/zinc/96/55/39/573965539.db2.gz KGDDYCGZGJQMBA-VEVYYDQMSA-N 2 0 168.284 1.097 10 0 ADAERP C[C@@H]1CCC[C@@H](C)[NH+]1C/C=C/C[NH3+] 85054766 573965541 /nfs/dbraw/zinc/96/55/41/573965541.db2.gz DIYGAYLDCRJHSC-YIZUVKHSSA-N 2 0 182.311 1.764 10 0 ADAERP C[C@H]1CCC[N@H+](C/C=C/C[NH3+])[C@@H]1C 85054991 573965591 /nfs/dbraw/zinc/96/55/91/573965591.db2.gz XGCBBLNVKFEMPC-MJKAUQOVSA-N 2 0 182.311 1.622 10 0 ADAERP CC(C)C(=[NH2+])N1C[C@@H]([NH+](C)C)[C@H](C)C1 211359337 573965599 /nfs/dbraw/zinc/96/55/99/573965599.db2.gz HEUQHADEHOYLGY-NXEZZACHSA-N 2 0 197.326 1.502 10 0 ADAERP CC[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 127789836 573966265 /nfs/dbraw/zinc/96/62/65/573966265.db2.gz ASFNQNLCFHZVRD-GXSJLCMTSA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 127789568 573965868 /nfs/dbraw/zinc/96/58/68/573965868.db2.gz ASFNQNLCFHZVRD-ONGXEEELSA-N 2 0 184.327 1.844 10 0 ADAERP CC[C@H](C)[N@H+](CCC(N)=[NH2+])C(C)C 42529757 573965915 /nfs/dbraw/zinc/96/59/15/573965915.db2.gz MGOOGBBYTKNJDQ-VIFPVBQESA-N 2 0 185.315 1.821 10 0 ADAERP CC[C@H]([NH3+])CC[N@@H+]1CCC[C@@H]1C 127797801 573965937 /nfs/dbraw/zinc/96/59/37/573965937.db2.gz QMJRFGDCRGRRBT-UWVGGRQHSA-N 2 0 170.300 1.598 10 0 ADAERP CC(C)[C@@H]1CCC[N@@H+]1C/C=C/C[NH3+] 85055231 573966014 /nfs/dbraw/zinc/96/60/14/573966014.db2.gz KTUGEFRMCXQNGR-UFFNRZRYSA-N 2 0 182.311 1.622 10 0 ADAERP CCCC1([NH2+]C[C@H]2C[C@H]2C[NH3+])CC1 715096911 573976644 /nfs/dbraw/zinc/97/66/44/573976644.db2.gz XZPYSVADNJRGSQ-VHSXEESVSA-N 2 0 182.311 1.504 10 0 ADAERP CC(C)[N@H+](CCCC(N)=[NH2+])CC1CC1 42584220 573976743 /nfs/dbraw/zinc/97/67/43/573976743.db2.gz ROMUTBMKLPPQIF-UHFFFAOYSA-N 2 0 197.326 1.823 10 0 ADAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])CC1(C)C 259257749 573984216 /nfs/dbraw/zinc/98/42/16/573984216.db2.gz FNBHUWDCLBSWQQ-SECBINFHSA-N 2 0 170.300 1.597 10 0 ADAERP CC(C)[N@H+](CC1CC1)[C@H](C)CC[NH3+] 42563304 573984233 /nfs/dbraw/zinc/98/42/33/573984233.db2.gz LNUOBRDFUUJEIX-SNVBAGLBSA-N 2 0 184.327 1.844 10 0 ADAERP C[C@@H](C[NH3+])C[C@@H]([NH3+])c1cccc(F)c1 259257407 573984338 /nfs/dbraw/zinc/98/43/38/573984338.db2.gz IKQUHLKBPIOJPN-LDYMZIIASA-N 2 0 196.269 1.810 10 0 ADAERP CC(C)[N@@H+](CC1CC1)C[C@@H](C)C[NH3+] 42563227 573984400 /nfs/dbraw/zinc/98/44/00/573984400.db2.gz ZSHWPLPDXVDVDS-JTQLQIEISA-N 2 0 184.327 1.702 10 0 ADAERP COc1ccc([C@H]([NH3+])CC[NH3+])cc1C 259257440 573984935 /nfs/dbraw/zinc/98/49/35/573984935.db2.gz IKXICNFJKXTMJN-SNVBAGLBSA-N 2 0 194.278 1.352 10 0 ADAERP C#[N+]c1cccc([C@@](C)([NH3+])CO)c1 104450690 573985015 /nfs/dbraw/zinc/98/50/15/573985015.db2.gz UDGGTJNYZLRNRU-JTQLQIEISA-N 2 0 176.219 1.404 10 0 ADAERP C[C@H]([NH3+])C[C@H]([NH3+])C1CCCCC1 259257480 573985078 /nfs/dbraw/zinc/98/50/78/573985078.db2.gz ILCAQHFYEOPDHH-WPRPVWTQSA-N 2 0 170.300 1.631 10 0 ADAERP CC1(C)C[C@H](C[NH+]2CCCC2)C[NH2+]1 258195397 573985517 /nfs/dbraw/zinc/98/55/17/573985517.db2.gz MZKPPMNOSAQKTQ-JTQLQIEISA-N 2 0 182.311 1.470 10 0 ADAERP C[NH2+][C@H](c1ccc[nH]1)C1(C[NH3+])CCC1 