smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1C(C)=[NH+]c2c(N)cccc2N1C 100283938 534452579 /nfs/dbraw/zinc/45/25/79/534452579.db2.gz UFFZKYLMWZNDSU-UHFFFAOYSA-N 1 0 187.246 2.325 10 0 AEAERO [NH3+]CC1CC2(C1)CC1(CCC1)C2 307469614 534594055 /nfs/dbraw/zinc/59/40/55/534594055.db2.gz OQFZKZBRFFQDEY-UHFFFAOYSA-N 1 0 165.280 2.306 10 0 AEAERO C[NH2+][C@@H]1C[C@H](C)c2ccccc2N1C 196565429 536378142 /nfs/dbraw/zinc/37/81/42/536378142.db2.gz SQHHTNKOXBPVRY-CABZTGNLSA-N 1 0 190.290 2.176 10 0 AEAERO C[NH2+][C@@H]1C[C@@H](C)c2ccccc2N1C 196565422 536378611 /nfs/dbraw/zinc/37/86/11/536378611.db2.gz SQHHTNKOXBPVRY-SKDRFNHKSA-N 1 0 190.290 2.176 10 0 AEAERO CC(C)C[C@@H](C)[NH2+]CCN1CCCC1 20126822 537782385 /nfs/dbraw/zinc/78/23/85/537782385.db2.gz RDIKAASXHMPQIK-GFCCVEGCSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@H]1[NH2+]CCCn2cc(C)nc21 675068757 537777155 /nfs/dbraw/zinc/77/71/55/537777155.db2.gz SHQPUBURRMEDAB-SNVBAGLBSA-N 1 0 193.294 2.026 10 0 AEAERO CC(C)C[NH2+]C(C)(C)C(F)F 17547033 537777233 /nfs/dbraw/zinc/77/72/33/537777233.db2.gz FAWXBTAKNSZWHS-UHFFFAOYSA-N 1 0 165.227 2.276 10 0 AEAERO CC(C)(C)[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]2C1 675067849 537777841 /nfs/dbraw/zinc/77/78/41/537777841.db2.gz KAGKJCYSMVQJJP-GARJFASQSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@@H]([NH2+]CCF)C(C)(C)C 18681638 537777845 /nfs/dbraw/zinc/77/78/45/537777845.db2.gz VYKJYAJFPSRDGB-MRVPVSSYSA-N 1 0 161.264 2.370 10 0 AEAERO CC(C)[NH2+][C@@H](C)CC(F)(F)F 17408142 537777885 /nfs/dbraw/zinc/77/78/85/537777885.db2.gz HHKZTWFFLHNIIC-LURJTMIESA-N 1 0 169.190 2.325 10 0 AEAERO CC(C)[NH2+][C@H](C)CC(F)(F)F 17408144 537778601 /nfs/dbraw/zinc/77/86/01/537778601.db2.gz HHKZTWFFLHNIIC-ZCFIWIBFSA-N 1 0 169.190 2.325 10 0 AEAERO CC(C)(C)[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]2C1 675067852 537778738 /nfs/dbraw/zinc/77/87/38/537778738.db2.gz KAGKJCYSMVQJJP-OUAUKWLOSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@H]([NH2+]CCF)C(C)(C)C 18681640 537778838 /nfs/dbraw/zinc/77/88/38/537778838.db2.gz VYKJYAJFPSRDGB-QMMMGPOBSA-N 1 0 161.264 2.370 10 0 AEAERO CCC[C@@H]1[NH2+]CCCn2cc(C)nc21 675068756 537778908 /nfs/dbraw/zinc/77/89/08/537778908.db2.gz SHQPUBURRMEDAB-JTQLQIEISA-N 1 0 193.294 2.026 10 0 AEAERO CC1(C)C[C@@H]2[NH2+]CCO[C@@H]2C(C)(C)C1 675067463 537779495 /nfs/dbraw/zinc/77/94/95/537779495.db2.gz DYCREEVKERYWQW-UWVGGRQHSA-N 1 0 197.322 2.190 10 0 AEAERO Fc1cccc2c1[C@@H]([NH2+]C1CC1)C2 675070407 537779986 /nfs/dbraw/zinc/77/99/86/537779986.db2.gz XQPPQTJNHFAGNF-JTQLQIEISA-N 1 0 177.222 2.175 10 0 AEAERO CC(C)[NH2+][C@H]1Cc2cccc(F)c21 675069887 537780165 /nfs/dbraw/zinc/78/01/65/537780165.db2.gz LVIGIIGVAVVESE-JTQLQIEISA-N 1 0 179.238 2.421 10 0 AEAERO CCC1CCC2(CC1)OCC[C@@H]2[NH3+] 675069542 537780239 /nfs/dbraw/zinc/78/02/39/537780239.db2.gz HWKCGEVSUXNKSA-YVNMAJEFSA-N 1 0 183.295 2.073 10 0 AEAERO CC1(C)CCC2(CC1)OCC[C@H]2[NH3+] 675069393 537780631 /nfs/dbraw/zinc/78/06/31/537780631.db2.gz HJKKDAKKOLBREM-SECBINFHSA-N 1 0 183.295 2.073 10 0 AEAERO CC(C)[NH2+][C@@H]1Cc2ccc(F)cc21 675069138 537780649 /nfs/dbraw/zinc/78/06/49/537780649.db2.gz BZCOKMPVRFYRAV-LLVKDONJSA-N 1 0 179.238 2.421 10 0 AEAERO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 20206904 537780712 /nfs/dbraw/zinc/78/07/12/537780712.db2.gz USSSTJHBORUOND-AXFHLTTASA-N 1 0 185.311 2.188 10 0 AEAERO CC[NH2+][C@@H]1Cc2cccc(F)c21 675069845 537780766 /nfs/dbraw/zinc/78/07/66/537780766.db2.gz LBVNNYCBJULJRR-SECBINFHSA-N 1 0 165.211 2.032 10 0 AEAERO CCC1CCC2(CC1)OCC[C@H]2[NH3+] 675069541 537780776 /nfs/dbraw/zinc/78/07/76/537780776.db2.gz HWKCGEVSUXNKSA-HSOILSAZSA-N 1 0 183.295 2.073 10 0 AEAERO CC[NH2+][C@H]1Cc2ccc(F)cc21 675070237 537780794 /nfs/dbraw/zinc/78/07/94/537780794.db2.gz SYGRLFAHKNWUTO-JTQLQIEISA-N 1 0 165.211 2.032 10 0 AEAERO CCC(CC)[NH2+]Cc1cccc(=O)[nH]1 675069833 537780863 /nfs/dbraw/zinc/78/08/63/537780863.db2.gz KYQHYRNDTWRJNO-UHFFFAOYSA-N 1 0 194.278 2.065 10 0 AEAERO CCC[NH2+][C@H]1Cc2ccc(F)cc21 675070124 537780876 /nfs/dbraw/zinc/78/08/76/537780876.db2.gz PVRFMTOLUJSPFW-NSHDSACASA-N 1 0 179.238 2.423 10 0 AEAERO CC(C)C[C@H](C)[NH2+]CCN1CCCC1 20126823 537781563 /nfs/dbraw/zinc/78/15/63/537781563.db2.gz RDIKAASXHMPQIK-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@@H](C)C[NH2+]Cc1ccccn1 20091666 537781610 /nfs/dbraw/zinc/78/16/10/537781610.db2.gz KIRBHTVPMFBFDE-SNVBAGLBSA-N 1 0 178.279 2.217 10 0 AEAERO CC(C)[NH2+][C@H]1Cc2ccc(F)cc21 675069145 537781728 /nfs/dbraw/zinc/78/17/28/537781728.db2.gz BZCOKMPVRFYRAV-NSHDSACASA-N 1 0 179.238 2.421 10 0 AEAERO COCCC[NH2+][C@@H](C)CC(C)C 20142329 537781759 /nfs/dbraw/zinc/78/17/59/537781759.db2.gz YYHZAILRTKPRFE-JTQLQIEISA-N 1 0 173.300 2.047 10 0 AEAERO CC(C)[NH2+][C@@H]1Cc2cccc(F)c21 675069890 537782011 /nfs/dbraw/zinc/78/20/11/537782011.db2.gz LVIGIIGVAVVESE-SNVBAGLBSA-N 1 0 179.238 2.421 10 0 AEAERO CC[NH2+][C@@H]1Cc2ccc(F)cc21 675070238 537782027 /nfs/dbraw/zinc/78/20/27/537782027.db2.gz SYGRLFAHKNWUTO-SNVBAGLBSA-N 1 0 165.211 2.032 10 0 AEAERO CCC[C@H](C)C[NH2+]CCN1CCCC1 20127056 537782041 /nfs/dbraw/zinc/78/20/41/537782041.db2.gz SLLPWGJDMIBHPH-LBPRGKRZSA-N 1 0 198.354 2.108 10 0 AEAERO CCC(C)(C)[NH2+]Cc1cccc(=O)[nH]1 675069588 537782304 /nfs/dbraw/zinc/78/23/04/537782304.db2.gz IUDOCMLCYXZEDC-UHFFFAOYSA-N 1 0 194.278 2.065 10 0 AEAERO CC[NH2+][C@H]1Cc2cccc(F)c21 675069847 537782311 /nfs/dbraw/zinc/78/23/11/537782311.db2.gz LBVNNYCBJULJRR-VIFPVBQESA-N 1 0 165.211 2.032 10 0 AEAERO CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 20206896 537782378 /nfs/dbraw/zinc/78/23/78/537782378.db2.gz USSSTJHBORUOND-DCAQKATOSA-N 1 0 185.311 2.188 10 0 AEAERO COCCC[NH2+][C@H](C)CC(C)C 20142331 537782399 /nfs/dbraw/zinc/78/23/99/537782399.db2.gz YYHZAILRTKPRFE-SNVBAGLBSA-N 1 0 173.300 2.047 10 0 AEAERO CCC[NH2+][C@@H]1Cc2cccc(F)c21 675069219 537782438 /nfs/dbraw/zinc/78/24/38/537782438.db2.gz CWMTXVJDCVNJIX-SNVBAGLBSA-N 1 0 179.238 2.423 10 0 AEAERO CCC[NH2+][C@@H]1Cc2ccc(F)cc21 675070123 537782468 /nfs/dbraw/zinc/78/24/68/537782468.db2.gz PVRFMTOLUJSPFW-LLVKDONJSA-N 1 0 179.238 2.423 10 0 AEAERO CCC[NH2+][C@H]1Cc2cccc(F)c21 675069211 537782485 /nfs/dbraw/zinc/78/24/85/537782485.db2.gz CWMTXVJDCVNJIX-JTQLQIEISA-N 1 0 179.238 2.423 10 0 AEAERO Fc1cccc2c1[C@H]([NH2+]C1CC1)C2 675070408 537782494 /nfs/dbraw/zinc/78/24/94/537782494.db2.gz XQPPQTJNHFAGNF-SNVBAGLBSA-N 1 0 177.222 2.175 10 0 AEAERO CC1(C)CCC2(CC1)OCC[C@@H]2[NH3+] 675069400 537782529 /nfs/dbraw/zinc/78/25/29/537782529.db2.gz HJKKDAKKOLBREM-VIFPVBQESA-N 1 0 183.295 2.073 10 0 AEAERO Fc1ccc2c(c1)[C@@H]([NH2+]C1CC1)C2 675069582 537782547 /nfs/dbraw/zinc/78/25/47/537782547.db2.gz IQEYCYLTUCECRL-NSHDSACASA-N 1 0 177.222 2.175 10 0 AEAERO Fc1ccc2c(c1)[C@H]([NH2+]C1CC1)C2 675069578 537782587 /nfs/dbraw/zinc/78/25/87/537782587.db2.gz IQEYCYLTUCECRL-LLVKDONJSA-N 1 0 177.222 2.175 10 0 AEAERO CC[C@H](C)C[NH2+]Cc1ccccn1 20091668 537782914 /nfs/dbraw/zinc/78/29/14/537782914.db2.gz KIRBHTVPMFBFDE-JTQLQIEISA-N 1 0 178.279 2.217 10 0 AEAERO CC(C)C1CCC2(CC1)OCC[C@H]2[NH3+] 675070770 537783169 /nfs/dbraw/zinc/78/31/69/537783169.db2.gz SOWRIUQSLBKRKD-MOENNCHZSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@H](C)[NH2+]CCCOCC1CC1 20191024 537783190 /nfs/dbraw/zinc/78/31/90/537783190.db2.gz FVGXZJBVYCRTEP-JTQLQIEISA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@@H](C)C[NH2+]CCN1CCCC1 20127055 537783305 /nfs/dbraw/zinc/78/33/05/537783305.db2.gz SLLPWGJDMIBHPH-GFCCVEGCSA-N 1 0 198.354 2.108 10 0 AEAERO CC[C@@H](C)[NH2+]CCCOCC1CC1 20191021 537783527 /nfs/dbraw/zinc/78/35/27/537783527.db2.gz FVGXZJBVYCRTEP-SNVBAGLBSA-N 1 0 185.311 2.191 10 0 AEAERO CCN(CC[NH3+])c1cccc(Cl)c1 20239415 537783860 /nfs/dbraw/zinc/78/38/60/537783860.db2.gz MVEZDQGQACYFCR-UHFFFAOYSA-N 1 0 198.697 2.125 10 0 AEAERO CC(C)[C@H](C)[NH2+]Cc1cccn1C 20360310 537784161 /nfs/dbraw/zinc/78/41/61/537784161.db2.gz GIPMNSAJXXFTMO-JTQLQIEISA-N 1 0 180.295 2.159 10 0 AEAERO CCN(CC[NH3+])c1cccc(C)c1C 20240010 537784462 /nfs/dbraw/zinc/78/44/62/537784462.db2.gz UFUPKBQYCOKHAU-UHFFFAOYSA-N 1 0 192.306 2.088 10 0 AEAERO CC(C)[C@@H](C)[NH2+]Cc1cccn1C 20360308 537784498 /nfs/dbraw/zinc/78/44/98/537784498.db2.gz GIPMNSAJXXFTMO-SNVBAGLBSA-N 1 0 180.295 2.159 10 0 AEAERO CC(C)[NH2+]CCCOc1ccccc1 20360814 537785314 /nfs/dbraw/zinc/78/53/14/537785314.db2.gz DRNOVYRFGMCAAG-UHFFFAOYSA-N 1 0 193.290 2.454 10 0 AEAERO CCN(CC[NH3+])c1cc(C)ccc1C 20240001 537785419 /nfs/dbraw/zinc/78/54/19/537785419.db2.gz WXKUVXDTHOEZJN-UHFFFAOYSA-N 1 0 192.306 2.088 10 0 AEAERO CC(C)C1CCC2(CC1)OCC[C@@H]2[NH3+] 675070768 537785435 /nfs/dbraw/zinc/78/54/35/537785435.db2.gz SOWRIUQSLBKRKD-CXQJBGSLSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@@H](C)[NH2+]Cc1ncc(C)s1 22862412 537786167 /nfs/dbraw/zinc/78/61/67/537786167.db2.gz HMNKOTLWOXAUTC-SSDOTTSWSA-N 1 0 184.308 2.340 10 0 AEAERO Cc1cc(C2([NH3+])CC2)c(C)cc1C=O 675072211 537786872 /nfs/dbraw/zinc/78/68/72/537786872.db2.gz APKWMSPPTBUJMU-UHFFFAOYSA-N 1 0 189.258 2.064 10 0 AEAERO CCCn1nc(C)c(C[NH2+]CC)c1C 26545823 537787622 /nfs/dbraw/zinc/78/76/22/537787622.db2.gz CBAFLVJHIBGQMH-UHFFFAOYSA-N 1 0 195.310 2.019 10 0 AEAERO CC1(C)CCC2(CC1)OC[C@H]1C[C@]12[NH3+] 675073509 537788745 /nfs/dbraw/zinc/78/87/45/537788745.db2.gz KNJZBVITVXKSIH-SKDRFNHKSA-N 1 0 195.306 2.073 10 0 AEAERO CCC1CCC2(CC1)OC[C@H]1C[C@]12[NH3+] 675073259 537788856 /nfs/dbraw/zinc/78/88/56/537788856.db2.gz ICKYUBOWADWKQG-RSJDFQLWSA-N 1 0 195.306 2.073 10 0 AEAERO CCC1CCC2(CC1)OC[C@@H]1C[C@@]12[NH3+] 675073258 537788973 /nfs/dbraw/zinc/78/89/73/537788973.db2.gz ICKYUBOWADWKQG-POSLAHMBSA-N 1 0 195.306 2.073 10 0 AEAERO CC(C)C(=O)CCC[N@H+](C)C1CC1 675074801 537789293 /nfs/dbraw/zinc/78/92/93/537789293.db2.gz ASODPNJCEBUWFQ-UHFFFAOYSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@H](C)[NH2+]Cc1ncc(C)s1 22862416 537789426 /nfs/dbraw/zinc/78/94/26/537789426.db2.gz HMNKOTLWOXAUTC-ZETCQYMHSA-N 1 0 184.308 2.340 10 0 AEAERO CC(C)C(=O)CCC[N@@H+](C)C(C)C 675075292 537789723 /nfs/dbraw/zinc/78/97/23/537789723.db2.gz KUQAPNYCZVQGBS-UHFFFAOYSA-N 1 0 185.311 2.332 10 0 AEAERO CCC[N@H+](C)CCCC(=O)C(C)C 675074860 537790464 /nfs/dbraw/zinc/79/04/64/537790464.db2.gz CIGXHTFCODHEPN-UHFFFAOYSA-N 1 0 185.311 2.334 10 0 AEAERO CC1(C)CCC2(CC1)OC[C@@H]1C[C@@]12[NH3+] 675073508 537790903 /nfs/dbraw/zinc/79/09/03/537790903.db2.gz KNJZBVITVXKSIH-JOYOIKCWSA-N 1 0 195.306 2.073 10 0 AEAERO CC[C@@H]1CCCc2sc(C[NH3+])nc21 675076029 537791790 /nfs/dbraw/zinc/79/17/90/537791790.db2.gz IYDDMAVNPRGYHF-SSDOTTSWSA-N 1 0 196.319 2.432 10 0 AEAERO CC[NH+](CC)CCCC(=O)C(C)C 675075732 537792599 /nfs/dbraw/zinc/79/25/99/537792599.db2.gz UPUMBCOAGSLRRG-UHFFFAOYSA-N 1 0 185.311 2.334 10 0 AEAERO C[C@@H]1Cc2sc(C[NH3+])nc2[C@@H](C)C1 675075992 537792624 /nfs/dbraw/zinc/79/26/24/537792624.db2.gz HSWGJFFRWBBROK-BQBZGAKWSA-N 1 0 196.319 2.288 10 0 AEAERO C[C@@H]1Cc2sc(C[NH3+])nc2[C@H](C)C1 675075997 537792852 /nfs/dbraw/zinc/79/28/52/537792852.db2.gz HSWGJFFRWBBROK-NKWVEPMBSA-N 1 0 196.319 2.288 10 0 AEAERO CC[C@H](C)[NH2+]CCc1ccco1 35661567 537794531 /nfs/dbraw/zinc/79/45/31/537794531.db2.gz CMWRUUFDBMKINI-VIFPVBQESA-N 1 0 167.252 2.210 10 0 AEAERO C[C@H]1Cc2sc(C[NH3+])nc2[C@H](C)C1 675075999 537794592 /nfs/dbraw/zinc/79/45/92/537794592.db2.gz HSWGJFFRWBBROK-RNFRBKRXSA-N 1 0 196.319 2.288 10 0 AEAERO CC[C@@H](C)[NH2+]CCc1ccco1 35661566 537794745 /nfs/dbraw/zinc/79/47/45/537794745.db2.gz CMWRUUFDBMKINI-SECBINFHSA-N 1 0 167.252 2.210 10 0 AEAERO CC[C@H]1CCCc2sc(C[NH3+])nc21 675076032 537795130 /nfs/dbraw/zinc/79/51/30/537795130.db2.gz IYDDMAVNPRGYHF-ZETCQYMHSA-N 1 0 196.319 2.432 10 0 AEAERO C[C@H]1C[C@@H](C)Cc2sc(C[NH3+])nc21 675076001 537795299 /nfs/dbraw/zinc/79/52/99/537795299.db2.gz HSWGJFFRWBBROK-RQJHMYQMSA-N 1 0 196.319 2.288 10 0 AEAERO CC(C)[NH2+]C[C@@H]1C[C@H](C)O[C@H](C)C1 675075757 537795506 /nfs/dbraw/zinc/79/55/06/537795506.db2.gz FHWQPZFZLMDGGX-URLYPYJESA-N 1 0 185.311 2.188 10 0 AEAERO CCOCC[NH2+][C@@H](C)CC(C)C 35358962 537797188 /nfs/dbraw/zinc/79/71/88/537797188.db2.gz VYSNUGIWYZXKEU-JTQLQIEISA-N 1 0 173.300 2.047 10 0 AEAERO CCOCC[NH2+][C@H](C)CC(C)C 35358963 537797838 /nfs/dbraw/zinc/79/78/38/537797838.db2.gz VYSNUGIWYZXKEU-SNVBAGLBSA-N 1 0 173.300 2.047 10 0 AEAERO CCC(CC)[NH2+]C[C@@H]1CCCC[C@@H]1O 35304943 537798034 /nfs/dbraw/zinc/79/80/34/537798034.db2.gz FALXCQYRURRQBV-JQWIXIFHSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[C@H](C)C[NH2+]CCOCC 36228255 537801229 /nfs/dbraw/zinc/80/12/29/537801229.db2.gz FYYWGNIAMDAVTF-JTQLQIEISA-N 1 0 173.300 2.049 10 0 AEAERO CCC[C@H](C)C[NH2+]C1CCOCC1 36308394 537801303 /nfs/dbraw/zinc/80/13/03/537801303.db2.gz MDFIZXRJKAXUSL-JTQLQIEISA-N 1 0 185.311 2.191 10 0 AEAERO CC(C)=C(C)CCC1=C[C@@H](O)C[NH2+]C1 675078419 537801429 /nfs/dbraw/zinc/80/14/29/537801429.db2.gz YDZLVJVUWLVRSQ-GFCCVEGCSA-N 1 0 195.306 2.013 10 0 AEAERO CCC[C@@H](C)C[NH2+]C1CCOCC1 36308392 537801749 /nfs/dbraw/zinc/80/17/49/537801749.db2.gz MDFIZXRJKAXUSL-SNVBAGLBSA-N 1 0 185.311 2.191 10 0 AEAERO CC(C)=C(C)CCC1=C[C@H](O)C[NH2+]C1 675078421 537802313 /nfs/dbraw/zinc/80/23/13/537802313.db2.gz YDZLVJVUWLVRSQ-LBPRGKRZSA-N 1 0 195.306 2.013 10 0 AEAERO CCC[C@@H](C)C[NH2+]CCOCC 36228253 537802925 /nfs/dbraw/zinc/80/29/25/537802925.db2.gz FYYWGNIAMDAVTF-SNVBAGLBSA-N 1 0 173.300 2.049 10 0 AEAERO C[C@@H]1C[C@@H](C)CC2(C1)OCC[C@@H]2C[NH3+] 675079737 537803027 /nfs/dbraw/zinc/80/30/27/537803027.db2.gz HNMDWHABLNMFNW-GMTAPVOTSA-N 1 0 197.322 2.177 10 0 AEAERO CC(C)C[C@@H](C)[NH2+]C1CCOCC1 36304665 537803090 /nfs/dbraw/zinc/80/30/90/537803090.db2.gz KNTOBWUXUTZURL-SNVBAGLBSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@H]1CC(C)(C)C[C@]2(C1)OCC[C@H]2[NH3+] 675079762 537803155 /nfs/dbraw/zinc/80/31/55/537803155.db2.gz HTCBBMFUYPWIAQ-FOGDFJRCSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@@H]1C[C@H]([NH3+])CC2(CC2)C1 675079457 537803163 /nfs/dbraw/zinc/80/31/63/537803163.db2.gz GGUYEVJCECZSDE-BDAKNGLRSA-N 1 0 153.269 2.304 10 0 AEAERO CC1(C)CCC[C@@]2(C1)OCC[C@H]2C[NH3+] 675079870 537803245 /nfs/dbraw/zinc/80/32/45/537803245.db2.gz IRJQNSUAFMFTRG-JQWIXIFHSA-N 1 0 197.322 2.321 10 0 AEAERO 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198.354 2.249 10 0 AEAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 40671889 537838372 /nfs/dbraw/zinc/83/83/72/537838372.db2.gz ZIZZWKZRZUEPMO-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](C)C[NH2+][C@@H]1CCCN(CC)C1 40502512 537838517 /nfs/dbraw/zinc/83/85/17/537838517.db2.gz BBUFZUUDIXHRPR-NWDGAFQWSA-N 1 0 198.354 2.106 10 0 AEAERO CC[N@@H+]1CCC(=O)[C@@]12CCCC[C@@H]2C 685953580 537839062 /nfs/dbraw/zinc/83/90/62/537839062.db2.gz IRUSOEQNSLMUGW-JQWIXIFHSA-N 1 0 195.306 2.230 10 0 AEAERO CCC(C)(C)[C@@H]1CC[C@H](O)[C@@H](C[NH3+])C1 685953717 537839357 /nfs/dbraw/zinc/83/93/57/537839357.db2.gz ZCLJXRAERLWPAB-MXWKQRLJSA-N 1 0 199.338 2.159 10 0 AEAERO Cc1ccsc1[C@H](CO)[NH2+]C(C)C 41674896 537839781 /nfs/dbraw/zinc/83/97/81/537839781.db2.gz VXXVIBHHRURKTK-VIFPVBQESA-N 1 0 199.319 2.088 10 0 AEAERO CCC(C)(C)[C@@H]1CC[C@H](O)[C@H](C[NH3+])C1 685953706 537839929 /nfs/dbraw/zinc/83/99/29/537839929.db2.gz ZCLJXRAERLWPAB-AXFHLTTASA-N 1 0 199.338 2.159 10 0 AEAERO 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CCOC[C@H](C)[NH2+][C@H](C)[C@H](C)CC 44690459 537854044 /nfs/dbraw/zinc/85/40/44/537854044.db2.gz ZTXVTVNHVFQCKH-OUAUKWLOSA-N 1 0 187.327 2.436 10 0 AEAERO CCCCC[NH2+][C@@H](C)COCC 44690477 537854398 /nfs/dbraw/zinc/85/43/98/537854398.db2.gz DSZHGMNEUVFNTN-JTQLQIEISA-N 1 0 173.300 2.191 10 0 AEAERO CCCC[N@H+](CCC[C@@H](C)O)C1CC1 45620124 537857855 /nfs/dbraw/zinc/85/78/55/537857855.db2.gz DOLRXKUESGHDQS-LLVKDONJSA-N 1 0 199.338 2.412 10 0 AEAERO CCC(CC)[NH2+]C[C@H](C)COC 45656419 537856654 /nfs/dbraw/zinc/85/66/54/537856654.db2.gz IFPAWAAFGKGWOB-VIFPVBQESA-N 1 0 173.300 2.047 10 0 AEAERO CCCCCCOCC(F)(F)C[NH3+] 685956162 537856927 /nfs/dbraw/zinc/85/69/27/537856927.db2.gz ZCZUDZVJNKKOFN-UHFFFAOYSA-N 1 0 195.253 2.177 10 0 AEAERO CCCCC[N@@H+]1CCC(=O)[C@H](C)C1 49693478 537856943 /nfs/dbraw/zinc/85/69/43/537856943.db2.gz DIOZPLIOFGJBMB-SNVBAGLBSA-N 1 0 183.295 2.088 10 0 AEAERO CC(C)[N@H+](CCC[C@H](C)O)CC1CC1 45620544 537857095 /nfs/dbraw/zinc/85/70/95/537857095.db2.gz PGDKLSUILZIMFC-NSHDSACASA-N 1 0 199.338 2.268 10 0 AEAERO CCCCC[N@@H+]1CCC(=O)[C@@H](C)C1 49693479 537857415 /nfs/dbraw/zinc/85/74/15/537857415.db2.gz DIOZPLIOFGJBMB-JTQLQIEISA-N 1 0 183.295 2.088 10 0 AEAERO CC(C)[N@H+](CCC[C@@H](C)O)CC1CC1 45620541 537857764 /nfs/dbraw/zinc/85/77/64/537857764.db2.gz PGDKLSUILZIMFC-LLVKDONJSA-N 1 0 199.338 2.268 10 0 AEAERO CCCCC[NH2+]C[C@H](C)COC 45656936 537858752 /nfs/dbraw/zinc/85/87/52/537858752.db2.gz CFEIRORTWDWDNO-JTQLQIEISA-N 1 0 173.300 2.049 10 0 AEAERO CCC(CC)[NH2+]C[C@@H](C)COC 45656417 537858706 /nfs/dbraw/zinc/85/87/06/537858706.db2.gz IFPAWAAFGKGWOB-SECBINFHSA-N 1 0 173.300 2.047 10 0 AEAERO CC(C)C[C@H](C)[NH2+]CCOC(C)C 49259415 537859605 /nfs/dbraw/zinc/85/96/05/537859605.db2.gz DWUZDFRSBZVWOB-NSHDSACASA-N 1 0 187.327 2.436 10 0 AEAERO CC(C)C[C@@H](C)[NH2+]CCOC(C)C 49259413 537860405 /nfs/dbraw/zinc/86/04/05/537860405.db2.gz DWUZDFRSBZVWOB-LLVKDONJSA-N 1 0 187.327 2.436 10 0 AEAERO CC[C@H](C)[NH2+]C[C@H]1C[C@@]1(CO)C(C)C 685960826 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DXTOPSHGQPLDIU-SDDRHHMPSA-N 1 0 199.338 2.029 10 0 AEAERO CC[C@H](C)[NH2+]C[C@H]1C[C@]1(CO)C(C)C 685960829 537864815 /nfs/dbraw/zinc/86/48/15/537864815.db2.gz DXTOPSHGQPLDIU-TUAOUCFPSA-N 1 0 199.338 2.029 10 0 AEAERO COCC(C)(C)CC[NH2+]C1CCC1 685960754 537864928 /nfs/dbraw/zinc/86/49/28/537864928.db2.gz BHAZVQLESQNSBU-UHFFFAOYSA-N 1 0 185.311 2.191 10 0 AEAERO CCCC[NH2+]CCC(C)(C)COC 685961043 537865830 /nfs/dbraw/zinc/86/58/30/537865830.db2.gz NIBFANMSULHJBE-UHFFFAOYSA-N 1 0 187.327 2.439 10 0 AEAERO CC[NH2+]CCC1(CCOC)CCC1 685961680 537865994 /nfs/dbraw/zinc/86/59/94/537865994.db2.gz UWHHSIASORWOQV-UHFFFAOYSA-N 1 0 185.311 2.193 10 0 AEAERO C[C@H]1CC[C@@H](C)[C@@H](C)[C@H]1C[NH3+] 685961306 537866827 /nfs/dbraw/zinc/86/68/27/537866827.db2.gz QCGOHHWZMSGGLC-RGOKHQFPSA-N 1 0 155.285 2.263 10 0 AEAERO C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1C[NH3+] 685961305 537867483 /nfs/dbraw/zinc/86/74/83/537867483.db2.gz QCGOHHWZMSGGLC-KATARQTJSA-N 1 0 155.285 2.263 10 0 AEAERO CC[C@H](C)[NH2+]CCC(C)(C)COC 685961458 537867557 /nfs/dbraw/zinc/86/75/57/537867557.db2.gz ROSCPPCASOBEKQ-JTQLQIEISA-N 1 0 187.327 2.437 10 0 AEAERO CC[C@@H](C)[NH2+]CCC(C)(C)COC 685961459 537867612 /nfs/dbraw/zinc/86/76/12/537867612.db2.gz ROSCPPCASOBEKQ-SNVBAGLBSA-N 1 0 187.327 2.437 10 0 AEAERO C[C@H]1CC[C@@H](C)[C@H](C)[C@@H]1C[NH3+] 685961308 537867686 /nfs/dbraw/zinc/86/76/86/537867686.db2.gz QCGOHHWZMSGGLC-XFWSIPNHSA-N 1 0 155.285 2.263 10 0 AEAERO COCCC1(CC[NH2+]C2CC2)CCC1 685961500 537868537 /nfs/dbraw/zinc/86/85/37/537868537.db2.gz RYCCQAWLFBSDBH-UHFFFAOYSA-N 1 0 197.322 2.335 10 0 AEAERO C[C@H]1CC[C@@H](C)[C@@H](C)[C@@H]1C[NH3+] 685961307 537868969 /nfs/dbraw/zinc/86/89/69/537868969.db2.gz QCGOHHWZMSGGLC-UTINFBMNSA-N 1 0 155.285 2.263 10 0 AEAERO CCC(C)(C)[NH2+]CC[C@H](CO)C1CC1 685963450 537869386 /nfs/dbraw/zinc/86/93/86/537869386.db2.gz OPQGXZASDGSRFZ-LLVKDONJSA-N 1 0 199.338 2.173 10 0 AEAERO C[NH2+]CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 685963133 537869437 /nfs/dbraw/zinc/86/94/37/537869437.db2.gz HHVWGHDPSFJYKD-GRYCIOLGSA-N 1 0 199.338 2.031 10 0 AEAERO CC[NH2+]CC[C@@H](CO)C1CCCCC1 685963167 537869454 /nfs/dbraw/zinc/86/94/54/537869454.db2.gz IEYTUCITDVENCN-LBPRGKRZSA-N 1 0 199.338 2.175 10 0 AEAERO CCC[NH2+]CC[C@H](CO)C1CCCC1 685963094 537869593 /nfs/dbraw/zinc/86/95/93/537869593.db2.gz GJFKQQZBTBQEIW-GFCCVEGCSA-N 1 0 199.338 2.175 10 0 AEAERO C[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@@H]1C 685963091 537869601 /nfs/dbraw/zinc/86/96/01/537869601.db2.gz GIWDXSMFKKYPHI-QJPTWQEYSA-N 1 0 199.338 2.031 10 0 AEAERO CCC[NH2+]CC[C@@H](CO)C1CCCC1 685963095 537869839 /nfs/dbraw/zinc/86/98/39/537869839.db2.gz GJFKQQZBTBQEIW-LBPRGKRZSA-N 1 0 199.338 2.175 10 0 AEAERO CCC(CC)[NH2+]CC[C@@H](CO)C1CC1 685963131 537870311 /nfs/dbraw/zinc/87/03/11/537870311.db2.gz HHATUWCRRMHHQN-NSHDSACASA-N 1 0 199.338 2.173 10 0 AEAERO C[NH2+]CC[C@H](CO)[C@H]1CCC[C@H](C)C1 685963136 537870378 /nfs/dbraw/zinc/87/03/78/537870378.db2.gz HHVWGHDPSFJYKD-SDDRHHMPSA-N 1 0 199.338 2.031 10 0 AEAERO C[NH2+]CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 685963134 537870603 /nfs/dbraw/zinc/87/06/03/537870603.db2.gz HHVWGHDPSFJYKD-IJLUTSLNSA-N 1 0 199.338 2.031 10 0 AEAERO C[NH2+]CC[C@H](CO)[C@@H]1CCC[C@H](C)C1 685963135 537870674 /nfs/dbraw/zinc/87/06/74/537870674.db2.gz HHVWGHDPSFJYKD-QJPTWQEYSA-N 1 0 199.338 2.031 10 0 AEAERO C[NH2+]CC[C@@H](CO)C1CCCCCC1 685963352 537870768 /nfs/dbraw/zinc/87/07/68/537870768.db2.gz MKSVPKHAIZRMKD-LBPRGKRZSA-N 1 0 199.338 2.175 10 0 AEAERO C[NH2+]CC[C@H](CO)C1CCCCCC1 685963351 537871067 /nfs/dbraw/zinc/87/10/67/537871067.db2.gz MKSVPKHAIZRMKD-GFCCVEGCSA-N 1 0 199.338 2.175 10 0 AEAERO CC[NH2+]CC[C@H](CO)C1CCCCC1 685963166 537871625 /nfs/dbraw/zinc/87/16/25/537871625.db2.gz IEYTUCITDVENCN-GFCCVEGCSA-N 1 0 199.338 2.175 10 0 AEAERO CCC(C)(C)[NH2+]CC[C@@H](CO)C1CC1 685963451 537871732 /nfs/dbraw/zinc/87/17/32/537871732.db2.gz OPQGXZASDGSRFZ-NSHDSACASA-N 1 0 199.338 2.173 10 0 AEAERO CCc1oc(C(C)C)cc1C[NH3+] 77075789 537871755 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C[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 252714975 538275762 /nfs/dbraw/zinc/27/57/62/538275762.db2.gz UFZUBSBQUVUJBK-USZNOCQGSA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C(C)C 252714994 538275826 /nfs/dbraw/zinc/27/58/26/538275826.db2.gz UGQXOWOLANXWPB-VWYCJHECSA-N 1 0 187.327 2.434 10 0 AEAERO CC(C)C[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 252729106 538275873 /nfs/dbraw/zinc/27/58/73/538275873.db2.gz FDTSXUJLTFPPRY-IJLUTSLNSA-N 1 0 199.338 2.314 10 0 AEAERO CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCOC1 252715537 538275904 /nfs/dbraw/zinc/27/59/04/538275904.db2.gz VXKIBQNFXYYQAY-UTUOFQBUSA-N 1 0 199.338 2.293 10 0 AEAERO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO 252714982 538275989 /nfs/dbraw/zinc/27/59/89/538275989.db2.gz