259260611 573990856 /nfs/dbraw/zinc/99/08/56/573990856.db2.gz HPICRXFFZSBXFT-SNVBAGLBSA-N 2 0 193.294 1.404 10 0 ADAERP CC[N@@H+]1CCC[C@@](C)(C(=[NH2+])NO)C1 238233143 573991023 /nfs/dbraw/zinc/99/10/23/573991023.db2.gz WEFYJQWIUUIEMT-SECBINFHSA-N 2 0 185.271 1.064 10 0 ADAERP C[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CCC1 686252141 573991128 /nfs/dbraw/zinc/99/11/28/573991128.db2.gz DVHFZXVWFOTGMI-VHSXEESVSA-N 2 0 196.338 1.620 10 0 ADAERP CC(C)(C)[C@@H]([NH3+])C1CC[NH2+]CC1 259592501 573991216 /nfs/dbraw/zinc/99/12/16/573991216.db2.gz ZWQGBWRQAGVOLU-VIFPVBQESA-N 2 0 170.300 1.359 10 0 ADAERP CC[C@@H](C[NH3+])[C@H]([NH3+])c1ccc(C)cc1 259262080 573991219 /nfs/dbraw/zinc/99/12/19/573991219.db2.gz GVHVPBWAJRKNQK-JQWIXIFHSA-N 2 0 192.306 1.980 10 0 ADAERP C1=CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC1 87647545 573991324 /nfs/dbraw/zinc/99/13/24/573991324.db2.gz ZDWQMCXBFVUKKR-NWDGAFQWSA-N 2 0 194.322 1.684 10 0 ADAERP C1CC(C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 87646327 573991355 /nfs/dbraw/zinc/99/13/55/573991355.db2.gz AILRPLREZRDLCR-LLVKDONJSA-N 2 0 182.311 1.376 10 0 ADAERP CC[C@H]([NH3+])CC[NH+]1C[C@@H](C)[C@H](C)C1 127922213 573995890 /nfs/dbraw/zinc/99/58/90/573995890.db2.gz PFPRMDIPSTWJRP-MXWKQRLJSA-N 2 0 184.327 1.702 10 0 ADAERP C[NH2+][C@@H](c1ccc[nH]1)C1(C[NH3+])CCC1 259260606 573995917 /nfs/dbraw/zinc/99/59/17/573995917.db2.gz HPICRXFFZSBXFT-JTQLQIEISA-N 2 0 193.294 1.404 10 0 ADAERP [NH3+]C1CC([NH2+]C2CCCCCC2)C1 87651185 573995949 /nfs/dbraw/zinc/99/59/49/573995949.db2.gz POTHIZPMSQZLSP-UHFFFAOYSA-N 2 0 182.311 1.789 10 0 ADAERP CCOCC[N@H+](C)CC[C@@H]([NH3+])CC 127935234 573995326 /nfs/dbraw/zinc/99/53/26/573995326.db2.gz WNLNCRYTEFFOSE-JTQLQIEISA-N 2 0 188.315 1.082 10 0 ADAERP CC1(C)CCC[C@@H]1[NH2+]C1CC([NH3+])C1 87652155 573995344 /nfs/dbraw/zinc/99/53/44/573995344.db2.gz ICMYSNKZCIEODF-RTBKNWGFSA-N 2 0 182.311 1.644 10 0 ADAERP CC1(C[NH2+]C2CC([NH3+])C2)CCCC1 87651954 573995409 /nfs/dbraw/zinc/99/54/09/573995409.db2.gz WIRLKHYPJKLMGQ-UHFFFAOYSA-N 2 0 182.311 1.646 10 0 ADAERP C[C@@H](CCC[NH3+])[N@H+](C)C1CCC1 127908827 573995519 /nfs/dbraw/zinc/99/55/19/573995519.db2.gz FYUZAJJHDFJOMK-VIFPVBQESA-N 2 0 170.300 1.598 10 0 ADAERP CC[C@@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 87652050 573995526 /nfs/dbraw/zinc/99/55/26/573995526.db2.gz CXDCRTBLGPXLAC-PSEORLGDSA-N 2 0 196.338 1.890 10 0 ADAERP C[C@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CC[C@H]1C 87652031 573995553 /nfs/dbraw/zinc/99/55/53/573995553.db2.gz BCSSDEZPWYPUSH-UREMCVEQSA-N 2 0 196.338 1.890 10 0 ADAERP C[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)C1CCC1 127911241 573995681 /nfs/dbraw/zinc/99/56/81/573995681.db2.gz GGPKOAXTWLNYTF-GXSJLCMTSA-N 2 0 182.311 1.469 10 0 ADAERP C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH3+])C2)C1 87651325 573995729 /nfs/dbraw/zinc/99/57/29/573995729.db2.gz OUZXIFGVJNIIGP-BZCXBAJXSA-N 2 0 182.311 1.644 10 0 ADAERP