UGEYUKGTTYIUHN-SDDRHHMPSA-N 1 0 199.338 2.316 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 252729107 538275995 /nfs/dbraw/zinc/27/59/95/538275995.db2.gz FDTSXUJLTFPPRY-SRVKXCTJSA-N 1 0 199.338 2.314 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](COC)C(C)C 252730715 538276065 /nfs/dbraw/zinc/27/60/65/538276065.db2.gz MNDYVDONYUDQKH-IJLUTSLNSA-N 1 0 199.338 2.436 10 0 AEAERO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C(C)C 252714993 538276073 /nfs/dbraw/zinc/27/60/73/538276073.db2.gz UGQXOWOLANXWPB-DCAQKATOSA-N 1 0 187.327 2.434 10 0 AEAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)CO 252727545 538276185 /nfs/dbraw/zinc/27/61/85/538276185.db2.gz IHEUQCUCPZHMDQ-NWDGAFQWSA-N 1 0 199.338 2.269 10 0 AEAERO CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO 252714983 538276271 /nfs/dbraw/zinc/27/62/71/538276271.db2.gz UGEYUKGTTYIUHN-SRVKXCTJSA-N 1 0 199.338 2.316 10 0 AEAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C(C)(C)C 252728784 538276355 /nfs/dbraw/zinc/27/63/55/538276355.db2.gz CUQUTTNTCYSZJT-DCAQKATOSA-N 1 0 199.338 2.314 10 0 AEAERO CCC[C@@H](C)C[N@H+](C)CC[C@H](C)O 252728786 538276503 /nfs/dbraw/zinc/27/65/03/538276503.db2.gz CVCCPWPRCNFLKA-MNOVXSKESA-N 1 0 187.327 2.125 10 0 AEAERO C[C@H](CO)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 252727116 538276525 /nfs/dbraw/zinc/27/65/25/538276525.db2.gz AGSADKZDAVNOKY-WOPDTQHZSA-N 1 0 199.338 2.125 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](COC)C1CC1 252730965 538276579 /nfs/dbraw/zinc/27/65/79/538276579.db2.gz NSLQIHWWAVKZEB-GRYCIOLGSA-N 1 0 197.322 2.190 10 0 AEAERO CCCC[C@H](C)[NH2+][C@H](C)[C@H](C)CO 252716573 538276803 /nfs/dbraw/zinc/27/68/03/538276803.db2.gz YUDSCDHTQGFNSH-OUAUKWLOSA-N 1 0 187.327 2.172 10 0 AEAERO CCC[C@H](C)C[N@H+](C)CC[C@H](C)O 252728787 538276891 /nfs/dbraw/zinc/27/68/91/538276891.db2.gz CVCCPWPRCNFLKA-QWRGUYRKSA-N 1 0 187.327 2.125 10 0 AEAERO CC[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 252729312 538276950 /nfs/dbraw/zinc/27/69/50/538276950.db2.gz GCVIDHZDMFVUKE-HBNTYKKESA-N 1 0 185.311 2.332 10 0 AEAERO C[C@H](CO)[C@@H](C)[NH2+][C@H](C)C1CCCC1 252716864 538277114 /nfs/dbraw/zinc/27/71/14/538277114.db2.gz ZKCQYZXTJLYCBY-GMTAPVOTSA-N 1 0 199.338 2.172 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](COC)C(C)C 252730714 538277124 /nfs/dbraw/zinc/27/71/24/538277124.db2.gz MNDYVDONYUDQKH-GRYCIOLGSA-N 1 0 199.338 2.436 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H](C)OC 252732207 538277426 /nfs/dbraw/zinc/27/74/26/538277426.db2.gz UCEZWOFCNPQXCI-DBIOUOCHSA-N 1 0 185.311 2.188 10 0 AEAERO C[C@H]1CC[C@H]([NH2+][C@H]2CCCOC2)CC1 252732275 538277501 /nfs/dbraw/zinc/27/75/01/538277501.db2.gz UJMTYHQJVCSGCW-SRVKXCTJSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCOC2)CC1 252732274 538277532 /nfs/dbraw/zinc/27/75/32/538277532.db2.gz UJMTYHQJVCSGCW-IJLUTSLNSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]1C 252745261 538277576 /nfs/dbraw/zinc/27/75/76/538277576.db2.gz OZBZZXBQPYRTLF-ZDCRXTMVSA-N 1 0 167.296 2.421 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CC[C@H](O)CC1 252742028 538277637 /nfs/dbraw/zinc/27/76/37/538277637.db2.gz MLBGRZRRQIRMIF-SRVKXCTJSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)COC 252731576 538278167 /nfs/dbraw/zinc/27/81/67/538278167.db2.gz QOYGZBGPOXQKPR-MXWKQRLJSA-N 1 0 185.311 2.190 10 0 AEAERO CCC[C@@H](C)C[N@@H+]1CCC[C@](C)(O)C1 252732061 538278357 /nfs/dbraw/zinc/27/83/57/538278357.db2.gz SVMZUXVTJIOUKO-NEPJUHHUSA-N 1 0 199.338 2.269 10 0 AEAERO CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CO 252739095 538278375 /nfs/dbraw/zinc/27/83/75/538278375.db2.gz GCSNGNFIJZJAJB-SRVKXCTJSA-N 1 0 199.338 2.173 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CCOC1 252732916 538278406 /nfs/dbraw/zinc/27/84/06/538278406.db2.gz XDDCRDOQFXNPSI-USZNOCQGSA-N 1 0 197.322 2.190 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H](C)OC 252732208 538278580 /nfs/dbraw/zinc/27/85/80/538278580.db2.gz UCEZWOFCNPQXCI-MMWGEVLESA-N 1 0 185.311 2.188 10 0 AEAERO CC[C@H](C)C[NH2+]C[C@H]1C[C@H]1C 252740003 538278610 /nfs/dbraw/zinc/27/86/10/538278610.db2.gz LWXHAXWMMDMFMI-IVZWLZJFSA-N 1 0 155.285 2.278 10 0 AEAERO CCC[C@@H](C)C[NH2+][C@H]1CC[C@H](O)CC1 252742026 538278638 /nfs/dbraw/zinc/27/86/38/538278638.db2.gz MLBGRZRRQIRMIF-IJLUTSLNSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCOC1 252732915 538278649 /nfs/dbraw/zinc/27/86/49/538278649.db2.gz XDDCRDOQFXNPSI-KKOKHZNYSA-N 1 0 197.322 2.190 10 0 AEAERO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@H]1C 252738254 538278657 /nfs/dbraw/zinc/27/86/57/538278657.db2.gz AGEMFNXNAZPBRH-JFGNBEQYSA-N 1 0 190.290 2.449 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)O 252754656 538278690 /nfs/dbraw/zinc/27/86/90/538278690.db2.gz IQJQJAASFOLXBV-DCAQKATOSA-N 1 0 187.327 2.170 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1C 252745259 538278735 /nfs/dbraw/zinc/27/87/35/538278735.db2.gz OZBZZXBQPYRTLF-DBIOUOCHSA-N 1 0 167.296 2.421 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCOC1 252732917 538278783 /nfs/dbraw/zinc/27/87/83/538278783.db2.gz XDDCRDOQFXNPSI-WYUUTHIRSA-N 1 0 197.322 2.190 10 0 AEAERO Cc1ccncc1[C@H](C)[NH2+][C@H]1C[C@H]1C 252738257 538278794 /nfs/dbraw/zinc/27/87/94/538278794.db2.gz AGEMFNXNAZPBRH-SCVCMEIPSA-N 1 0 190.290 2.449 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@H](C)C[C@H](C)O 252754655 538279032 /nfs/dbraw/zinc/27/90/32/538279032.db2.gz IQJQJAASFOLXBV-AXFHLTTASA-N 1 0 187.327 2.170 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CCC[C@](C)(O)C1 252732062 538279173 /nfs/dbraw/zinc/27/91/73/538279173.db2.gz SVMZUXVTJIOUKO-RYUDHWBXSA-N 1 0 199.338 2.269 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)COC 252731575 538279459 /nfs/dbraw/zinc/27/94/59/538279459.db2.gz QOYGZBGPOXQKPR-GMTAPVOTSA-N 1 0 185.311 2.190 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCSC1 252731879 538279472 /nfs/dbraw/zinc/27/94/72/538279472.db2.gz SAMAVOHUWQGNRZ-KXUCPTDWSA-N 1 0 185.336 2.270 10 0 AEAERO CC[C@H](C)C[NH2+]C[C@@H]1C[C@H]1C 252740001 538279516 /nfs/dbraw/zinc/27/95/16/538279516.db2.gz LWXHAXWMMDMFMI-AEJSXWLSSA-N 1 0 155.285 2.278 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H](C)OC 252732209 538279536 /nfs/dbraw/zinc/27/95/36/538279536.db2.gz UCEZWOFCNPQXCI-YTWAJWBKSA-N 1 0 185.311 2.188 10 0 AEAERO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CO 252739094 538279633 /nfs/dbraw/zinc/27/96/33/538279633.db2.gz GCSNGNFIJZJAJB-SDDRHHMPSA-N 1 0 199.338 2.173 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C 252745260 538279675 /nfs/dbraw/zinc/27/96/75/538279675.db2.gz OZBZZXBQPYRTLF-GWOFURMSSA-N 1 0 167.296 2.421 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H](C)[C@H](C)CO 252761256 538280163 /nfs/dbraw/zinc/28/01/63/538280163.db2.gz XNGBQAPLRHHWTR-AXFHLTTASA-N 1 0 187.327 2.029 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 252764630 538280237 /nfs/dbraw/zinc/28/02/37/538280237.db2.gz IAYNCFHHXCHJIW-WEDXCCLWSA-N 1 0 193.294 2.025 10 0 AEAERO CCC[C@H]1CCCC[N@@H+]1C[C@H](C)CO 252803751 538280267 /nfs/dbraw/zinc/28/02/67/538280267.db2.gz CCIRNVIQMSQSAZ-RYUDHWBXSA-N 1 0 199.338 2.269 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)O 252762473 538280528 /nfs/dbraw/zinc/28/05/28/538280528.db2.gz NKPQVJVJHWSWCA-DCAQKATOSA-N 1 0 187.327 2.172 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H](C)C[C@H](C)O 252762471 538281267 /nfs/dbraw/zinc/28/12/67/538281267.db2.gz NKPQVJVJHWSWCA-AXFHLTTASA-N 1 0 187.327 2.172 10 0 AEAERO CC[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)O 252804490 538281485 /nfs/dbraw/zinc/28/14/85/538281485.db2.gz ASSHLYHUOBQLNR-GARJFASQSA-N 1 0 185.311 2.020 10 0 AEAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 252804739 538281497 /nfs/dbraw/zinc/28/14/97/538281497.db2.gz DLYAEDIUQDRYIQ-VWYCJHECSA-N 1 0 199.338 2.172 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H](C)[C@H](C)CO 252761258 538281522 /nfs/dbraw/zinc/28/15/22/538281522.db2.gz XNGBQAPLRHHWTR-HBNTYKKESA-N 1 0 187.327 2.029 10 0 AEAERO CC[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](C)O 252804488 538281560 /nfs/dbraw/zinc/28/15/60/538281560.db2.gz ASSHLYHUOBQLNR-AXFHLTTASA-N 1 0 185.311 2.020 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCOC1 252762405 538281572 /nfs/dbraw/zinc/28/15/72/538281572.db2.gz YUTAXHIMPWFEPQ-SRVKXCTJSA-N 1 0 199.338 2.437 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C 252764628 538281699 /nfs/dbraw/zinc/28/16/99/538281699.db2.gz IAYNCFHHXCHJIW-KHQFGBGNSA-N 1 0 193.294 2.025 10 0 AEAERO C[C@H](CO)[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 252804738 538281721 /nfs/dbraw/zinc/28/17/21/538281721.db2.gz DLYAEDIUQDRYIQ-MXWKQRLJSA-N 1 0 199.338 2.172 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H](C)[C@H]1CCOC1 252762406 538281746 /nfs/dbraw/zinc/28/17/46/538281746.db2.gz YUTAXHIMPWFEPQ-TUAOUCFPSA-N 1 0 199.338 2.437 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)O)C1 252776653 538281791 /nfs/dbraw/zinc/28/17/91/538281791.db2.gz OLMXPCDIKSPARM-SRVKXCTJSA-N 1 0 199.338 2.125 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 252776652 538281802 /nfs/dbraw/zinc/28/18/02/538281802.db2.gz OLMXPCDIKSPARM-SDDRHHMPSA-N 1 0 199.338 2.125 10 0 AEAERO CC[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O 252804489 538281831 /nfs/dbraw/zinc/28/18/31/538281831.db2.gz ASSHLYHUOBQLNR-DCAQKATOSA-N 1 0 185.311 2.020 10 0 AEAERO CCC[C@@H]1CCCC[N@@H+]1C[C@H](C)CO 252803750 538281907 /nfs/dbraw/zinc/28/19/07/538281907.db2.gz CCIRNVIQMSQSAZ-NWDGAFQWSA-N 1 0 199.338 2.269 10 0 AEAERO 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JPNOPDRTSVECFB-NEPJUHHUSA-N 1 0 197.322 2.357 10 0 AEAERO CC(C)C[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 389263791 538439915 /nfs/dbraw/zinc/43/99/15/538439915.db2.gz IRXZDSICPIMCOE-CMPLNLGQSA-N 1 0 199.338 2.172 10 0 AEAERO CC(C)[C@](C)(CO)[NH2+]CC1CCCC1 389259425 538439953 /nfs/dbraw/zinc/43/99/53/538439953.db2.gz HJGRVTFPJAPRBT-LBPRGKRZSA-N 1 0 199.338 2.173 10 0 AEAERO CC(C)[C@@](C)(CO)[NH2+]CC1CCCC1 389259424 538440022 /nfs/dbraw/zinc/44/00/22/538440022.db2.gz HJGRVTFPJAPRBT-GFCCVEGCSA-N 1 0 199.338 2.173 10 0 AEAERO CCC[C@@H](C)C[NH2+]C[C@@](C)(O)C1CC1 389271864 538440176 /nfs/dbraw/zinc/44/01/76/538440176.db2.gz MCCLSUZLXLVVAL-ZYHUDNBSSA-N 1 0 199.338 2.173 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@@]1(C)CCCO1 389257476 538440071 /nfs/dbraw/zinc/44/00/71/538440071.db2.gz GUTLPGKAIBSJSD-DDHJBXDOSA-N 1 0 197.322 2.190 10 0 AEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCN(C)C 389271297 538440241 /nfs/dbraw/zinc/44/02/41/538440241.db2.gz LVLXOCKLIMCVCP-VXGBXAGGSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@@](C)(O)C1CC1 389271854 538440179 /nfs/dbraw/zinc/44/01/79/538440179.db2.gz MCCLSUZLXLVVAL-CMPLNLGQSA-N 1 0 199.338 2.173 10 0 AEAERO CC(C)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCO1 389275561 538440183 /nfs/dbraw/zinc/44/01/83/538440183.db2.gz OLSQORCPSNRAEP-UTUOFQBUSA-N 1 0 199.338 2.436 10 0 AEAERO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C 389282260 538440442 /nfs/dbraw/zinc/44/04/42/538440442.db2.gz SJEXLQSDODGEGC-DBIOUOCHSA-N 1 0 199.338 2.434 10 0 AEAERO CC[C@@H](CO)[NH2+][C@H]1CC[C@H]1C(C)(C)C 389275164 538440446 /nfs/dbraw/zinc/44/04/46/538440446.db2.gz OFNOAROUENYMEA-AXFHLTTASA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@@H](CO)[NH2+][C@H]1CC[C@@H]1C(C)(C)C 389275165 538440447 /nfs/dbraw/zinc/44/04/47/538440447.db2.gz OFNOAROUENYMEA-DCAQKATOSA-N 1 0 199.338 2.172 10 0 AEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC1 389292766 538440339 /nfs/dbraw/zinc/44/03/39/538440339.db2.gz DCUUNUMXOLMOQY-WOPDTQHZSA-N 1 0 197.322 2.334 10 0 AEAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C 389282263 538440303 /nfs/dbraw/zinc/44/03/03/538440303.db2.gz SJEXLQSDODGEGC-LMLFDSFASA-N 1 0 199.338 2.434 10 0 AEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCN(C)C 389271296 538440387 /nfs/dbraw/zinc/44/03/87/538440387.db2.gz LVLXOCKLIMCVCP-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CC(C)C(C)(C)C[NH2+]Cc1cn[nH]c1 389268285 538440440 /nfs/dbraw/zinc/44/04/40/538440440.db2.gz KNUITEPTFYMEJF-UHFFFAOYSA-N 1 0 195.310 2.182 10 0 AEAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)C1CCOCC1 389294096 538440459 /nfs/dbraw/zinc/44/04/59/538440459.db2.gz FETTWNPKWCZMRL-USWWRNFRSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)C1CCOCC1 389294099 538440476 /nfs/dbraw/zinc/44/04/76/538440476.db2.gz FETTWNPKWCZMRL-ZMLRMANQSA-N 1 0 197.322 2.190 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@](C)(O)C1CC1 389271855 538440480 /nfs/dbraw/zinc/44/04/80/538440480.db2.gz MCCLSUZLXLVVAL-JQWIXIFHSA-N 1 0 199.338 2.173 10 0 AEAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C 389282265 538440504 /nfs/dbraw/zinc/44/05/04/538440504.db2.gz SJEXLQSDODGEGC-YTWAJWBKSA-N 1 0 199.338 2.434 10 0 AEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCN(C)C 389271293 538440575 /nfs/dbraw/zinc/44/05/75/538440575.db2.gz LVLXOCKLIMCVCP-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCN(C)C 389271294 538440581 /nfs/dbraw/zinc/44/05/81/538440581.db2.gz LVLXOCKLIMCVCP-NWDGAFQWSA-N 1 0 198.354 2.106 10 0 AEAERO CC(C)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCO1 389275562 538440623 /nfs/dbraw/zinc/44/06/23/538440623.db2.gz OLSQORCPSNRAEP-WOPDTQHZSA-N 1 0 199.338 2.436 10 0 AEAERO CC(C)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCO1 389275559 538440717 /nfs/dbraw/zinc/44/07/17/538440717.db2.gz OLSQORCPSNRAEP-GRYCIOLGSA-N 1 0 199.338 2.436 10 0 AEAERO CC(C)[C@H](C)C[NH2+][C@H](C)[C@H]1CCCO1 389275560 538440725 /nfs/dbraw/zinc/44/07/25/538440725.db2.gz OLSQORCPSNRAEP-IJLUTSLNSA-N 1 0 199.338 2.436 10 0 AEAERO CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]1C(C)(C)C 389275167 538440751 /nfs/dbraw/zinc/44/07/51/538440751.db2.gz OFNOAROUENYMEA-HBNTYKKESA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@@H](C[NH2+]C1CC(C(C)C)C1)OC 389297052 538440801 /nfs/dbraw/zinc/44/08/01/538440801.db2.gz KLLVCMBKMFHPJK-MCIGGMRASA-N 1 0 199.338 2.436 10 0 AEAERO CC[C@H](C[NH2+]C1CC(C(C)C)C1)OC 389297050 538440803 /nfs/dbraw/zinc/44/08/03/538440803.db2.gz KLLVCMBKMFHPJK-HTAVTVPLSA-N 1 0 199.338 2.436 10 0 AEAERO CC(C)[C@@H](C)C[NH2+]CC[C@H]1CCOC1 389372827 538440963 /nfs/dbraw/zinc/44/09/63/538440963.db2.gz YUMYOTMKHKHEKF-RYUDHWBXSA-N 1 0 199.338 2.295 10 0 AEAERO CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C 389361573 538440868 /nfs/dbraw/zinc/44/08/68/538440868.db2.gz SJEXLQSDODGEGC-ZDCRXTMVSA-N 1 0 199.338 2.434 10 0 AEAERO CC(C)C([NH2+]Cc1cocn1)C(C)C 389356906 538440870 /nfs/dbraw/zinc/44/08/70/538440870.db2.gz QSHVTFNCOQJAGX-UHFFFAOYSA-N 1 0 196.294 2.445 10 0 AEAERO C[NH2+]Cc1ccc(CSC)cc1 392855087 538440882 /nfs/dbraw/zinc/44/08/82/538440882.db2.gz GRHLGUKGWWTWJR-UHFFFAOYSA-N 1 0 181.304 2.269 10 0 AEAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C 389361563 538440910 /nfs/dbraw/zinc/44/09/10/538440910.db2.gz SJEXLQSDODGEGC-MMWGEVLESA-N 1 0 199.338 2.434 10 0 AEAERO CC(C)[C@H](C)C[NH2+]CC[C@H]1CCOC1 389372820 538440934 /nfs/dbraw/zinc/44/09/34/538440934.db2.gz YUMYOTMKHKHEKF-NEPJUHHUSA-N 1 0 199.338 2.295 10 0 AEAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C 389361571 538441108 /nfs/dbraw/zinc/44/11/08/538441108.db2.gz SJEXLQSDODGEGC-UKKRHICBSA-N 1 0 199.338 2.434 10 0 AEAERO CC/C=C\CC[NH2+][C@H](C)c1cn[nH]c1 389348349 538441114 /nfs/dbraw/zinc/44/11/14/538441114.db2.gz MWPUQHBKXPGEIR-UMCURTJPSA-N 1 0 193.294 2.417 10 0 AEAERO CC/C=C/CC[NH2+][C@H](C)c1cn[nH]c1 389348348 538441117 /nfs/dbraw/zinc/44/11/17/538441117.db2.gz MWPUQHBKXPGEIR-ORAHPGNNSA-N 1 0 193.294 2.417 10 0 AEAERO CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C 389361556 538441119 /nfs/dbraw/zinc/44/11/19/538441119.db2.gz SJEXLQSDODGEGC-LNFKQOIKSA-N 1 0 199.338 2.434 10 0 AEAERO CC[C@@H]([NH2+]Cc1[nH]ncc1C)C(C)C 389340381 538441137 /nfs/dbraw/zinc/44/11/37/538441137.db2.gz XYXAORGPKJCPTB-SNVBAGLBSA-N 1 0 195.310 2.242 10 0 AEAERO CC/C=C\CC[NH2+][C@@H](C)c1cn[nH]c1 389348347 538441153 /nfs/dbraw/zinc/44/11/53/538441153.db2.gz MWPUQHBKXPGEIR-LWTINBJPSA-N 1 0 193.294 2.417 10 0 AEAERO CC(C)[C@@H](C)C[NH2+]CC[C@@H]1CCOC1 389372821 538441276 /nfs/dbraw/zinc/44/12/76/538441276.db2.gz YUMYOTMKHKHEKF-NWDGAFQWSA-N 1 0 199.338 2.295 10 0 AEAERO CC(C)[C@H](C)C[NH2+]CC[C@@H]1CCOC1 389372831 538441314 /nfs/dbraw/zinc/44/13/14/538441314.db2.gz YUMYOTMKHKHEKF-VXGBXAGGSA-N 1 0 199.338 2.295 10 0 AEAERO CC/C=C/CC[NH2+][C@@H](C)c1cn[nH]c1 389348350 538441317 /nfs/dbraw/zinc/44/13/17/538441317.db2.gz MWPUQHBKXPGEIR-YEZKRMTDSA-N 1 0 193.294 2.417 10 0 AEAERO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCO1 393617607 538441379 /nfs/dbraw/zinc/44/13/79/538441379.db2.gz MRBMIMHSJJUTGB-PWSUYJOCSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCO1 393617606 538441389 /nfs/dbraw/zinc/44/13/89/538441389.db2.gz MRBMIMHSJJUTGB-JQWIXIFHSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCO1 393617605 538441391 /nfs/dbraw/zinc/44/13/91/538441391.db2.gz MRBMIMHSJJUTGB-CMPLNLGQSA-N 1 0 197.322 2.334 10 0 AEAERO CC[NH2+]CC[C@@H]1CC=CCC1 402188813 538441529 /nfs/dbraw/zinc/44/15/29/538441529.db2.gz GPJADUZNFSILQU-SNVBAGLBSA-N 1 0 153.269 2.342 10 0 AEAERO C1=CC[C@H](CC[NH2+]C2CC2)CC1 402286279 538441531 /nfs/dbraw/zinc/44/15/31/538441531.db2.gz XLKOYDMUETWTFW-JTQLQIEISA-N 1 0 165.280 2.485 10 0 AEAERO CC[NH2+]CC[C@H]1CC=CCC1 402188812 538441541 /nfs/dbraw/zinc/44/15/41/538441541.db2.gz GPJADUZNFSILQU-JTQLQIEISA-N 1 0 153.269 2.342 10 0 AEAERO C1=CC[C@@H](CC[NH2+]C2CC2)CC1 402286282 538441574 /nfs/dbraw/zinc/44/15/74/538441574.db2.gz XLKOYDMUETWTFW-SNVBAGLBSA-N 1 0 165.280 2.485 10 0 AEAERO CCC[NH2+]C1C[C@@H]2CC[C@H](C1)S2 403545137 538441627 /nfs/dbraw/zinc/44/16/27/538441627.db2.gz ISSAENRXAVLGRV-PBINXNQUSA-N 1 0 185.336 2.413 10 0 AEAERO C1CC1C[NH2+]C1C[C@@H]2CC[C@H](C1)S2 403581578 538441652 /nfs/dbraw/zinc/44/16/52/538441652.db2.gz VVVUDXHYXOPWIA-FGWVZKOKSA-N 1 0 197.347 2.413 10 0 AEAERO C1CC([NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 667555443 538442111 /nfs/dbraw/zinc/44/21/11/538442111.db2.gz BEMQCGYFWYJJBK-LSJOCFKGSA-N 1 0 165.280 2.317 10 0 AEAERO C1CC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)C1 667555442 538442205 /nfs/dbraw/zinc/44/22/05/538442205.db2.gz BEMQCGYFWYJJBK-INTQDDNPSA-N 1 0 165.280 2.317 10 0 AEAERO Cc1ccc(CC(C)C)c(C[NH3+])n1 669372428 538442324 /nfs/dbraw/zinc/44/23/24/538442324.db2.gz OYVQGIWTNZOMDE-UHFFFAOYSA-N 1 0 178.279 2.047 10 0 AEAERO CCCCc1ccc(C)nc1C[NH3+] 669372588 538442538 /nfs/dbraw/zinc/44/25/38/538442538.db2.gz SYAJPGCGBAAQFB-UHFFFAOYSA-N 1 0 178.279 2.191 10 0 AEAERO FC(F)(F)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 669371593 538442653 /nfs/dbraw/zinc/44/26/53/538442653.db2.gz JCVBAOQMNJSKLO-IEESLHIDSA-N 1 0 193.212 2.469 10 0 AEAERO CC1(C)Cc2ccc(C[NH3+])cc2C1 669371963 538442741 /nfs/dbraw/zinc/44/27/41/538442741.db2.gz CUIDSBJKCOXGHL-UHFFFAOYSA-N 1 0 175.275 2.270 10 0 AEAERO CC[C@H](C[NH3+])[C@@H](O)CCCC(C)C 669377536 538444091 /nfs/dbraw/zinc/44/40/91/538444091.db2.gz SLMNZLSGQKCPKS-MNOVXSKESA-N 1 0 187.327 2.159 10 0 AEAERO CC(C)CCC[C@@H](O)C(C)(C)C[NH3+] 669377386 538443717 /nfs/dbraw/zinc/44/37/17/538443717.db2.gz OKYIEEATLINTDK-SNVBAGLBSA-N 1 0 187.327 2.159 10 0 AEAERO CC(C)CCC[C@H](O)C(C)(C)C[NH3+] 669377385 538443769 /nfs/dbraw/zinc/44/37/69/538443769.db2.gz OKYIEEATLINTDK-JTQLQIEISA-N 1 0 187.327 2.159 10 0 AEAERO CC[C@H](C[NH3+])[C@H](O)CCCC(C)C 669377535 538444022 /nfs/dbraw/zinc/44/40/22/538444022.db2.gz SLMNZLSGQKCPKS-GHMZBOCLSA-N 1 0 187.327 2.159 10 0 AEAERO CC[C@@H](C[NH3+])[C@@H](O)CCCC(C)C 669377537 538444190 /nfs/dbraw/zinc/44/41/90/538444190.db2.gz SLMNZLSGQKCPKS-QWRGUYRKSA-N 1 0 187.327 2.159 10 0 AEAERO CC[C@@H](C[NH3+])[C@H](O)CCCC(C)C 669377538 538444200 /nfs/dbraw/zinc/44/42/00/538444200.db2.gz SLMNZLSGQKCPKS-WDEREUQCSA-N 1 0 187.327 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/nfs/dbraw/zinc/30/33/06/541303306.db2.gz BIKLEUQKQBNHEO-JTQLQIEISA-N 1 0 185.311 2.057 10 0 AEAERO COCC(C)(C)CC[NH2+]CC(C)C 87957603 541303369 /nfs/dbraw/zinc/30/33/69/541303369.db2.gz AGMAIXAYXLYNBP-UHFFFAOYSA-N 1 0 187.327 2.295 10 0 AEAERO COCC(C)(C)CC[NH2+]C(C)C 87957396 541303553 /nfs/dbraw/zinc/30/35/53/541303553.db2.gz VXJVQVATTBTKJI-UHFFFAOYSA-N 1 0 173.300 2.047 10 0 AEAERO CCCCC[C@](C)(O)[C@H](CC)C[NH3+] 87650165 541303569 /nfs/dbraw/zinc/30/35/69/541303569.db2.gz ODZIHBPPIWMJQI-MNOVXSKESA-N 1 0 187.327 2.303 10 0 AEAERO CCCCC[C@](C)(O)C(C)(C)C[NH3+] 87650145 541303600 /nfs/dbraw/zinc/30/36/00/541303600.db2.gz JVFPVQKYBYKFQF-NSHDSACASA-N 1 0 187.327 2.303 10 0 AEAERO COCC(C)(C)CC[NH2+]C(C)(C)C 87957552 541303692 /nfs/dbraw/zinc/30/36/92/541303692.db2.gz DGKVBPWLXFMSPG-UHFFFAOYSA-N 1 0 187.327 2.437 10 0 AEAERO CCCCC[C@@](C)(O)[C@H](CC)C[NH3+] 87650166 541303761 /nfs/dbraw/zinc/30/37/61/541303761.db2.gz ODZIHBPPIWMJQI-GHMZBOCLSA-N 1 0 187.327 2.303 10 0 AEAERO CCCCC[C@@](C)(O)C(C)(C)C[NH3+] 87650146 541304036 /nfs/dbraw/zinc/30/40/36/541304036.db2.gz JVFPVQKYBYKFQF-LLVKDONJSA-N 1 0 187.327 2.303 10 0 AEAERO CCC[NH2+]CCC(C)(C)COC 87957310 541304296 /nfs/dbraw/zinc/30/42/96/541304296.db2.gz MFIVHIJSFYSHFX-UHFFFAOYSA-N 1 0 173.300 2.049 10 0 AEAERO CCCCC[C@@](C)(O)[C@@H](CC)C[NH3+] 87650164 541304301 /nfs/dbraw/zinc/30/43/01/541304301.db2.gz ODZIHBPPIWMJQI-WDEREUQCSA-N 1 0 187.327 2.303 10 0 AEAERO CCCCC[C@](C)(O)[C@@H](CC)C[NH3+] 87650163 541304358 /nfs/dbraw/zinc/30/43/58/541304358.db2.gz ODZIHBPPIWMJQI-QWRGUYRKSA-N 1 0 187.327 2.303 10 0 AEAERO CCC[C@@](C)(O)C1(C[NH3+])CCCC1 87650124 541304501 /nfs/dbraw/zinc/30/45/01/541304501.db2.gz BIKLEUQKQBNHEO-SNVBAGLBSA-N 1 0 185.311 2.057 10 0 AEAERO CCC[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 144188187 541306487 /nfs/dbraw/zinc/30/64/87/541306487.db2.gz WJFAVWRNUHGOQJ-HBNTYKKESA-N 1 0 185.311 2.284 10 0 AEAERO CC[NH+](CC)CCc1nccs1 144448234 541306519 /nfs/dbraw/zinc/30/65/19/541306519.db2.gz CEOATBPQZOFPJM-UHFFFAOYSA-N 1 0 184.308 2.027 10 0 AEAERO