C1CCN(CC[NH2+][C@H]2C[C@@H]2C2CC2)C1 716545925 573995740 /nfs/dbraw/zinc/99/57/40/573995740.db2.gz MILVANWOBCUHLX-NEPJUHHUSA-N 2 0 194.322 1.470 10 0 ADAERP C[C@@H]1CCC[C@H]1[NH2+]C1CC([NH3+])C1 87651934 573995796 /nfs/dbraw/zinc/99/57/96/573995796.db2.gz QDILKDNDBMGHFM-SEZDTBSWSA-N 2 0 168.284 1.254 10 0 ADAERP C[C@@H]1C[N@H+](C2CC([NH3+])C2)C[C@@H]1C 87653636 574001102 /nfs/dbraw/zinc/00/11/02/574001102.db2.gz PEHPSCWXKYSTOO-BQKDNTBBSA-N 2 0 168.284 1.064 10 0 ADAERP CC1(C)CCC[N@@H+](C2CC([NH3+])C2)C1 87653576 574001122 /nfs/dbraw/zinc/00/11/22/574001122.db2.gz KJJIHJBFESVCCY-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1C[NH3+] 715112923 574001144 /nfs/dbraw/zinc/00/11/44/574001144.db2.gz BJOJAHAUHNQFIN-WOPDTQHZSA-N 2 0 196.338 1.702 10 0 ADAERP C[C@H]([NH3+])CC[C@@H](C)[NH+](C)C 259264721 574001145 /nfs/dbraw/zinc/00/11/45/574001145.db2.gz BVNINJPSBVGSBA-JGVFFNPUSA-N 2 0 144.262 1.064 10 0 ADAERP C[C@H]1CCC[C@@H](C)[N@@H+]1C1CC([NH3+])C1 87653153 574001160 /nfs/dbraw/zinc/00/11/60/574001160.db2.gz JTXCXNDVIIIZME-IXBNRNDTSA-N 2 0 182.311 1.739 10 0 ADAERP CC1(C)CC[NH+](C2CC([NH3+])C2)CC1 87653496 574001175 /nfs/dbraw/zinc/00/11/75/574001175.db2.gz WXVPULZAARNZIR-UHFFFAOYSA-N 2 0 182.311 1.598 10 0 ADAERP CC[C@H]1CCCC[N@@H+]1C1CC([NH3+])C1 87653190 574001299 /nfs/dbraw/zinc/00/12/99/574001299.db2.gz AVMDXVLHGTZBOX-YVNMAJEFSA-N 2 0 182.311 1.741 10 0 ADAERP CC[C@@H](C[NH3+])[C@H](c1cc[nH]c1)[NH+](C)C 259264545 574001321 /nfs/dbraw/zinc/00/13/21/574001321.db2.gz BUOVWWRLBLFKMR-GXSJLCMTSA-N 2 0 195.310 1.602 10 0 ADAERP C[C@H]([NH3+])c1cnc([C@@H]2CCC[NH2+]2)o1 258198293 574001356 /nfs/dbraw/zinc/00/13/56/574001356.db2.gz SXGRKCDNNJRODS-BQBZGAKWSA-N 2 0 181.239 1.119 10 0 ADAERP CC[C@@H]1CCC[N@@H+](C2CC([NH3+])C2)C1 87653254 574001384 /nfs/dbraw/zinc/00/13/84/574001384.db2.gz UFLNXTLCBPAAAC-KPPDAEKUSA-N 2 0 182.311 1.598 10 0 ADAERP CCC[C@@H](CC[NH2+]C)[NH+]1CCCC1 82291801 574001392 /nfs/dbraw/zinc/00/13/92/574001392.db2.gz GOHFYFXLCFCYGN-NSHDSACASA-N 2 0 184.327 1.860 10 0 ADAERP C[N@H+](CC(C)(C)C)C1CC([NH3+])C1 87653447 574001463 /nfs/dbraw/zinc/00/14/63/574001463.db2.gz OOPUWWYNQUAGIH-UHFFFAOYSA-N 2 0 170.300 1.454 10 0 ADAERP CCC[C@H](CC[NH2+]C)[NH+](C)C 82291690 574001487 /nfs/dbraw/zinc/00/14/87/574001487.db2.gz KSQPNUQFXJPJRA-SECBINFHSA-N 2 0 158.289 1.326 10 0 ADAERP CC1(C)C[C@@H]([NH3+])[C@@H]([NH3+])C(C)(C)C1 238238518 574001505 /nfs/dbraw/zinc/00/15/05/574001505.db2.gz PDGZSEPWDXNGJA-HTQZYQBOSA-N 2 0 170.300 1.487 10 0 ADAERP C[C@H]1CCC[N@H+](C2CC([NH3+])C2)[C@@H]1C 87653471 574001539 /nfs/dbraw/zinc/00/15/39/574001539.db2.gz JIJIVXKFIGKKRC-IZUQBHJASA-N 2 0 182.311 1.597 10 0 ADAERP C[C@H]1CCCC[C@@H]1[N@H+](C)C1CC([NH3+])C1 87653413 574001597 /nfs/dbraw/zinc/00/15/97/574001597.db2.gz DABYKPLYLLTKMX-XKGSQUFQSA-N 2 0 196.338 1.987 10 0 ADAERP C[N@@H+](C1CCCCC1)C1CC([NH3+])C1 87653145 574001642 /nfs/dbraw/zinc/00/16/42/574001642.db2.gz XSXXOTABSVBXOH-UHFFFAOYSA-N 2 0 182.311 1.741 10 0 ADAERP CCC1(CC)CC[N@@H+](C2CC([NH3+])C2)C1 