CCC[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 144188603 541307188 /nfs/dbraw/zinc/30/71/88/541307188.db2.gz WJFAVWRNUHGOQJ-DCAQKATOSA-N 1 0 185.311 2.284 10 0 AEAERO CC[C@@H](C)C[NH2+]CCOC(C)(C)C 157723665 541308291 /nfs/dbraw/zinc/30/82/91/541308291.db2.gz DVGRIVDKXARONX-SNVBAGLBSA-N 1 0 187.327 2.437 10 0 AEAERO CC[C@H](C)C[NH2+]CCOC(C)(C)C 157723834 541308608 /nfs/dbraw/zinc/30/86/08/541308608.db2.gz DVGRIVDKXARONX-JTQLQIEISA-N 1 0 187.327 2.437 10 0 AEAERO CC(C)[C@@H]1CC[N@H+](CCC(C)(C)O)C1 157997276 541309215 /nfs/dbraw/zinc/30/92/15/541309215.db2.gz OHQIAJNDWXIKJA-LLVKDONJSA-N 1 0 199.338 2.125 10 0 AEAERO CC(C)[C@H]1CC[N@H+](CCC(C)(C)O)C1 157997414 541309280 /nfs/dbraw/zinc/30/92/80/541309280.db2.gz OHQIAJNDWXIKJA-NSHDSACASA-N 1 0 199.338 2.125 10 0 AEAERO COC[C@@H](C)C[NH2+]CC1(C)CCCC1 163337552 541311390 /nfs/dbraw/zinc/31/13/90/541311390.db2.gz UDVRCVPBOOLTFW-NSHDSACASA-N 1 0 199.338 2.439 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C 163327762 541311570 /nfs/dbraw/zinc/31/15/70/541311570.db2.gz SSPLWUIGCDHCHN-AXFHLTTASA-N 1 0 199.338 2.170 10 0 AEAERO COC[C@H](C)C[NH2+]CC1(C)CCCC1 163337672 541311881 /nfs/dbraw/zinc/31/18/81/541311881.db2.gz UDVRCVPBOOLTFW-LLVKDONJSA-N 1 0 199.338 2.439 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C 163327936 541311888 /nfs/dbraw/zinc/31/18/88/541311888.db2.gz SSPLWUIGCDHCHN-DCAQKATOSA-N 1 0 199.338 2.170 10 0 AEAERO CC(=O)CC[NH2+][C@H](C)c1ccccc1 201287823 541314203 /nfs/dbraw/zinc/31/42/03/541314203.db2.gz GNZSPAQPFODLJV-LLVKDONJSA-N 1 0 191.274 2.316 10 0 AEAERO CC(=O)CC[NH2+][C@@H](C)c1ccccc1 201287783 541314726 /nfs/dbraw/zinc/31/47/26/541314726.db2.gz GNZSPAQPFODLJV-NSHDSACASA-N 1 0 191.274 2.316 10 0 AEAERO [NH3+]CC[C@@H]1C[C@H]1Cc1ccccc1 216209552 541317016 /nfs/dbraw/zinc/31/70/16/541317016.db2.gz OMHMEIBZHYKIJZ-VXGBXAGGSA-N 1 0 175.275 2.214 10 0 AEAERO CCCCC[C@@H]1[NH2+]CCc2nc[nH]c21 219393832 541317615 /nfs/dbraw/zinc/31/76/15/541317615.db2.gz UDYQFUQPEFIJJC-VIFPVBQESA-N 1 0 193.294 2.177 10 0 AEAERO CCCCC[C@H]1[NH2+]CCc2nc[nH]c21 219393746 541317886 /nfs/dbraw/zinc/31/78/86/541317886.db2.gz UDYQFUQPEFIJJC-SECBINFHSA-N 1 0 193.294 2.177 10 0 AEAERO CCC[C@@H]1C[C@@H]1Nc1ccnc(C)n1 231662681 541321055 /nfs/dbraw/zinc/32/10/55/541321055.db2.gz OQPCVOGCAJMCLD-ZJUUUORDSA-N 1 0 191.278 2.386 10 0 AEAERO CCC[C@H]1C[C@@H]1Nc1ccnc(C)n1 231662683 541321436 /nfs/dbraw/zinc/32/14/36/541321436.db2.gz OQPCVOGCAJMCLD-UWVGGRQHSA-N 1 0 191.278 2.386 10 0 AEAERO CCC[C@H]1C[C@H]1Nc1ccnc(C)n1 231662692 541321476 /nfs/dbraw/zinc/32/14/76/541321476.db2.gz OQPCVOGCAJMCLD-VHSXEESVSA-N 1 0 191.278 2.386 10 0 AEAERO CC(C)C[N@@H+]1Cc2cccnc2C1 231608853 541321586 /nfs/dbraw/zinc/32/15/86/541321586.db2.gz BIUGXXGGTKPVSG-UHFFFAOYSA-N 1 0 176.263 2.053 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+]CC1CC1 231673816 541321694 /nfs/dbraw/zinc/32/16/94/541321694.db2.gz ZZJCFCLYVBMZCI-NXEZZACHSA-N 1 0 153.269 2.175 10 0 AEAERO CCC[C@](O)(CC)C1(C[NH3+])CCC1 233363249 541322344 /nfs/dbraw/zinc/32/23/44/541322344.db2.gz NOXQEAVLJNRZGF-LLVKDONJSA-N 1 0 185.311 2.057 10 0 AEAERO CCC[C@@](O)(CC)[C@](C)(CC)C[NH3+] 233317035 541322591 /nfs/dbraw/zinc/32/25/91/541322591.db2.gz HDLGWCDJDMBNAT-MNOVXSKESA-N 1 0 187.327 2.303 10 0 AEAERO CCC[C@](O)(CC)[C@](C)(CC)C[NH3+] 233368685 541322890 /nfs/dbraw/zinc/32/28/90/541322890.db2.gz HDLGWCDJDMBNAT-GHMZBOCLSA-N 1 0 187.327 2.303 10 0 AEAERO CC[C@H](C)[C@@H](C)n1cc[nH+]c1N 234003228 541323016 /nfs/dbraw/zinc/32/30/16/541323016.db2.gz JGHQGZXRJUPNDJ-JGVFFNPUSA-N 1 0 167.256 2.072 10 0 AEAERO CCC[C@@H](C[NH3+])[C@](O)(CC)CCC 233291985 541323047 /nfs/dbraw/zinc/32/30/47/541323047.db2.gz DHKBAWIVJCEDCU-QWRGUYRKSA-N 1 0 187.327 2.303 10 0 AEAERO c1ccc([C@@H]2CNc3[nH+]ccn3C2)cc1 232557216 541323090 /nfs/dbraw/zinc/32/30/90/541323090.db2.gz OJJRUHDWBYBHDD-LLVKDONJSA-N 1 0 199.257 2.092 10 0 AEAERO CCC[C@H](C[NH3+])[C@@](O)(CC)CCC 233353717 541323256 /nfs/dbraw/zinc/32/32/56/541323256.db2.gz DHKBAWIVJCEDCU-GHMZBOCLSA-N 1 0 187.327 2.303 10 0 AEAERO CC(C)C[C@@H](C)n1cc[nH+]c1N 232585895 541323405 /nfs/dbraw/zinc/32/34/05/541323405.db2.gz QGJYTKYMPNMXEE-MRVPVSSYSA-N 1 0 167.256 2.072 10 0 AEAERO CC[C@@H](C)[C@@H](C)n1cc[nH+]c1N 233866508 541323515 /nfs/dbraw/zinc/32/35/15/541323515.db2.gz JGHQGZXRJUPNDJ-HTQZYQBOSA-N 1 0 167.256 2.072 10 0 AEAERO CC[C@@H](C)[C@H](C)n1cc[nH+]c1N 233854488 541323553 /nfs/dbraw/zinc/32/35/53/541323553.db2.gz JGHQGZXRJUPNDJ-SFYZADRCSA-N 1 0 167.256 2.072 10 0 AEAERO CCC[C@](O)(CC)[C@@](C)(CC)C[NH3+] 233367599 541323675 /nfs/dbraw/zinc/32/36/75/541323675.db2.gz HDLGWCDJDMBNAT-WDEREUQCSA-N 1 0 187.327 2.303 10 0 AEAERO c1ccc([C@H]2CCNc3[nH+]ccn32)cc1 232480196 541323712 /nfs/dbraw/zinc/32/37/12/541323712.db2.gz OGYDMWFEBLIWMS-LLVKDONJSA-N 1 0 199.257 2.288 10 0 AEAERO CCC[C@@](O)(CC)[C@@](C)(CC)C[NH3+] 233316880 541323799 /nfs/dbraw/zinc/32/37/99/541323799.db2.gz HDLGWCDJDMBNAT-QWRGUYRKSA-N 1 0 187.327 2.303 10 0 AEAERO CCC[C@H](C[NH3+])[C@](O)(CC)CCC 233353873 541323837 /nfs/dbraw/zinc/32/38/37/541323837.db2.gz DHKBAWIVJCEDCU-MNOVXSKESA-N 1 0 187.327 2.303 10 0 AEAERO c1ccc([C@H]2CNc3[nH+]ccn3C2)cc1 232557279 541323862 /nfs/dbraw/zinc/32/38/62/541323862.db2.gz OJJRUHDWBYBHDD-NSHDSACASA-N 1 0 199.257 2.092 10 0 AEAERO CC[C@H](C)[C@H](C)n1cc[nH+]c1N 234008196 541323886 /nfs/dbraw/zinc/32/38/86/541323886.db2.gz JGHQGZXRJUPNDJ-YUMQZZPRSA-N 1 0 167.256 2.072 10 0 AEAERO CC(C)C[C@H](C)n1cc[nH+]c1N 232624195 541323959 /nfs/dbraw/zinc/32/39/59/541323959.db2.gz QGJYTKYMPNMXEE-QMMMGPOBSA-N 1 0 167.256 2.072 10 0 AEAERO CCC[C@@](O)(CC)C1(C[NH3+])CCC1 233316073 541324311 /nfs/dbraw/zinc/32/43/11/541324311.db2.gz NOXQEAVLJNRZGF-NSHDSACASA-N 1 0 185.311 2.057 10 0 AEAERO CCC[C@@H](C[NH3+])[C@@](O)(CC)CCC 233291828 541324424 /nfs/dbraw/zinc/32/44/24/541324424.db2.gz DHKBAWIVJCEDCU-WDEREUQCSA-N 1 0 187.327 2.303 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H]1CO 299903699 541326433 /nfs/dbraw/zinc/32/64/33/541326433.db2.gz BBWHGPMQZXSHFI-SRVKXCTJSA-N 1 0 199.338 2.125 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H]1CO 299903696 541326695 /nfs/dbraw/zinc/32/66/95/541326695.db2.gz BBWHGPMQZXSHFI-QJPTWQEYSA-N 1 0 199.338 2.125 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H]1CO 299903698 541327002 /nfs/dbraw/zinc/32/70/02/541327002.db2.gz BBWHGPMQZXSHFI-SDDRHHMPSA-N 1 0 199.338 2.125 10 0 AEAERO C[C@@H]1CC[C@H](n2cc[nH+]c2N)C[C@H]1C 300050616 541327051 /nfs/dbraw/zinc/32/70/51/541327051.db2.gz GUPSGIWYLVRHFQ-BBBLOLIVSA-N 1 0 193.294 2.463 10 0 AEAERO C[C@H]1C[C@@H](C)C[C@H](n2cc[nH+]c2N)C1 300050610 541327302 /nfs/dbraw/zinc/32/73/02/541327302.db2.gz GQVXKIUPWQNOKO-MYJAWHEDSA-N 1 0 193.294 2.463 10 0 AEAERO C[C@@H]1CC[C@@H](n2cc[nH+]c2N)C[C@H]1C 300050617 541327429 /nfs/dbraw/zinc/32/74/29/541327429.db2.gz GUPSGIWYLVRHFQ-OPRDCNLKSA-N 1 0 193.294 2.463 10 0 AEAERO CCC[C@H](C)[C@@H]1[NH2+]CCc2nc[nH]c21 306917717 541330065 /nfs/dbraw/zinc/33/00/65/541330065.db2.gz YEDXKLKPFMXJHI-WPRPVWTQSA-N 1 0 193.294 2.033 10 0 AEAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2nc[nH]c21 306917541 541330087 /nfs/dbraw/zinc/33/00/87/541330087.db2.gz YEDXKLKPFMXJHI-SCZZXKLOSA-N 1 0 193.294 2.033 10 0 AEAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2nc[nH]c21 306917540 541330110 /nfs/dbraw/zinc/33/01/10/541330110.db2.gz YEDXKLKPFMXJHI-PSASIEDQSA-N 1 0 193.294 2.033 10 0 AEAERO CCC[C@H](C)[C@H]1[NH2+]CCc2nc[nH]c21 306917542 541330134 /nfs/dbraw/zinc/33/01/34/541330134.db2.gz YEDXKLKPFMXJHI-WCBMZHEXSA-N 1 0 193.294 2.033 10 0 AEAERO COC(C)(C)CC[NH+]1CCCCC1 379257398 541336813 /nfs/dbraw/zinc/33/68/13/541336813.db2.gz KPIQIMWUBCZHCD-UHFFFAOYSA-N 1 0 185.311 2.287 10 0 AEAERO CCC(C)(C)[NH2+]CC(C)(C)OC 379270599 541336867 /nfs/dbraw/zinc/33/68/67/541336867.db2.gz VJQRDQUCOIMMDG-UHFFFAOYSA-N 1 0 173.300 2.190 10 0 AEAERO C/C=C\C[NH2+][C@H](C)c1ccncc1 379286308 541336964 /nfs/dbraw/zinc/33/69/64/541336964.db2.gz KSJRLBSWVQEYDE-UMBAGQNISA-N 1 0 176.263 2.308 10 0 AEAERO CC(C)CC[NH2+]CC1(F)CC1 379272278 541337146 /nfs/dbraw/zinc/33/71/46/541337146.db2.gz WSPUMCLWDUTOAD-UHFFFAOYSA-N 1 0 159.248 2.124 10 0 AEAERO COCCC[NH2+]Cc1csc(C)c1 379373587 541338347 /nfs/dbraw/zinc/33/83/47/541338347.db2.gz XGAUKJZVDIQVOM-UHFFFAOYSA-N 1 0 199.319 2.183 10 0 AEAERO C[C@H](O)C[NH2+][C@@H](C)CCC(C)(C)C 379373240 541338563 /nfs/dbraw/zinc/33/85/63/541338563.db2.gz WXLISLQTBVQIPZ-UWVGGRQHSA-N 1 0 187.327 2.172 10 0 AEAERO C[C@H](O)C[NH2+][C@H](C)CCC(C)(C)C 379373243 541338738 /nfs/dbraw/zinc/33/87/38/541338738.db2.gz WXLISLQTBVQIPZ-ZJUUUORDSA-N 1 0 187.327 2.172 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@]1(C)CCOC1 381560516 541339539 /nfs/dbraw/zinc/33/95/39/541339539.db2.gz KAADCNMPAAORRG-RYUDHWBXSA-N 1 0 199.338 2.439 10 0 AEAERO CCC[C@@H](C)C[NH2+]C[C@]1(C)CCOC1 381560514 541339896 /nfs/dbraw/zinc/33/98/96/541339896.db2.gz KAADCNMPAAORRG-NEPJUHHUSA-N 1 0 199.338 2.439 10 0 AEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCCO 381562737 541339901 /nfs/dbraw/zinc/33/99/01/541339901.db2.gz UJRAIQLFEWMHRB-NWDGAFQWSA-N 1 0 199.338 2.317 10 0 AEAERO CC[C@@H](C)[C@H](O)C[NH2+]CC1(C)CCC1 381562496 541339763 /nfs/dbraw/zinc/33/97/63/541339763.db2.gz TXNKRORIXJJAKM-GHMZBOCLSA-N 1 0 199.338 2.173 10 0 AEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCCO 381562738 541339954 /nfs/dbraw/zinc/33/99/54/541339954.db2.gz UJRAIQLFEWMHRB-RYUDHWBXSA-N 1 0 199.338 2.317 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@@]1(C)CCOC1 381560515 541340112 /nfs/dbraw/zinc/34/01/12/541340112.db2.gz KAADCNMPAAORRG-NWDGAFQWSA-N 1 0 199.338 2.439 10 0 AEAERO CC[C@H](C)[C@H](O)C[NH2+]CC1(C)CCC1 381562693 541340128 /nfs/dbraw/zinc/34/01/28/541340128.db2.gz TXNKRORIXJJAKM-WDEREUQCSA-N 1 0 199.338 2.173 10 0 AEAERO COC1(C[C@@H](C)[NH2+]CC2CC2)CCC1 381645465 541340143 /nfs/dbraw/zinc/34/01/43/541340143.db2.gz VHWXSWKUMZPAJL-SNVBAGLBSA-N 1 0 197.322 2.334 10 0 AEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCCO 381562739 541340157 /nfs/dbraw/zinc/34/01/57/541340157.db2.gz UJRAIQLFEWMHRB-VXGBXAGGSA-N 1 0 199.338 2.317 10 0 AEAERO CC[C@H](C)[C@@H](O)C[NH2+]CC1(C)CCC1 381562691 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CO[C@@H](C)C[C@@H]([NH3+])Cc1cccs1 128341618 572996113 /nfs/dbraw/zinc/99/61/13/572996113.db2.gz BGGYJIRCDKLAOY-DTWKUNHWSA-N 1 0 199.319 2.043 10 0 AEAERO CC(C)[N@@H+]1CCC[C@H](/C=C\CCO)C1 258208011 572996148 /nfs/dbraw/zinc/99/61/48/572996148.db2.gz NUHKGWJBMMNESZ-RYBZSIHZSA-N 1 0 197.322 2.045 10 0 AEAERO C[C@@H](C[NH3+])CC1(C(C)(C)C)COC1 259302049 572996161 /nfs/dbraw/zinc/99/61/61/572996161.db2.gz QUIRLUYGNBVRQB-SECBINFHSA-N 1 0 185.311 2.034 10 0 AEAERO CC(C)[C@@H]([NH3+])c1ccc(N(C)C)s1 104524938 572996163 /nfs/dbraw/zinc/99/61/63/572996163.db2.gz XEVHUJGTBZGIKX-SNVBAGLBSA-N 1 0 198.335 2.470 10 0 AEAERO Cc1ccc(C[C@@H](F)[C@H](C)[NH3+])cc1 257923688 572998652 /nfs/dbraw/zinc/99/86/52/572998652.db2.gz RVIXRMOYFCXQIV-GXSJLCMTSA-N 1 0 181.254 2.223 10 0 AEAERO CSc1c(O)cccc1[C@@H](C)[NH3+] 258211961 573001282 /nfs/dbraw/zinc/00/12/82/573001282.db2.gz ZNLUKSMHTRWNOU-ZCFIWIBFSA-N 1 0 183.276 2.134 10 0 AEAERO Cc1cccc([C@@H](F)C2([NH3+])CC2)c1 257918332 573001289 /nfs/dbraw/zinc/00/12/89/573001289.db2.gz RCOKPOBGPATSMM-SNVBAGLBSA-N 1 0 179.238 2.497 10 0 AEAERO CCC(CC)(CN1CCCC1=[NH2+])OC 308471962 573001303 /nfs/dbraw/zinc/00/13/03/573001303.db2.gz IGRXFVDJFQTPOM-UHFFFAOYSA-N 1 0 198.310 2.265 10 0 AEAERO CC(C)(C)C[N@@H+]1CCC[C@H]1CCCO 128364196 573001319 /nfs/dbraw/zinc/00/13/19/573001319.db2.gz GKPZWVOXWDYTEK-NSHDSACASA-N 1 0 199.338 2.269 10 0 AEAERO C[C@H]1c2ccccc2CC[C@@H]1C[NH3+] 257918522 573001332 /nfs/dbraw/zinc/00/13/32/573001332.db2.gz AOEDGISELCPHQP-MWLCHTKSSA-N 1 0 175.275 2.311 10 0 AEAERO CCCC[NH2+][C@@H](CC)CCCCO 238243856 573001337 /nfs/dbraw/zinc/00/13/37/573001337.db2.gz GJADENIRRZQKRE-NSHDSACASA-N 1 0 187.327 2.317 10 0 AEAERO C[C@H]([NH3+])c1nc2c(s1)[C@H](F)CC2 257922288 573001353 /nfs/dbraw/zinc/00/13/53/573001353.db2.gz RPXVKNDPEDPMTH-CRCLSJGQSA-N 1 0 186.255 2.120 10 0 AEAERO CC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO 128363945 573001361 /nfs/dbraw/zinc/00/13/61/573001361.db2.gz GKPZWVOXWDYTEK-LLVKDONJSA-N 1 0 199.338 2.269 10 0 AEAERO C[C@@H]([NH3+])c1nc2c(s1)[C@@H](F)CC2 257922292 573001375 /nfs/dbraw/zinc/00/13/75/573001375.db2.gz RPXVKNDPEDPMTH-UHNVWZDZSA-N 1 0 186.255 2.120 10 0 AEAERO Nc1cc(Cl)ccc1CCCC[NH3+] 257917719 573001445 /nfs/dbraw/zinc/00/14/45/573001445.db2.gz XUDCFAVWMKGCEF-UHFFFAOYSA-N 1 0 198.697 2.204 10 0 AEAERO CCC[NH2+]C[C@H]1CCc2scnc21 308220158 573002790 /nfs/dbraw/zinc/00/27/90/573002790.db2.gz NXSKXONSHJYZDH-MRVPVSSYSA-N 1 0 196.319 2.173 10 0 AEAERO CC(C)[NH2+]C1CC2(C1)CC2(F)F 1118493833 757687632 /nfs/dbraw/zinc/68/76/32/757687632.db2.gz WXJKMIAJHNQPKD-UHFFFAOYSA-N 1 0 175.222 2.172 10 0 AEAERO COc1c(C)ccc(C)c1/C=C/C[NH3+] 258214302 573006068 /nfs/dbraw/zinc/00/60/68/573006068.db2.gz ZSTWYGYTYOKVPV-SNAWJCMRSA-N 1 0 191.274 2.284 10 0 AEAERO CCCc1cncn1[C@@H](C)CCC[NH3+] 308473082 573006072 /nfs/dbraw/zinc/00/60/72/573006072.db2.gz JIBPOUGYUGCGKP-JTQLQIEISA-N 1 0 195.310 2.136 10 0 AEAERO CC(C)([NH3+])[C@H](O)CCC1CCCC1 308213328 573006097 /nfs/dbraw/zinc/00/60/97/573006097.db2.gz XTEHZHYSGUBYPJ-SNVBAGLBSA-N 1 0 185.311 2.055 10 0 AEAERO C[C@@H]1c2cc(O)ccc2CC[C@@H]1C[NH3+] 258221295 573011223 /nfs/dbraw/zinc/01/12/23/573011223.db2.gz OTFQBXRWGBQPAB-WCBMZHEXSA-N 1 0 191.274 2.017 10 0 AEAERO CC[C@H](C[NH3+])Cc1ccc(F)c(F)c1 128386023 573011231 /nfs/dbraw/zinc/01/12/31/573011231.db2.gz ABJIMSHGAMMYFQ-QMMMGPOBSA-N 1 0 199.244 2.492 10 0 AEAERO C[C@@H](C[NH3+])[C@@H]1CCOC2(CCCC2)C1 87934518 573011237 /nfs/dbraw/zinc/01/12/37/573011237.db2.gz HIDJUNOVZKEJAC-WDEREUQCSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@@H]1CCC[C@H]([C@@H](C)C[NH3+])C1 87934536 573011304 /nfs/dbraw/zinc/01/13/04/573011304.db2.gz XBWIFPLJHIATQM-UTLUCORTSA-N 1 0 155.285 2.408 10 0 AEAERO CC[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 85418360 573011333 /nfs/dbraw/zinc/01/13/33/573011333.db2.gz FTACYQZXWNXAJU-IJLUTSLNSA-N 1 0 197.322 2.022 10 0 AEAERO C[C@H](CN1CCCC1)[NH2+]CC(C)(C)C 42598437 573011399 /nfs/dbraw/zinc/01/13/99/573011399.db2.gz LTEAPASPJFZVMA-LLVKDONJSA-N 1 0 198.354 2.106 10 0 AEAERO CCCC[C@H]1CC[NH2+][C@H]1C 113507506 573011427 /nfs/dbraw/zinc/01/14/27/573011427.db2.gz OJBMWVGFVLZXQN-IUCAKERBSA-N 1 0 141.258 2.175 10 0 AEAERO CC[C@H](C)OCn1ccc([C@@H](C)[NH3+])c1 308474467 573013089 /nfs/dbraw/zinc/01/30/89/573013089.db2.gz JUTWQENKFAIDIP-VHSXEESVSA-N 1 0 196.294 2.280 10 0 AEAERO CC[NH2+][C@@H](C)c1cnccc1OCC 308475147 573013097 /nfs/dbraw/zinc/01/30/97/573013097.db2.gz KFVXXAJIBHOFNQ-VIFPVBQESA-N 1 0 194.278 2.151 10 0 AEAERO [NH3+][C@@H]1CC[C@H]1Cc1ccc(F)cc1 87934937 573013104 /nfs/dbraw/zinc/01/31/04/573013104.db2.gz WCHJBXDHKQTOSL-GXSJLCMTSA-N 1 0 179.238 2.106 10 0 AEAERO CC[N@H+](C(C)C)[C@]1(CN)CCC1(C)C 308474737 573013106 /nfs/dbraw/zinc/01/31/06/573013106.db2.gz DDLGALHURKJUOM-LBPRGKRZSA-N 1 0 198.354 2.234 10 0 AEAERO [NH3+][C@H]1CC[C@H]1c1cccc(F)c1F 87935265 573013107 /nfs/dbraw/zinc/01/31/07/573013107.db2.gz PCALXEWLBZWJJT-RCOVLWMOSA-N 1 0 183.201 2.170 10 0 AEAERO Cc1cccc([C@@H]2CC[C@H]2[NH3+])c1 87934933 573013123 /nfs/dbraw/zinc/01/31/23/573013123.db2.gz UHNRLGKQWXHLGV-WDEREUQCSA-N 1 0 161.248 2.200 10 0 AEAERO C[C@@H]([NH3+])C[C@H]1CCOC2(CCC2)C1 87934693 573013131 /nfs/dbraw/zinc/01/31/31/573013131.db2.gz ZZXYGIHPOLREKY-NXEZZACHSA-N 1 0 183.295 2.073 10 0 AEAERO CC[C@H](C)C[C@H]1CC[C@@H]1[NH3+] 87934826 573013147 /nfs/dbraw/zinc/01/31/47/573013147.db2.gz GMOVGGPFXKXSGM-YIZRAAEISA-N 1 0 141.258 2.160 10 0 AEAERO CC(C)[C@]1(c2ccc(O)cc2)CC[NH2+]1 258219027 573013152 /nfs/dbraw/zinc/01/31/52/573013152.db2.gz ONTXTZUPWAVJQH-LBPRGKRZSA-N 1 0 191.274 2.237 10 0 AEAERO Cc1ccc(F)c([C@H]2CC[C@@H]2[NH3+])c1 87935104 573013159 /nfs/dbraw/zinc/01/31/59/573013159.db2.gz XUJFREDTOJBKDL-KCJUWKMLSA-N 1 0 179.238 2.339 10 0 AEAERO Cc1cccc([C@H]2CC[C@@H]2[NH3+])c1 87934932 573013168 /nfs/dbraw/zinc/01/31/68/573013168.db2.gz UHNRLGKQWXHLGV-MNOVXSKESA-N 1 0 161.248 2.200 10 0 AEAERO CCOc1ccc([C@@H]2CC[C@H]2[NH3+])cc1 87935057 573015524 /nfs/dbraw/zinc/01/55/24/573015524.db2.gz RRNRBIASHZVXNH-NWDGAFQWSA-N 1 0 191.274 2.290 10 0 AEAERO C[NH2+]C/C=C\Cc1ccc(F)cc1 258225844 573016281 /nfs/dbraw/zinc/01/62/81/573016281.db2.gz PEZMOPHSJVJYGI-IHWYPQMZSA-N 1 0 179.238 2.144 10 0 AEAERO CCCC[C@@H](C)[C@@H](C)C[NH3+] 87938110 573017305 /nfs/dbraw/zinc/01/73/05/573017305.db2.gz LFEVMEXDLZKXBV-BDAKNGLRSA-N 1 0 143.274 2.408 10 0 AEAERO CC[C@H](C)C(C)(C)CC[NH3+] 87937434 573017325 /nfs/dbraw/zinc/01/73/25/573017325.db2.gz DLOXECLXJYXGDD-QMMMGPOBSA-N 1 0 143.274 2.408 10 0 AEAERO C[C@H](CO)[NH2+]CC(C)(C)C(C)(C)C 308223386 573017328 /nfs/dbraw/zinc/01/73/28/573017328.db2.gz MDOJXIGQSHQRHG-SECBINFHSA-N 1 0 187.327 2.029 10 0 AEAERO Cc1ccccc1C[C@@H]1CC[C@H]1[NH3+] 87935668 573017334 /nfs/dbraw/zinc/01/73/34/573017334.db2.gz VJCFXQHOQYLRGT-NWDGAFQWSA-N 1 0 175.275 2.275 10 0 AEAERO Cc1ccc([C@@H](C)[C@@H](C)C[NH3+])cn1 87938403 573017345 /nfs/dbraw/zinc/01/73/45/573017345.db2.gz ZGQNMQFCIJRREI-WPRPVWTQSA-N 1 0 178.279 2.088 10 0 AEAERO C[C@H](c1ccsc1)[C@@H](C)C[NH3+] 87937829 573017361 /nfs/dbraw/zinc/01/73/61/573017361.db2.gz AJWZECLEKZCJSF-YUMQZZPRSA-N 1 0 169.293 2.446 10 0 AEAERO CC(C)C[C@@H](C)C(=O)C[C@H]1CC[NH2+]C1 308480204 573017369 /nfs/dbraw/zinc/01/73/69/573017369.db2.gz MNGZDQKICRTDRZ-GHMZBOCLSA-N 1 0 197.322 2.237 10 0 AEAERO [NH3+][C@H]1CC[C@H]1c1ccc(F)c(F)c1 87935598 573017382 /nfs/dbraw/zinc/01/73/82/573017382.db2.gz WSTGXZAUUOJPIS-XVKPBYJWSA-N 1 0 183.201 2.170 10 0 AEAERO COc1ccc([C@H]2CC[C@H]2[NH3+])cc1F 87935581 573017391 /nfs/dbraw/zinc/01/73/91/573017391.db2.gz MTWJSVIBHFBPKB-PSASIEDQSA-N 1 0 195.237 2.039 10 0 AEAERO CC[C@@H](C)C(C)(C)CC[NH3+] 87937431 573017403 /nfs/dbraw/zinc/01/74/03/573017403.db2.gz DLOXECLXJYXGDD-MRVPVSSYSA-N 1 0 143.274 2.408 10 0 AEAERO [NH3+][C@@H]1CC[C@H]1c1ccc(F)c(F)c1 87935600 573017428 /nfs/dbraw/zinc/01/74/28/573017428.db2.gz WSTGXZAUUOJPIS-OIBJUYFYSA-N 1 0 183.201 2.170 10 0 AEAERO CCCC[C@H](CC)C[NH2+]CCCO 49633159 573017476 /nfs/dbraw/zinc/01/74/76/573017476.db2.gz IEQVLHMSMFXTHD-NSHDSACASA-N 1 0 187.327 2.175 10 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191.274 2.204 10 0 AEAERO CCO[C@@H]1c2ccccc2C[NH2+][C@H]1C 238300847 573194300 /nfs/dbraw/zinc/19/43/00/573194300.db2.gz HHOUZRYNHRLTCM-CABZTGNLSA-N 1 0 191.274 2.256 10 0 AEAERO C[C@@H]1[NH2+][C@H](C)Cc2cccc(F)c21 82785455 573194310 /nfs/dbraw/zinc/19/43/10/573194310.db2.gz OJOHCKNZLIFJTH-SFYZADRCSA-N 1 0 179.238 2.421 10 0 AEAERO C[C@H]1Cc2cccc3c2[C@H](CCO3)[NH2+]1 82785452 573194319 /nfs/dbraw/zinc/19/43/19/573194319.db2.gz IANWMWQOGMXMTK-WPRPVWTQSA-N 1 0 189.258 2.044 10 0 AEAERO C[C@@H]1Cc2ccccc2C[C@@H](C)[NH2+]1 82785537 573194327 /nfs/dbraw/zinc/19/43/27/573194327.db2.gz WQBSYRCJFSXJSM-NXEZZACHSA-N 1 0 175.275 2.152 10 0 AEAERO CC1([NH2+]C[C@@H]2CCCCN2)CCCC1 82785913 573194333 /nfs/dbraw/zinc/19/43/33/573194333.db2.gz SERRSNCIXKMVIH-NSHDSACASA-N 1 0 196.338 2.051 10 0 AEAERO C[C@@H]1Cc2cccc3c2[C@H](CC3)[NH2+]1 82785414 573194378 /nfs/dbraw/zinc/19/43/78/573194378.db2.gz ZXTYZQCKGXWCTN-KCJUWKMLSA-N 1 0 173.259 2.208 10 0 AEAERO C[C@@H]1Cc2cccc(F)c2[C@@H](C)[NH2+]1 82785457 573194409 /nfs/dbraw/zinc/19/44/09/573194409.db2.gz OJOHCKNZLIFJTH-HTQZYQBOSA-N 1 0 179.238 2.421 10 0 AEAERO C[C@@H]([NH3+])C/C=C/[Si](C)(C)C 223601653 573194483 /nfs/dbraw/zinc/19/44/83/573194483.db2.gz INBQHHCAPNZTNW-WVXIBAHESA-N 1 0 157.333 2.157 10 0 AEAERO CC(F)(F)C[C@@H]1CCC[NH2+]CC1 257966642 573198879 /nfs/dbraw/zinc/19/88/79/573198879.db2.gz YCYNSERMKHOSGV-MRVPVSSYSA-N 1 0 177.238 2.421 10 0 AEAERO CC(=O)C[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 82792730 573198900 /nfs/dbraw/zinc/19/89/00/573198900.db2.gz PQMXQGIHZLLKBL-MNOVXSKESA-N 1 0 197.322 2.476 10 0 AEAERO C[C@H]1CCCC[C@@]1(O)C1(C[NH3+])CCC1 85898635 573198941 /nfs/dbraw/zinc/19/89/41/573198941.db2.gz TXMYPGCEKKZHKL-JQWIXIFHSA-N 1 0 197.322 2.057 10 0 AEAERO CC[C@](C)(C[NH3+])C1(O)CCC(C)CC1 85898438 573198992 /nfs/dbraw/zinc/19/89/92/573198992.db2.gz SNISTHXYFINWSL-MOENNCHZSA-N 1 0 199.338 2.303 10 0 AEAERO C[C@@H](F)[C@@H](C1CCC1)C1([NH3+])CC1 257959408 573199014 /nfs/dbraw/zinc/19/90/14/573199014.db2.gz 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2.477 10 0 AEAERO CC1(C)CC[C@H](/C=C2\CCC[NH2+]C2)O1 308381691 573423561 /nfs/dbraw/zinc/42/35/61/573423561.db2.gz YXGGCRPNDIYBMF-RJCSOLBVSA-N 1 0 195.306 2.254 10 0 AEAERO CC[C@H](C)CN(CC)C(C)=[NH2+] 86440538 573423589 /nfs/dbraw/zinc/42/35/89/573423589.db2.gz AOHUNVNXOQLECA-QMMMGPOBSA-N 1 0 156.273 2.352 10 0 AEAERO CCc1cc(F)c(F)c(CC[NH2+]C)c1 258019630 573423593 /nfs/dbraw/zinc/42/35/93/573423593.db2.gz DMJMJCMSKUZUAN-UHFFFAOYSA-N 1 0 199.244 2.289 10 0 AEAERO [NH3+]C1(CC[C@H]2CCSC2)CCC1 258025972 573423613 /nfs/dbraw/zinc/42/36/13/573423613.db2.gz NPSQHBFFVLLLCM-VIFPVBQESA-N 1 0 185.336 2.401 10 0 AEAERO CC(C)SCCC1=CC[NH2+]CC1 258019252 573423664 /nfs/dbraw/zinc/42/36/64/573423664.db2.gz RJWNWACDNSEKKU-UHFFFAOYSA-N 1 0 185.336 2.438 10 0 AEAERO CCC(CC)c1cncn1C[C@@H](C)[NH3+] 133621580 573420281 /nfs/dbraw/zinc/42/02/81/573420281.db2.gz RIWVETBOVHQQMH-SECBINFHSA-N 1 0 195.310 2.134 10 0 AEAERO Cc1ccc2c(c1)C=C([C@H](C)[NH3+])C2 257812364 573429733 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CCC(F)(F)CCC1([NH3+])CC1 258652359 573436582 /nfs/dbraw/zinc/43/65/82/573436582.db2.gz ZQTWOVWBQZLWOA-UHFFFAOYSA-N 1 0 163.211 2.303 10 0 AEAERO C1CC2(C1)CC(C[NH2+]C1CC1)C2 83174180 573436868 /nfs/dbraw/zinc/43/68/68/573436868.db2.gz KOAQDODOOOAMTO-UHFFFAOYSA-N 1 0 165.280 2.319 10 0 AEAERO CC1(NC2=[NH+]CCC2)CCCCC1 86455255 573436877 /nfs/dbraw/zinc/43/68/77/573436877.db2.gz OAXSTNZCJHWPQB-UHFFFAOYSA-N 1 0 180.295 2.491 10 0 AEAERO c1cc(CNC2=[NH+]CCCC2)cs1 86455532 573436898 /nfs/dbraw/zinc/43/68/98/573436898.db2.gz ZUMNCKMWSPDLDU-UHFFFAOYSA-N 1 0 194.303 2.420 10 0 AEAERO C1CC[NH+]=C(NCCC2CC2)CC1 86455944 573436922 /nfs/dbraw/zinc/43/69/22/573436922.db2.gz CTTVFPWYAJTHOG-UHFFFAOYSA-N 1 0 180.295 2.349 10 0 AEAERO OC[C@H]1CC[C@@H](C2CCCCCC2)[NH2+]1 257812586 573436963 /nfs/dbraw/zinc/43/69/63/573436963.db2.gz