87653662 574001664 /nfs/dbraw/zinc/00/16/64/574001664.db2.gz ATLXRKSPYPPGOP-UHFFFAOYSA-N 2 0 196.338 1.988 10 0 ADAERP C[NH2+][C@@H](C1CCCC1)[C@H]1CC[NH2+]C1 259270532 574005482 /nfs/dbraw/zinc/00/54/82/574005482.db2.gz HYWVLRYPCUMDIY-QWRGUYRKSA-N 2 0 182.311 1.374 10 0 ADAERP CC[NH2+]C[C@H]([NH2+]C)C1CCCCC1 259270586 574005651 /nfs/dbraw/zinc/00/56/51/574005651.db2.gz HZCLLUUQMUPEJZ-NSHDSACASA-N 2 0 184.327 1.764 10 0 ADAERP C(\C[NH+]1CCCC1)=C1\CCC[NH2+]CC1 258200144 574005689 /nfs/dbraw/zinc/00/56/89/574005689.db2.gz WUCLONNCHCZIHA-WUXMJOGZSA-N 2 0 194.322 1.782 10 0 ADAERP [NH3+]C[C@@H]1C[C@@H]1C[NH+]1CCCCCCC1 715115128 574005704 /nfs/dbraw/zinc/00/57/04/574005704.db2.gz OMSVVTRDHKAIBZ-NWDGAFQWSA-N 2 0 196.338 1.847 10 0 ADAERP C[N@@H+]1CCCC[C@@H]1C1([NH3+])CCCC1 258199517 574005920 /nfs/dbraw/zinc/00/59/20/574005920.db2.gz ZDKRFQIDKHJDHJ-SNVBAGLBSA-N 2 0 182.311 1.742 10 0 ADAERP C[N@@H+]1CC[C@H](C[NH2+]CC2CCCC2)C1 48732709 574008198 /nfs/dbraw/zinc/00/81/98/574008198.db2.gz FDKRWMFFQVONMH-GFCCVEGCSA-N 2 0 196.338 1.718 10 0 ADAERP CC[NH+]1CCC(C/C=C\C[NH3+])CC1 258203951 574008270 /nfs/dbraw/zinc/00/82/70/574008270.db2.gz NNUVWZOKIFBCNU-ARJAWSKDSA-N 2 0 182.311 1.623 10 0 ADAERP CC1(C)[C@H]2CC[C@]1(C[NH3+])[C@@H]([NH3+])C2 238246595 574008522 /nfs/dbraw/zinc/00/85/22/574008522.db2.gz OGUVVAMKVIAWMN-NRPADANISA-N 2 0 168.284 1.099 10 0 ADAERP CC(C)C[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 585382959 574018499 /nfs/dbraw/zinc/01/84/99/574018499.db2.gz WLEPGEBDHUCCAG-QWRGUYRKSA-N 2 0 182.311 1.136 10 0 ADAERP C[NH2+][C@H](c1cccnc1)C1CC([NH3+])C1 259273403 574018598 /nfs/dbraw/zinc/01/85/98/574018598.db2.gz IBSKDMKWNNDQPJ-VQXHTEKXSA-N 2 0 191.278 1.079 10 0 ADAERP Nc1ccnc([C@H]([NH3+])C2CC2)c1 104508421 574019120 /nfs/dbraw/zinc/01/91/20/574019120.db2.gz FSZCGUKGOZVMCH-SECBINFHSA-N 2 0 163.224 1.074 10 0 ADAERP Nc1cc([C@@H]2CCCC[NH2+]2)cc(N)n1 104506626 574020432 /nfs/dbraw/zinc/02/04/32/574020432.db2.gz XBUSQFROQDNLNR-QMMMGPOBSA-N 2 0 192.266 1.061 10 0 ADAERP [NH3+][C@@H](C[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 259276345 574020944 /nfs/dbraw/zinc/02/09/44/574020944.db2.gz JBJLPJBDDIPZKY-UWVGGRQHSA-N 2 0 193.294 1.404 10 0 ADAERP CC[PH+](CC)CC[NH3+] 104513164 574023546 /nfs/dbraw/zinc/02/35/46/574023546.db2.gz BZOZPLBRULERBJ-UHFFFAOYSA-N 2 0 133.175 1.467 10 0 ADAERP CC[C@@H](C[NH3+])[C@@H](CC(C)C)[NH2+]C 259278552 574023602 /nfs/dbraw/zinc/02/36/02/574023602.db2.gz PEZDSVOFGDVDLD-VHSXEESVSA-N 2 0 172.316 1.605 10 0 ADAERP CC[C@H](C[NH3+])[C@@H](CC(C)C)[NH2+]C 259278545 574023637 /nfs/dbraw/zinc/02/36/37/574023637.db2.gz PEZDSVOFGDVDLD-NXEZZACHSA-N 2 0 172.316 1.605 10 0 ADAERP 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631057262 /nfs/dbraw/zinc/05/72/62/631057262.db2.gz FAKHNBNRBYXXJS-OUAUKWLOSA-N 2 0 196.338 1.892 10 0 ADAERP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 925876490 631057431 /nfs/dbraw/zinc/05/74/31/631057431.db2.gz ZPKKEZYGAUHQEM-USWWRNFRSA-N 