BVEADJSKBFLOLV-NEPJUHHUSA-N 1 0 197.322 2.070 10 0 AEAERO CC(C)[C@H](C)CNC1=[NH+]CCCC1 86455758 573437023 /nfs/dbraw/zinc/43/70/23/573437023.db2.gz RYNMPOPRSQDXIY-SNVBAGLBSA-N 1 0 182.311 2.451 10 0 AEAERO C[C@H]1OCC[C@@]1(C)[NH2+]CC(C)(C)C 235595023 573437087 /nfs/dbraw/zinc/43/70/87/573437087.db2.gz CKNRYEHKFPLBJO-MWLCHTKSSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@H]1CCC[C@H]1NC1=[NH+]CCCC1 86455545 573437096 /nfs/dbraw/zinc/43/70/96/573437096.db2.gz WSJVGACASHCCGB-NXEZZACHSA-N 1 0 180.295 2.347 10 0 AEAERO CC(C)OCCC[C@@H]1CCC[NH2+]C1 258022217 573437111 /nfs/dbraw/zinc/43/71/11/573437111.db2.gz RQPQUFTYOQVNNK-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO CO[C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 257812843 573437122 /nfs/dbraw/zinc/43/71/22/573437122.db2.gz BWOCDVUFVMDYSH-VXGBXAGGSA-N 1 0 197.322 2.334 10 0 AEAERO C=Cc1ccc2c(c1)C[NH2+][C@H]2C 238395943 573437124 /nfs/dbraw/zinc/43/71/24/573437124.db2.gz DTUHPADJMMWKLZ-QMMMGPOBSA-N 1 0 159.232 2.494 10 0 AEAERO C[C@H]([NH3+])C[C@@H]1COc2ccc(F)cc21 258031517 573437142 /nfs/dbraw/zinc/43/71/42/573437142.db2.gz KBTSTPFWPHEDGP-JGVFFNPUSA-N 1 0 195.237 2.039 10 0 AEAERO c1cc(CNC2=[NH+]CCC2)cs1 86455530 573437143 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/nfs/dbraw/zinc/02/50/24/573025024.db2.gz GMWGXKOXOCTWQD-SFYZADRCSA-N 1 0 141.258 2.017 10 0 AEAERO CC[C@H]([NH3+])c1cc(C)cc(C)c1N 104573688 573025036 /nfs/dbraw/zinc/02/50/36/573025036.db2.gz PXRVYODHMJOYDX-JTQLQIEISA-N 1 0 178.279 2.295 10 0 AEAERO COc1ccc([C@@H]2CC[C@H]2C[NH3+])cc1 87942158 573025070 /nfs/dbraw/zinc/02/50/70/573025070.db2.gz HUOQWLFGTBHXDS-JQWIXIFHSA-N 1 0 191.274 2.148 10 0 AEAERO COc1ccc([C@H]2CC[C@@H]2C[NH3+])cc1 87942156 573025094 /nfs/dbraw/zinc/02/50/94/573025094.db2.gz HUOQWLFGTBHXDS-ZYHUDNBSSA-N 1 0 191.274 2.148 10 0 AEAERO Cc1cccc([C@@H]([NH3+])C(C)C)c1N 104575579 573025103 /nfs/dbraw/zinc/02/51/03/573025103.db2.gz PMDHZCOKTHYKCP-JTQLQIEISA-N 1 0 178.279 2.233 10 0 AEAERO CC(C)CC[C@H]1CC[C@H]1C[NH3+] 87942469 573025125 /nfs/dbraw/zinc/02/51/25/573025125.db2.gz BDUICFRWRMIGNF-UWVGGRQHSA-N 1 0 155.285 2.408 10 0 AEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1cncc(F)c1 87939478 573025143 /nfs/dbraw/zinc/02/51/43/573025143.db2.gz SXZKSXFCISAPCM-KWQFWETISA-N 1 0 194.253 2.063 10 0 AEAERO CC[C@@H]1CC(C)(C)CC[NH2+]1 113685409 573025181 /nfs/dbraw/zinc/02/51/81/573025181.db2.gz GENOAKLZWAKOQV-MRVPVSSYSA-N 1 0 141.258 2.175 10 0 AEAERO C[NH2+]C[C@@H]1CC[C@@H]1c1cccs1 87953939 573026903 /nfs/dbraw/zinc/02/69/03/573026903.db2.gz ZTLVQXJYKCCZAD-IUCAKERBSA-N 1 0 181.304 2.461 10 0 AEAERO Nc1cc[nH+]cc1NCCCC1CC1 308477567 573026908 /nfs/dbraw/zinc/02/69/08/573026908.db2.gz JZTFDQZAJYOKNZ-UHFFFAOYSA-N 1 0 191.278 2.266 10 0 AEAERO C[NH2+]C[C@H]1CC[C@H]1c1ccccc1 87954302 573026974 /nfs/dbraw/zinc/02/69/74/573026974.db2.gz ICIGXTFHYXBISZ-NEPJUHHUSA-N 1 0 175.275 2.400 10 0 AEAERO CC(C)[NH2+][C@H]1CC[C@@H](OC(F)F)C1 308229886 573027176 /nfs/dbraw/zinc/02/71/76/573027176.db2.gz GBMOMHYOEOBWFH-JGVFFNPUSA-N 1 0 193.237 2.145 10 0 AEAERO [NH3+]C[C@H]1CC[C@H]1c1c(F)cccc1F 87943378 573027198 /nfs/dbraw/zinc/02/71/98/573027198.db2.gz XZICVGBHXUTWMM-HTQZYQBOSA-N 1 0 197.228 2.417 10 0 AEAERO C[C@@H](CC[NH2+]C1CC1)C1CC1 87950453 573027202 /nfs/dbraw/zinc/02/72/02/573027202.db2.gz VZOWDEZEGPELIH-QMMMGPOBSA-N 1 0 153.269 2.175 10 0 AEAERO C[NH2+]C[C@H](C)[C@@H](C)C(C)C 87951161 573027255 /nfs/dbraw/zinc/02/72/55/573027255.db2.gz PJNNRKHKHHEWSW-IUCAKERBSA-N 1 0 143.274 2.134 10 0 AEAERO CC(C)C[C@H](C)[C@@]1(C[NH3+])CCC[C@@H]1O 308477596 573027316 /nfs/dbraw/zinc/02/73/16/573027316.db2.gz LPKKQBLSVOUUHO-SRVKXCTJSA-N 1 0 199.338 2.159 10 0 AEAERO Cc1cc(C(C)(C)C[NH3+])cs1 82401227 573027319 /nfs/dbraw/zinc/02/73/19/573027319.db2.gz ALLFCCOOMCJPPG-UHFFFAOYSA-N 1 0 169.293 2.293 10 0 AEAERO CCCC1([C@H]2OCC[C@@H]2C[NH3+])CCC1 686130497 573027328 /nfs/dbraw/zinc/02/73/28/573027328.db2.gz VHCXEDBUTBBBFC-MNOVXSKESA-N 1 0 197.322 2.321 10 0 AEAERO CCC[C@H](CCc1ccc[nH]1)[NH2+]C 308229135 573027334 /nfs/dbraw/zinc/02/73/34/573027334.db2.gz SDZKPTVVEWKXOY-SNVBAGLBSA-N 1 0 180.295 2.335 10 0 AEAERO CCCCC[C@H]([NH3+])c1c(C)cnn1C 308477057 573027377 /nfs/dbraw/zinc/02/73/77/573027377.db2.gz LLELUPWVLFTWAY-JTQLQIEISA-N 1 0 195.310 2.309 10 0 AEAERO C[NH2+]CC[C@@H](C)c1ccsc1 87948392 573027390 /nfs/dbraw/zinc/02/73/90/573027390.db2.gz RDWAWNZCYCOZPE-MRVPVSSYSA-N 1 0 169.293 2.461 10 0 AEAERO C[NH2+]C[C@@H]1CC[C@@H]1C(C)(C)C 87954474 573027420 /nfs/dbraw/zinc/02/74/20/573027420.db2.gz WQPBJKQPHYGRRZ-IUCAKERBSA-N 1 0 155.285 2.278 10 0 AEAERO CSc1cccc([C@H]2CC[NH2+]2)c1 104577009 573027433 /nfs/dbraw/zinc/02/74/33/573027433.db2.gz QRGTXMHNBJXJLX-SNVBAGLBSA-N 1 0 179.288 2.443 10 0 AEAERO CC(C)[NH2+][C@@H]1CC[C@@H](OC(F)F)C1 308229884 573027454 /nfs/dbraw/zinc/02/74/54/573027454.db2.gz GBMOMHYOEOBWFH-HTQZYQBOSA-N 1 0 193.237 2.145 10 0 AEAERO CC[C@H](C)[C@H]1CC[C@@H]1C[NH2+]C 87954518 573027495 /nfs/dbraw/zinc/02/74/95/573027495.db2.gz GGXQBHRXCUSKRT-IVZWLZJFSA-N 1 0 155.285 2.278 10 0 AEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC12CC2 716549113 573027511 /nfs/dbraw/zinc/02/75/11/573027511.db2.gz ZSJMNBVXMABAKR-DGORSVRFSA-N 1 0 191.318 2.421 10 0 AEAERO CC(C)(C)CC[C@](C)(CO)[NH2+]C1CC1 308478362 573027513 /nfs/dbraw/zinc/02/75/13/573027513.db2.gz LUVYLOGVDZPGQQ-GFCCVEGCSA-N 1 0 199.338 2.316 10 0 AEAERO [NH3+]C[C@H]1CC[C@@H]1c1c(F)cccc1F 87943380 573027543 /nfs/dbraw/zinc/02/75/43/573027543.db2.gz XZICVGBHXUTWMM-SFYZADRCSA-N 1 0 197.228 2.417 10 0 AEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC1 308477439 573027546 /nfs/dbraw/zinc/02/75/46/573027546.db2.gz FGOULGOROUEQAL-LLVKDONJSA-N 1 0 198.354 2.105 10 0 AEAERO CCCC[C@H](CC)[N@@H+]1CC[C@H](N)[C@@H]1C 308477454 573027556 /nfs/dbraw/zinc/02/75/56/573027556.db2.gz FHDKUQDOHBNSSD-SRVKXCTJSA-N 1 0 198.354 2.377 10 0 AEAERO CCC[C@@H]1CC[C@H]1C[NH2+]C 87954297 573027585 /nfs/dbraw/zinc/02/75/85/573027585.db2.gz PNIAIOMMFQZWLE-BDAKNGLRSA-N 1 0 141.258 2.032 10 0 AEAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](C)C1 87945480 573027594 /nfs/dbraw/zinc/02/75/94/573027594.db2.gz GNQLWKMQGLRQHA-OPRDCNLKSA-N 1 0 155.285 2.408 10 0 AEAERO C[NH2+]C[C@H]1CC[C@@H]1c1cccs1 87953940 573027617 /nfs/dbraw/zinc/02/76/17/573027617.db2.gz ZTLVQXJYKCCZAD-BDAKNGLRSA-N 1 0 181.304 2.461 10 0 AEAERO COC[C@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946405 573027627 /nfs/dbraw/zinc/02/76/27/573027627.db2.gz YMSCIBIDOQNCFF-VHSXEESVSA-N 1 0 185.311 2.034 10 0 AEAERO C[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946708 573027630 /nfs/dbraw/zinc/02/76/30/573027630.db2.gz ATEVUXNMYBRCQO-RKDXNWHRSA-N 1 0 155.285 2.408 10 0 AEAERO [NH3+]Cc1ccc2nc3cc[nH]cc-3c2c1 259313030 573024988 /nfs/dbraw/zinc/02/49/88/573024988.db2.gz GTVUCJULUUUQEI-UHFFFAOYSA-N 1 0 197.241 2.175 10 0 AEAERO Cc1cc([C@@H]([NH3+])C(C)C)ccc1N 104578704 573028212 /nfs/dbraw/zinc/02/82/12/573028212.db2.gz AFRAEVAOUINKMA-NSHDSACASA-N 1 0 178.279 2.233 10 0 AEAERO CC[C@H](C)[C@@H](C)CC[NH2+]C 87948298 573028223 /nfs/dbraw/zinc/02/82/23/573028223.db2.gz UNEJCIRUXMOOJJ-IUCAKERBSA-N 1 0 143.274 2.278 10 0 AEAERO CCC(CC)[N@@H+]1CCN[C@@H](CC)CC1 49661542 573028328 /nfs/dbraw/zinc/02/83/28/573028328.db2.gz AIBYVTNIMOMCKQ-NSHDSACASA-N 1 0 198.354 2.249 10 0 AEAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](C)C1 87945484 573028359 /nfs/dbraw/zinc/02/83/59/573028359.db2.gz GNQLWKMQGLRQHA-BBBLOLIVSA-N 1 0 155.285 2.408 10 0 AEAERO CC(C)[NH2+][C@@H]1CC[C@H](OC(F)F)C1 308229887 573028581 /nfs/dbraw/zinc/02/85/81/573028581.db2.gz GBMOMHYOEOBWFH-SFYZADRCSA-N 1 0 193.237 2.145 10 0 AEAERO CCOC1=CCc2ccccc2[C@@H]1[NH3+] 238256754 573028583 /nfs/dbraw/zinc/02/85/83/573028583.db2.gz UMTIQCIBFNFGFZ-LBPRGKRZSA-N 1 0 189.258 2.163 10 0 AEAERO [NH3+]C[C@H]1CC[C@@H]1c1ccc(F)c(F)c1 87943633 573028595 /nfs/dbraw/zinc/02/85/95/573028595.db2.gz OEFZOYDHSIDFPZ-RKDXNWHRSA-N 1 0 197.228 2.417 10 0 AEAERO CC[C@H]([NH3+])[C@H](C)CC(C)C 82409309 573028640 /nfs/dbraw/zinc/02/86/40/573028640.db2.gz RSAOLYFBFOOVBN-BDAKNGLRSA-N 1 0 143.274 2.406 10 0 AEAERO [NH3+]C[C@H]1CC[C@@H]1Cc1ccsc1 87943317 573028641 /nfs/dbraw/zinc/02/86/41/573028641.db2.gz DQFYHRQWFJAJQA-NXEZZACHSA-N 1 0 181.304 2.276 10 0 AEAERO CC[C@@H]([NH3+])[C@H](C)CC(C)C 82409310 573028651 /nfs/dbraw/zinc/02/86/51/573028651.db2.gz RSAOLYFBFOOVBN-RKDXNWHRSA-N 1 0 143.274 2.406 10 0 AEAERO Cc1c[nH+]c(NCC(C)(C)C)c(N)c1 85425410 573028674 /nfs/dbraw/zinc/02/86/74/573028674.db2.gz NVXFHQHYMSLVIW-UHFFFAOYSA-N 1 0 193.294 2.430 10 0 AEAERO COc1cccc(C)c1[C@H]1CC[NH2+]1 104580503 573028675 /nfs/dbraw/zinc/02/86/75/573028675.db2.gz ZGZVUZMFXHREMR-SECBINFHSA-N 1 0 177.247 2.038 10 0 AEAERO CC[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87955918 573028702 /nfs/dbraw/zinc/02/87/02/573028702.db2.gz DALWLZYJETUNNX-NXEZZACHSA-N 1 0 155.285 2.421 10 0 AEAERO CCC[N@H+](CC(C)C)[C@@H]1CCCC1=O 308478483 573028703 /nfs/dbraw/zinc/02/87/03/573028703.db2.gz LMFPSFBIIQIKQZ-LLVKDONJSA-N 1 0 197.322 2.476 10 0 AEAERO C[NH2+]C[C@@H]1CC[C@@H]1CC(C)C 87953918 573028707 /nfs/dbraw/zinc/02/87/07/573028707.db2.gz ZWMXQCCFGMRRIP-ZJUUUORDSA-N 1 0 155.285 2.278 10 0 AEAERO [NH3+]C[C@H]1CC[C@H]1Cc1ccsc1 87943314 573028723 /nfs/dbraw/zinc/02/87/23/573028723.db2.gz DQFYHRQWFJAJQA-VHSXEESVSA-N 1 0 181.304 2.276 10 0 AEAERO CCC(CC)[C@H]([NH3+])c1cnc(C)n1C 308477172 573028751 /nfs/dbraw/zinc/02/87/51/573028751.db2.gz LNQQDHRSQOQYHC-NSHDSACASA-N 1 0 195.310 2.165 10 0 AEAERO C[NH2+]C[C@@H]1CC[C@@H]1c1ccccc1 87954299 573028778 /nfs/dbraw/zinc/02/87/78/573028778.db2.gz ICIGXTFHYXBISZ-NWDGAFQWSA-N 1 0 175.275 2.400 10 0 AEAERO COc1ccc(C)c([C@@H]2CC[NH2+]2)c1 104579460 573028783 /nfs/dbraw/zinc/02/87/83/573028783.db2.gz XVCKMEYELXODPX-NSHDSACASA-N 1 0 177.247 2.038 10 0 AEAERO CC[NH2+]CC[C@H](C)C(C)C 87948755 573028799 /nfs/dbraw/zinc/02/87/99/573028799.db2.gz LHXURENIDCEHEL-VIFPVBQESA-N 1 0 143.274 2.278 10 0 AEAERO CCOCCC[C@@H](C)[C@@H](C)C[NH2+]C 87951224 573028812 /nfs/dbraw/zinc/02/88/12/573028812.db2.gz HWPPIZGGOLYDCT-MNOVXSKESA-N 1 0 187.327 2.295 10 0 AEAERO CC[NH2+]C[C@H]1CC[C@H]1CC 87955038 573028840 /nfs/dbraw/zinc/02/88/40/573028840.db2.gz VWMJISSDZRVGFD-RKDXNWHRSA-N 1 0 141.258 2.032 10 0 AEAERO C[NH2+]C[C@@H]1CC[C@H]1c1ccccc1 87954301 573028851 /nfs/dbraw/zinc/02/88/51/573028851.db2.gz ICIGXTFHYXBISZ-RYUDHWBXSA-N 1 0 175.275 2.400 10 0 AEAERO CCC(CC)[C@H](CC)C[NH3+] 82409300 573028857 /nfs/dbraw/zinc/02/88/57/573028857.db2.gz IUNOKVTUDGRMGS-SECBINFHSA-N 1 0 143.274 2.408 10 0 AEAERO C[C@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946717 573028868 /nfs/dbraw/zinc/02/88/68/573028868.db2.gz ATEVUXNMYBRCQO-IUCAKERBSA-N 1 0 155.285 2.408 10 0 AEAERO CC[NH2+][C@H]1[C@H]2C[C@@H]3C[C@H]2C[C@H]1C3 238256378 573028874 /nfs/dbraw/zinc/02/88/74/573028874.db2.gz RQRZZELHULYOLK-NZHYYXIDSA-N 1 0 165.280 2.031 10 0 AEAERO Cc1cc([C@H]([NH3+])C(C)C)ccc1N 104578699 573028876 /nfs/dbraw/zinc/02/88/76/573028876.db2.gz AFRAEVAOUINKMA-LLVKDONJSA-N 1 0 178.279 2.233 10 0 AEAERO CC(C)C[C@H](C)[C@]1(C[NH3+])CCC[C@@H]1O 308477594 