2 0 196.338 1.892 10 0 ADAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]12CCC[C@@H]1C2 925882124 631057586 /nfs/dbraw/zinc/05/75/86/631057586.db2.gz XCSIVJACHHWILQ-YFKTTZPYSA-N 2 0 196.338 1.892 10 0 ADAERP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 925877111 631057701 /nfs/dbraw/zinc/05/77/01/631057701.db2.gz LKWNILBVRGPDCY-WISYIIOYSA-N 2 0 196.338 1.892 10 0 ADAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@]12CCC[C@@H]1C2 925879994 631057838 /nfs/dbraw/zinc/05/78/38/631057838.db2.gz FSNWLKMEYRGWRM-KKOKHZNYSA-N 2 0 194.322 1.646 10 0 ADAERP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@]12CCC[C@@H]1C2 925882123 631058135 /nfs/dbraw/zinc/05/81/35/631058135.db2.gz XCSIVJACHHWILQ-QCNOEVLYSA-N 2 0 196.338 1.892 10 0 ADAERP CC(C)[NH+]1CCC(C)([NH+](C)C)CC1 931350020 631121534 /nfs/dbraw/zinc/12/15/34/631121534.db2.gz PXWMUTDIPWHLRF-UHFFFAOYSA-N 2 0 184.327 1.811 10 0 ADAERP C[NH+](C)C1(C)CC[NH+](CC2CC2)CC1 931352771 631122650 /nfs/dbraw/zinc/12/26/50/631122650.db2.gz FUIZKJSLDCTORL-UHFFFAOYSA-N 2 0 196.338 1.813 10 0 ADAERP CCC[NH+]1CCC(C)([NH+](C)C)CC1 931350236 631122695 /nfs/dbraw/zinc/12/26/95/631122695.db2.gz FXHCLIPKJGURGX-UHFFFAOYSA-N 2 0 184.327 1.813 10 0 ADAERP CC(C)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931430613 631123864 /nfs/dbraw/zinc/12/38/64/631123864.db2.gz CXZXILDWWCQNHC-NWDGAFQWSA-N 2 0 196.338 1.526 10 0 ADAERP CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931432695 631124543 /nfs/dbraw/zinc/12/45/43/631124543.db2.gz AIBYHKATOKOVNP-WDEREUQCSA-N 2 0 182.311 1.280 10 0 ADAERP C[NH+]1CCC(C[NH+]2CCCC2)CC1 39320054 631148677 /nfs/dbraw/zinc/14/86/77/631148677.db2.gz FTPZDPFWXQIPMG-UHFFFAOYSA-N 2 0 182.311 1.424 10 0 ADAERP CC[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 251776614 631164635 /nfs/dbraw/zinc/16/46/35/631164635.db2.gz ITMKRUAOTHZBEU-TUAOUCFPSA-N 2 0 198.354 1.949 10 0 ADAERP CC(C)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 251896291 631165657 /nfs/dbraw/zinc/16/56/57/631165657.db2.gz WACDQGWGKYNDGM-NEPJUHHUSA-N 2 0 198.354 1.949 10 0 ADAERP Cc1cc(N2CCC([NH3+])CC2)cc[nH+]1 107177788 525056581 /nfs/dbraw/zinc/05/65/81/525056581.db2.gz LKOOKBOKWKSUJN-UHFFFAOYSA-N 2 0 191.278 1.318 10 0 ADAERP Cc1cc(N2CCC[C@@H]([NH3+])C2)cc[nH+]1 107177798 525067239 /nfs/dbraw/zinc/06/72/39/525067239.db2.gz AGLPLLWMROGAKC-SNVBAGLBSA-N 2 0 191.278 1.318 10 0 ADAERP C[C@@H]1CN(c2cc[nH+]cc2)[C@H](C)C[NH2+]1 83119059 525071569 /nfs/dbraw/zinc/07/15/69/525071569.db2.gz VRWSQHAAKQKDAD-NXEZZACHSA-N 2 0 191.278 1.268 10 0 ADAERP Cc1cc(N2CCC[C@H]([NH3+])C2)cc[nH+]1 107177795 525071887 /nfs/dbraw/zinc/07/18/87/525071887.db2.gz AGLPLLWMROGAKC-JTQLQIEISA-N 2 0 191.278 1.318 10 0 ADAERP C[C@H]1C[NH2+][C@H](C)CN1c1cc[nH+]cc1 83119060 525072677 /nfs/dbraw/zinc/07/26/77/525072677.db2.gz VRWSQHAAKQKDAD-ZJUUUORDSA-N 2 0 191.278 1.268 10 0 ADAERP Cc1cc(N2CC[NH2+][C@@H](C)C2)cc[nH+]1 159498875 525082647 /nfs/dbraw/zinc/08/26/47/525082647.db2.gz JYPFGXRFZRUGJD-JTQLQIEISA-N 2 0 191.278 1.188 10 0 ADAERP C[C@H]1CN(c2cc[nH+]cc2)[C@H](C)C[NH2+]1 83119061 525107378 /nfs/dbraw/zinc/10/73/78/525107378.db2.gz VRWSQHAAKQKDAD-VHSXEESVSA-N 2 0 191.278 1.268 10 0 ADAERP CC[N@H+](CCCC[NH3+])CC1CC1 68946356 1224175121 /nfs/dbraw/zinc/17/51/21/1224175121.db2.gz SFFVHWTYUHJSBJ-UHFFFAOYSA-N 2 0 170.300 1.457 10 0 ADAERP CCC[C@H](C)[NH+]1CCC(C[NH3+])CC1 44512190 1224169614 /nfs/dbraw/zinc/16/96/14/1224169614.db2.gz PWWFGJOFKBUJAG-JTQLQIEISA-N 2 0 184.327 1.846 10 0 ADAERP CCC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 44512189 1224169629 /nfs/dbraw/zinc/16/96/29/1224169629.db2.gz PWWFGJOFKBUJAG-SNVBAGLBSA-N 2 0 184.327 1.846 10 0 ADAERP C[N@@H+]1CCC[C@H](n2cccc2C[NH3+])C1 82637125 1224177557 /nfs/dbraw/zinc/17/75/57/1224177557.db2.gz JKXATTWAGGTXPU-NSHDSACASA-N 2 0 193.294 1.214 10 0 ADAERP C[N@@H+]1CCC[C@@H](n2cccc2C[NH3+])C1 82637126 1224177922 /nfs/dbraw/zinc/17/79/22/1224177922.db2.gz JKXATTWAGGTXPU-LLVKDONJSA-N 2 0 193.294 1.214 10 0 ADAERP C[NH+]1CCC(n2cccc2C[NH3+])CC1 82637123 1224178110 /nfs/dbraw/zinc/17/81/10/1224178110.db2.gz XJNODCAAFWJPJM-UHFFFAOYSA-N 2 0 193.294 1.214 10 0 ADAERP C1C[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2C1 126244893 1224183260 /nfs/dbraw/zinc/18/32/60/1224183260.db2.gz BVYXNKFGALWOLK-GRYCIOLGSA-N 2 0 194.322 1.470 10 0 ADAERP C1C[C@@H]2C[NH+]([C@@H]3CCC[NH2+]C3)C[C@H]2C1 126245283 1224183429 /nfs/dbraw/zinc/18/34/29/1224183429.db2.gz BVYXNKFGALWOLK-IJLUTSLNSA-N 2 0 194.322 1.470 10 0 ADAERP C1C[C@H]2C[NH+](C3CC[NH2+]CC3)C[C@@H]2C1 126249924 1224183454 /nfs/dbraw/zinc/18/34/54/1224183454.db2.gz LSOPCLMBFYYKBA-QWRGUYRKSA-N 2 0 194.322 1.470 10 0 ADAERP C1C[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1 126249808 1224183478 /nfs/dbraw/zinc/18/34/78/1224183478.db2.gz LSOPCLMBFYYKBA-PHIMTYICSA-N 2 0 194.322 1.470 10 0 ADAERP C1C[C@@H]2C[NH+](C3CC[NH2+]CC3)C[C@H]2C1 126250111 1224183527 /nfs/dbraw/zinc/18/35/27/1224183527.db2.gz LSOPCLMBFYYKBA-GHMZBOCLSA-N 2 0 194.322 1.470 10 0 ADAERP C1CC1C[NH+]1CCC([NH2+]C2CC2)CC1 166190198 1224197830 /nfs/dbraw/zinc/19/78/30/1224197830.db2.gz XHMLKGQTVRFQDH-UHFFFAOYSA-N 2 0 194.322 1.613 10 0 ADAERP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 306281110 1224250476 /nfs/dbraw/zinc/25/04/76/1224250476.db2.gz HFFVGCXQCUVUGK-IVZWLZJFSA-N 2 0 170.300 1.597 10 0 ADAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CC1 306656232 1224271896 /nfs/dbraw/zinc/27/18/96/1224271896.db2.gz JCNMVFYSJXSDSR-PSASIEDQSA-N 2 0 168.284 1.208 10 0 ADAERP C[C@H](CC1CC1)[NH+]1CCC(C)([NH3+])CC1 307145390 1224278248 /nfs/dbraw/zinc/27/82/48/1224278248.db2.gz MPRDOYXULJJEDY-SNVBAGLBSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H](CC1CC1)[NH+]1CCC(C)([NH3+])CC1 307145389 1224278288 /nfs/dbraw/zinc/27/82/88/1224278288.db2.gz MPRDOYXULJJEDY-JTQLQIEISA-N 2 0 196.338 1.988 10 0 ADAERP CC(C)CC[N@@H+]1CCC[C@H]([NH3+])CC1 307150762 1224278851 /nfs/dbraw/zinc/27/88/51/1224278851.db2.gz UMWGWKGJDVMZOX-NSHDSACASA-N 2 0 184.327 1.846 10 0 ADAERP CC(C)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 307150761 1224278978 /nfs/dbraw/zinc/27/89/78/1224278978.db2.gz UMWGWKGJDVMZOX-LLVKDONJSA-N 2 0 184.327 1.846 10 0 ADAERP CCC(CC)[N@@H+]1CCC[C@H]([NH3+])CC1 307346778 1224283174 /nfs/dbraw/zinc/28/31/74/1224283174.db2.gz MGXUOVCUASUPTB-JTQLQIEISA-N 2 0 184.327 1.988 10 0 ADAERP CCC(CC)[N@@H+]1CCC[C@@H]([NH3+])CC1 307346779 1224283368 /nfs/dbraw/zinc/28/33/68/1224283368.db2.gz MGXUOVCUASUPTB-SNVBAGLBSA-N 2 0 184.327 1.988 10 0 ADAERP CCc1cc(NCC[NH2+]C)cc[nH+]1 307778260 1224291923 /nfs/dbraw/zinc/29/19/23/1224291923.db2.gz IRYXCQGWZFPVCU-UHFFFAOYSA-N 2 0 179.267 1.275 10 0 ADAERP CCCC[C@@H](C)[NH2+]CC1CN(C)C1 379473662 1224316233 /nfs/dbraw/zinc/31/62/33/1224316233.db2.gz LYSHOSISRIGSCO-SNVBAGLBSA-N 2 0 184.327 1.716 10 0 ADAERP CCC[C@H](CC)[NH2+]CC1CN(C)C1 379471831 1224316248 /nfs/dbraw/zinc/31/62/48/1224316248.db2.gz JCIUWJXCRFULMI-NSHDSACASA-N 2 0 184.327 1.716 10 0 ADAERP CCCC[C@H](C)[NH2+]CC1CN(C)C1 379473661 1224316417 /nfs/dbraw/zinc/31/64/17/1224316417.db2.gz LYSHOSISRIGSCO-JTQLQIEISA-N 2 0 184.327 1.716 10 0 ADAERP CCC[C@@H](CC)[NH2+]CC1CN(C)C1 379471830 1224316444 /nfs/dbraw/zinc/31/64/44/1224316444.db2.gz JCIUWJXCRFULMI-LLVKDONJSA-N 2 0 184.327 1.716 10 0 ADAERP [NH3+]CCCC[N@@H+]1CCC2(CCC2)C1 380232728 1224318543 /nfs/dbraw/zinc/31/85/43/1224318543.db2.gz ASUCZAOQEOLFGR-UHFFFAOYSA-N 2 0 182.311 1.601 10 0 ADAERP CCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 393211783 1224333345 /nfs/dbraw/zinc/33/33/45/1224333345.db2.gz JEGCNLLHZSREGR-LLVKDONJSA-N 2 0 184.327 1.990 10 0 ADAERP CCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 393211784 1224333661 /nfs/dbraw/zinc/33/36/61/1224333661.db2.gz JEGCNLLHZSREGR-NSHDSACASA-N 2 0 184.327 1.990 10 0 ADAERP [NH3+]CCCC[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397750107 1224337532 /nfs/dbraw/zinc/33/75/32/1224337532.db2.gz PDANSRVBCSEUHE-ILWJIGKKSA-N 2 0 168.284 1.113 10 0 ADAERP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397733662 1224337602 /nfs/dbraw/zinc/33/76/02/1224337602.db2.gz GVRYAHLCAJNABU-QEYWKRMJSA-N 2 0 168.284 1.112 10 0 ADAERP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397763157 1224337657 /nfs/dbraw/zinc/33/76/57/1224337657.db2.gz WZICFKRGOYLNCJ-JXUBOQSCSA-N 2 0 168.284 1.112 10 0 ADAERP CC[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397763158 1224337749 /nfs/dbraw/zinc/33/77/49/1224337749.db2.gz WZICFKRGOYLNCJ-UTINFBMNSA-N 2 0 168.284 1.112 10 0 ADAERP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@H]1C(C)C 1329023047 1224441381 /nfs/dbraw/zinc/44/13/81/1224441381.db2.gz JQGXHRMPOLYLKJ-SRVKXCTJSA-N 2 0 198.354 1.866 10 0 ADAERP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)C 1329023046 1224441866 /nfs/dbraw/zinc/44/18/66/1224441866.db2.gz JQGXHRMPOLYLKJ-SDDRHHMPSA-N 2 0 198.354 1.866 10 0 ADAERP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C(C)C 1329023045 1224442077 /nfs/dbraw/zinc/44/20/77/1224442077.db2.gz JQGXHRMPOLYLKJ-QJPTWQEYSA-N 2 0 198.354 1.866 10 0 ADAERP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@@H]1C(C)C 1329023048 1224442183 /nfs/dbraw/zinc/44/21/83/1224442183.db2.gz JQGXHRMPOLYLKJ-TUAOUCFPSA-N 2 0 198.354 1.866 10 0 ADAERP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C 389270617 538440252 /nfs/dbraw/zinc/44/02/52/538440252.db2.gz LMBHOIQLUBLVQS-WHOHXGKFSA-N 2 0 198.354 1.961 10 0 ADAERP CC[N@H+](CC(C)C)C[C@H]1C[C@H]([NH3+])C1 675054365 538448605 /nfs/dbraw/zinc/44/86/05/538448605.db2.gz VARAQJVNXDVICC-XYPYZODXSA-N 2 0 184.327 1.702 10 0 ADAERP C[N@H+](C[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 675054784 538448764 /nfs/dbraw/zinc/44/87/64/538448764.db2.gz ZBGDSXVEMUQELW-XYPYZODXSA-N 2 0 196.338 1.988 10 0 ADAERP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2C[C@H]([NH3+])C2)C1 675054525 538448918 /nfs/dbraw/zinc/44/89/18/538448918.db2.gz VYPKRYNENLRGEV-DDHJBXDOSA-N 2 0 196.338 1.702 10 0 ADAERP CC(C)[NH+](C[C@H]1C[C@H]([NH3+])C1)C(C)C 675054552 538448919 /nfs/dbraw/zinc/44/89/19/538448919.db2.gz WGWPSTILJDNZDQ-XYPYZODXSA-N 2 0 184.327 1.843 10 0 ADAERP C[C@H]1C[C@@H](C)C[N@H+](C[C@H]2C[C@H]([NH3+])C2)C1 675054513 538448922 /nfs/dbraw/zinc/44/89/22/538448922.db2.gz VYPKRYNENLRGEV-CDECOKDKSA-N 2 0 196.338 1.702 10 0 ADAERP Cc1c[nH+]ccc1N1CCC([NH3+])CC1 70045228 526236117 /nfs/dbraw/zinc/23/61/17/526236117.db2.gz LVFUJRUMBXOZBS-UHFFFAOYSA-N 2 0 191.278 1.318 10 0 ADAERP Cc1c[nH+]ccc1N1CCC[C@@H]([NH3+])C1 70047556 526236691 /nfs/dbraw/zinc/23/66/91/526236691.db2.gz WPYQCIAXWPWKSZ-SNVBAGLBSA-N 2 0 191.278 1.318 10 0 ADAERP Cc1c[nH+]ccc1N1CC[NH2+][C@@H](C)C1 70046083 526236834 /nfs/dbraw/zinc/23/68/34/526236834.db2.gz LUONNSFFFMTTEZ-JTQLQIEISA-N 2 0 191.278 1.188 10 0 ADAERP Cc1c[nH+]ccc1N1CCC[C@H]([NH3+])C1 70047554 526237089 /nfs/dbraw/zinc/23/70/89/526237089.db2.gz WPYQCIAXWPWKSZ-JTQLQIEISA-N 2 0 191.278 1.318 10 0 ADAERP Cc1c[nH+]ccc1N1CC[NH2+][C@H](C)C1 70046081 526237249 /nfs/dbraw/zinc/23/72/49/526237249.db2.gz LUONNSFFFMTTEZ-SNVBAGLBSA-N 2 0 191.278 1.188 10 0 ADAERP Cc1c[nH+]ccc1NC[C@H]1CC[NH2+]C1 87655240 526242071 /nfs/dbraw/zinc/24/20/71/526242071.db2.gz AWAPOACPTPQZJL-JTQLQIEISA-N 2 0 191.278 1.411 10 0 ADAERP Cc1c[nH+]ccc1NC[C@@H]1CC[NH2+]C1 87655239 526242161 /nfs/dbraw/zinc/24/21/61/526242161.db2.gz AWAPOACPTPQZJL-SNVBAGLBSA-N 2 0 191.278 1.411 10 0 ADAERP Cc1c[nH+]ccc1N[C@H]1CCC[NH2+]C1 70047647 526242711 /nfs/dbraw/zinc/24/27/11/526242711.db2.gz VKGFIICTUWBLSV-JTQLQIEISA-N 2 0 191.278 1.554 10 0 ADAERP Cc1c[nH+]ccc1N[C@@H]1CC[NH2+]C1 70047586 526243034 /nfs/dbraw/zinc/24/30/34/526243034.db2.gz PNFKDFODKXCCMI-SECBINFHSA-N 2 0 177.251 1.164 10 0 ADAERP Cc1c[nH+]ccc1N[C@@H]1CCC[NH2+]C1 70047645 526243105 /nfs/dbraw/zinc/24/31/05/526243105.db2.gz VKGFIICTUWBLSV-SNVBAGLBSA-N 2 0 191.278 1.554 10 0 ADAERP [NH3+]C1CCC([NH2+][C@@H]2CC=CCC2)CC1 86730765 527141285 /nfs/dbraw/zinc/14/12/85/527141285.db2.gz PJUWKJOJWQXPAJ-MOENNCHZSA-N 2 0 194.322 1.955 10 0 ADAERP