573028915 /nfs/dbraw/zinc/02/89/15/573028915.db2.gz LPKKQBLSVOUUHO-SDDRHHMPSA-N 1 0 199.338 2.159 10 0 AEAERO CCCCOCC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308477693 573028924 /nfs/dbraw/zinc/02/89/24/573028924.db2.gz LRTNJBRYTCDONU-GRYCIOLGSA-N 1 0 197.322 2.191 10 0 AEAERO CC1=CC(C)(C)[C@H](Cc2ccc[nH]2)[NH2+]1 238256599 573028925 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/nfs/dbraw/zinc/44/23/48/573442348.db2.gz IEZHZSXNOGFAHO-ZJUUUORDSA-N 1 0 197.347 2.129 10 0 AEAERO C1C[C@]2(C[NH2+]1)C[C@@H]2C1CCSCC1 258023337 573441705 /nfs/dbraw/zinc/44/17/05/573441705.db2.gz IEAUGNCBYJFGTL-GHMZBOCLSA-N 1 0 197.347 2.129 10 0 AEAERO CC1(C)C[NH2+][C@@H](C2CCCC2)OC1 258346273 573441760 /nfs/dbraw/zinc/44/17/60/573441760.db2.gz FJKXGDOBEYNDBR-SNVBAGLBSA-N 1 0 183.295 2.149 10 0 AEAERO CCC1(C[C@](C)(C[NH3+])[C@@H](C)O)CCC1 308587299 573441847 /nfs/dbraw/zinc/44/18/47/573441847.db2.gz SRWKBCSFZWYNPQ-GHMZBOCLSA-N 1 0 199.338 2.303 10 0 AEAERO Fc1cccc([C@H]2[NH2+]CC3CC2C3)c1 257813711 573441860 /nfs/dbraw/zinc/44/18/60/573441860.db2.gz CINDQNJWJYDKAJ-HSLLBKHCSA-N 1 0 191.249 2.496 10 0 AEAERO C[NH2+][C@H]1C=C(C)CC(C)(C)C1 144233040 573441872 /nfs/dbraw/zinc/44/18/72/573441872.db2.gz FVTNKUDDLKTVKP-VIFPVBQESA-N 1 0 153.269 2.341 10 0 AEAERO CCO[C@@H](C)C[NH2+]C1CC(C)(C)C1 308390459 573441886 /nfs/dbraw/zinc/44/18/86/573441886.db2.gz ZEVNAUZJKHVPRR-VIFPVBQESA-N 1 0 185.311 2.190 10 0 AEAERO C1C[C@@]2(C[NH2+]1)C[C@H]2C1CCSCC1 258023339 573441982 /nfs/dbraw/zinc/44/19/82/573441982.db2.gz IEAUGNCBYJFGTL-QWRGUYRKSA-N 1 0 197.347 2.129 10 0 AEAERO Cc1cn(C)c(C)c1CCC1([NH3+])CC1 257813375 573442066 /nfs/dbraw/zinc/44/20/66/573442066.db2.gz CEMFEQKTQAFQAW-UHFFFAOYSA-N 1 0 192.306 2.066 10 0 AEAERO CCC1(C[C@@](C)(C[NH3+])[C@H](C)O)CCC1 308587301 573442077 /nfs/dbraw/zinc/44/20/77/573442077.db2.gz SRWKBCSFZWYNPQ-QWRGUYRKSA-N 1 0 199.338 2.303 10 0 AEAERO C[C@@H]([NH3+])c1cnc2[nH]ccc2c1Cl 238397843 573442109 /nfs/dbraw/zinc/44/21/09/573442109.db2.gz UBBHXBFQPMVTGB-RXMQYKEDSA-N 1 0 195.653 2.236 10 0 AEAERO [NH3+][C@@H]1C[C@]12CCCc1c(F)cccc12 257813715 573442114 /nfs/dbraw/zinc/44/21/14/573442114.db2.gz CINQVGUSLNCDRK-NEPJUHHUSA-N 1 0 191.249 2.131 10 0 AEAERO CC(C)C[C@H](CC[NH3+])C(F)F 258654975 573444897 /nfs/dbraw/zinc/44/48/97/573444897.db2.gz ZSAVVSLVWCAKGZ-ZETCQYMHSA-N 1 0 165.227 2.263 10 0 AEAERO C[C@@H](C[NH3+])CC1(C2CCCC2)COC1 258657546 573444947 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2.316 10 0 AEAERO [NH3+]C[C@@H]1CC(F)(F)c2ccccc21 107256198 573445109 /nfs/dbraw/zinc/44/51/09/573445109.db2.gz NFJHCCLTYSUSQW-ZETCQYMHSA-N 1 0 183.201 2.224 10 0 AEAERO CCCCCOC1(C[NH3+])CCCC1 50500810 573445144 /nfs/dbraw/zinc/44/51/44/573445144.db2.gz BHYBIGXUFHWKOO-UHFFFAOYSA-N 1 0 185.311 2.465 10 0 AEAERO CCc1oc([C@@H]2CCCC[NH2+]2)nc1C 258023346 573445249 /nfs/dbraw/zinc/44/52/49/573445249.db2.gz IEFYTDDJKLIFKZ-VIFPVBQESA-N 1 0 194.278 2.360 10 0 AEAERO CCC(C)(C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 308587188 573445289 /nfs/dbraw/zinc/44/52/89/573445289.db2.gz SPYYWKLHPOOQLP-GHMZBOCLSA-N 1 0 199.338 2.316 10 0 AEAERO CC(C)c1cccnc1[C@H]1CC[NH2+]C1 259103472 573445293 /nfs/dbraw/zinc/44/52/93/573445293.db2.gz DXGVEMUUSDIYID-JTQLQIEISA-N 1 0 190.290 2.282 10 0 AEAERO C[C@H](F)CC[C@H]1CCCC[NH2+]1 107255519 573445298 /nfs/dbraw/zinc/44/52/98/573445298.db2.gz FGGCJDUXMLEQGG-DTWKUNHWSA-N 1 0 159.248 2.267 10 0 AEAERO C[NH2+][C@@H](c1cccc(N)c1)C(C)C 259611850 573445403 /nfs/dbraw/zinc/44/54/03/573445403.db2.gz YLNBPJGRWWUKCP-LLVKDONJSA-N 1 0 178.279 2.185 10 0 AEAERO COc1ccc2c(c1)[C@H]([NH3+])C(C)(C)C2 214893863 573445456 /nfs/dbraw/zinc/44/54/56/573445456.db2.gz XSDADYKQFHNHQN-NSHDSACASA-N 1 0 191.274 2.277 10 0 AEAERO CCC1(C[C@](C)(C[NH3+])[C@H](C)O)CCC1 308587303 573445461 /nfs/dbraw/zinc/44/54/61/573445461.db2.gz SRWKBCSFZWYNPQ-WDEREUQCSA-N 1 0 199.338 2.303 10 0 AEAERO CC(C)C1([C@H]2C[C@@H]([NH3+])CCO2)CCC1 686125445 573445469 /nfs/dbraw/zinc/44/54/69/573445469.db2.gz AAIOSYJGWYOIFD-WDEREUQCSA-N 1 0 197.322 2.319 10 0 AEAERO CCc1sc(C[NH3+])nc1C1CCC1 257816425 573445490 /nfs/dbraw/zinc/44/54/90/573445490.db2.gz DLZKQVQWLDZMTA-UHFFFAOYSA-N 1 0 196.319 2.432 10 0 AEAERO CCc1ccccc1[C@@H](F)C[NH2+]C 257816437 573445542 /nfs/dbraw/zinc/44/55/42/573445542.db2.gz BPXWYOYQCSUZBT-NSHDSACASA-N 1 0 181.254 2.479 10 0 AEAERO C[C@H]1CCc2ccc(F)cc2[C@@H]1C[NH3+] 214894844 573445558 /nfs/dbraw/zinc/44/55/58/573445558.db2.gz KBVIBJKUDDKMBC-QPUJVOFHSA-N 1 0 193.265 2.450 10 0 AEAERO C[C@@H]1CCC2(CCCC2)C[NH2+]1 238398847 573445574 /nfs/dbraw/zinc/44/55/74/573445574.db2.gz GYOWOHCSBKYVEM-SECBINFHSA-N 1 0 153.269 2.319 10 0 AEAERO C[C@H](CO)CCC[NH2+]C[C@]1(C)C[C@H]1C 714698193 573445594 /nfs/dbraw/zinc/44/55/94/573445594.db2.gz KWSFBKWIWBDNQF-TUAOUCFPSA-N 1 0 199.338 2.031 10 0 AEAERO C[C@@H](F)CC[C@@H]1CCCC[NH2+]1 107255516 573445623 /nfs/dbraw/zinc/44/56/23/573445623.db2.gz FGGCJDUXMLEQGG-BDAKNGLRSA-N 1 0 159.248 2.267 10 0 AEAERO C[C@H](C[NH3+])CC1(C2CCCC2)COC1 258657537 573445653 /nfs/dbraw/zinc/44/56/53/573445653.db2.gz DUCZHBAWJMWNBV-JTQLQIEISA-N 1 0 197.322 2.178 10 0 AEAERO Cc1ccoc1[C@H](C)[NH2+][C@H](C)[C@@H](C)O 308590076 573453965 /nfs/dbraw/zinc/45/39/65/573453965.db2.gz JZQQRSCUZSTJPR-KXUCPTDWSA-N 1 0 197.278 2.008 10 0 AEAERO FC(F)[C@@H]1C[NH2+][C@@H]1c1ccccc1 257817386 573453978 /nfs/dbraw/zinc/45/39/78/573453978.db2.gz DQWKNZKEZKJRJR-RKDXNWHRSA-N 1 0 183.201 2.212 10 0 AEAERO [NH3+]C[C@H]1C[C@@H](F)c2ccccc21 107257330 573453987 /nfs/dbraw/zinc/45/39/87/573453987.db2.gz FMJPATXWGHUZIL-GMSGAONNSA-N 1 0 165.211 2.143 10 0 AEAERO [NH3+][C@@H]1CC[C@H](F)[C@H]1c1ccccc1 107261731 573453298 /nfs/dbraw/zinc/45/32/98/573453298.db2.gz XBTOWPMABSINTI-HBNTYKKESA-N 1 0 179.238 2.229 10 0 AEAERO CC(C)[N@@H+]1CC[C@@H](CCO)CC1(C)C 259455262 573453356 /nfs/dbraw/zinc/45/33/56/573453356.db2.gz POUBSQQOQJRADT-NSHDSACASA-N 1 0 199.338 2.268 10 0 AEAERO [NH3+]C[C@H]1Cc2ccccc2C(F)(F)C1 107257354 573453457 /nfs/dbraw/zinc/45/34/57/573453457.db2.gz XSZRHMJHJAUTOI-QMMMGPOBSA-N 1 0 197.228 2.300 10 0 AEAERO CC[C@H]1CCCC[N@@H+]1C1(CN)CCC1 86474947 573453463 /nfs/dbraw/zinc/45/34/63/573453463.db2.gz PVLUDUVMYJZHAV-NSHDSACASA-N 1 0 196.338 2.132 10 0 AEAERO CC(=O)[C@H]([NH+]1CCCCC1)C(C)(C)C 259455034 573453519 /nfs/dbraw/zinc/45/35/19/573453519.db2.gz WKEVLXJHFVIOKH-NSHDSACASA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@H]([NH2+][C@@H](CO)[C@@H](C)CC)C1CC1 130060205 573453527 /nfs/dbraw/zinc/45/35/27/573453527.db2.gz HGBUQDOBOAPOGE-DLOVCJGASA-N 1 0 199.338 2.172 10 0 AEAERO C[C@]1(C2CCSCC2)CC[NH2+]C1 257817500 573453557 /nfs/dbraw/zinc/45/35/57/573453557.db2.gz DSNNVPGJGIYROQ-JTQLQIEISA-N 1 0 185.336 2.129 10 0 AEAERO [NH3+][C@@H]1CC[C@H](F)[C@@H]1c1ccccc1 107261726 573453593 /nfs/dbraw/zinc/45/35/93/573453593.db2.gz XBTOWPMABSINTI-AXFHLTTASA-N 1 0 179.238 2.229 10 0 AEAERO Cc1ccc2c(c1)CC[C@]2(F)C[NH3+] 257817484 573453613 /nfs/dbraw/zinc/45/36/13/573453613.db2.gz DSFAJTYYYLKNLX-NSHDSACASA-N 1 0 179.238 2.065 10 0 AEAERO [NH3+]C1(c2conc2C2CC2)CCCC1 83278388 573453615 /nfs/dbraw/zinc/45/36/15/573453615.db2.gz IRGSQMWFBNHGLO-UHFFFAOYSA-N 1 0 192.262 2.280 10 0 AEAERO [NH3+]C[C@H]1Cc2ccccc2[C@@H](F)C1 107257336 573453696 /nfs/dbraw/zinc/45/36/96/573453696.db2.gz YGTTXLRDEFLDEJ-KWQFWETISA-N 1 0 179.238 2.218 10 0 AEAERO CC[C@]1(c2cccc(O)c2)C[C@H]1C[NH3+] 257816779 573453839 /nfs/dbraw/zinc/45/38/39/573453839.db2.gz DNJCSPHTZNLQJJ-CMPLNLGQSA-N 1 0 191.274 2.019 10 0 AEAERO CC[C@@H](C)[C@@H]([NH2+]C(C)C)c1nnco1 308590052 573453850 /nfs/dbraw/zinc/45/38/50/573453850.db2.gz OEKHSRULXPVBRE-RKDXNWHRSA-N 1 0 197.282 2.155 10 0 AEAERO C[C@@H]1c2cccc(F)c2CC[C@@H]1[NH3+] 258354562 573453861 /nfs/dbraw/zinc/45/38/61/573453861.db2.gz WDFBQBMGSRFYDZ-HQJQHLMTSA-N 1 0 179.238 2.203 10 0 AEAERO CC(C)C[C@H]([NH3+])c1cccc(N)c1 257816750 573453932 /nfs/dbraw/zinc/45/39/32/573453932.db2.gz DKNYWSOKESUXOK-NSHDSACASA-N 1 0 178.279 2.315 10 0 AEAERO CC1(C)[NH2+]C[C@H]2CCCC[C@H]21 107266212 573458900 /nfs/dbraw/zinc/45/89/00/573458900.db2.gz MYKNLBUYICZVGX-RKDXNWHRSA-N 1 0 153.269 2.175 10 0 AEAERO CCCc1nc(C(C)(C)[NH2+]C)[nH]c1C 258497740 573458901 /nfs/dbraw/zinc/45/89/01/573458901.db2.gz DQSXXIDOGUKATA-UHFFFAOYSA-N 1 0 195.310 2.125 10 0 AEAERO Cc1ccc([C@H]2[NH2+]C[C@@H](C)CO2)cc1 258658821 573458237 /nfs/dbraw/zinc/45/82/37/573458237.db2.gz SMLZGAPVOUXBAJ-PWSUYJOCSA-N 1 0 191.274 2.250 10 0 AEAERO C[C@H](F)C[NH2+]Cc1ccccc1 107264864 573458301 /nfs/dbraw/zinc/45/83/01/573458301.db2.gz SNGNOMDYULXUPW-VIFPVBQESA-N 1 0 167.227 2.134 10 0 AEAERO CCc1cc2[nH]c(C)cc2c[nH+]1 142587578 573458310 /nfs/dbraw/zinc/45/83/10/573458310.db2.gz XEDDUFIAMAMNCR-UHFFFAOYSA-N 1 0 160.220 2.434 10 0 AEAERO C[C@@H](F)[C@@H](CC1([NH3+])CC1)C1CC1 257817848 573458343 /nfs/dbraw/zinc/45/83/43/573458343.db2.gz DUEGLOJALYIJAQ-VXNVDRBHSA-N 1 0 171.259 2.252 10 0 AEAERO Cc1cncc2c(C[NH3+])cccc12 258365772 573458368 /nfs/dbraw/zinc/45/83/68/573458368.db2.gz WULGSYOUEUKRRG-UHFFFAOYSA-N 1 0 172.231 2.002 10 0 AEAERO C[C@H](F)c1ccc(C[NH3+])cc1 107265641 573458397 /nfs/dbraw/zinc/45/83/97/573458397.db2.gz NNUFESOXZJJQDB-ZETCQYMHSA-N 1 0 153.200 2.176 10 0 AEAERO C[C@H]([NH3+])c1nnc(C2CCCC2)s1 83282364 573458429 /nfs/dbraw/zinc/45/84/29/573458429.db2.gz UYYHIRYTYHNHMH-LURJTMIESA-N 1 0 197.307 2.215 10 0 AEAERO Cc1cc(C[C@@H](C)[NH3+])c(C)c(C)c1O 259458537 573458530 /nfs/dbraw/zinc/45/85/30/573458530.db2.gz NBWNFFNVYUSZMG-MRVPVSSYSA-N 1 0 193.290 2.207 10 0 AEAERO 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CCOc1ccc([C@@H](F)C[NH2+]C)cc1 257819134 573483696 /nfs/dbraw/zinc/48/36/96/573483696.db2.gz CZSVVLSOZMQNCS-NSHDSACASA-N 1 0 197.253 2.315 10 0 AEAERO CCO[C@@H](c1ccccc1)[C@H](C)[NH2+]C 143186712 573483697 /nfs/dbraw/zinc/48/36/97/573483697.db2.gz IOKXQBUEGZQIHA-CMPLNLGQSA-N 1 0 193.290 2.372 10 0 AEAERO CCSCC[C@@H]1CCC[C@H]1[NH3+] 86534516 573483728 /nfs/dbraw/zinc/48/37/28/573483728.db2.gz RSILRQCNCISMGE-DTWKUNHWSA-N 1 0 173.325 2.257 10 0 AEAERO C[C@H](C[NH3+])C[C@H]1CNc2ccccc21 107293448 573483747 /nfs/dbraw/zinc/48/37/47/573483747.db2.gz MCDJYBPYRMZDAS-UWVGGRQHSA-N 1 0 190.290 2.181 10 0 AEAERO C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[C@@H]1O 86535995 573483756 /nfs/dbraw/zinc/48/37/56/573483756.db2.gz NIVFQFVXUNXFLU-WOPDTQHZSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)[C@H](CO)[N@H+](C)CC1CCCC1 258677723 573483767 /nfs/dbraw/zinc/48/37/67/573483767.db2.gz AQKJISLLATVGLT-LBPRGKRZSA-N 1 0 199.338 2.125 10 0 AEAERO C[C@@H]1CC[C@@](C[NH3+])(OC(C)(C)C)C1 83403267 573483775 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10 0 AEAERO c1ccc2nc([C@H]3CC[NH2+]3)ccc2c1 78677757 573575074 /nfs/dbraw/zinc/57/50/74/573575074.db2.gz CYMOHADIKFXZJN-LLVKDONJSA-N 1 0 184.242 2.269 10 0 AEAERO [NH3+][C@@H](CC1CC1)c1ccoc1 78677481 573575093 /nfs/dbraw/zinc/57/50/93/573575093.db2.gz SKDUSORGBIFWMH-VIFPVBQESA-N 1 0 151.209 2.080 10 0 AEAERO Clc1cccc2c1CCN=C2 145274099 573575185 /nfs/dbraw/zinc/57/51/85/573575185.db2.gz AMYHKYJKAKVEEP-UHFFFAOYSA-N 1 0 165.623 2.315 10 0 AEAERO Cc1cc(F)ccc1[C@@H]1CC[NH2+]1 78678179 573575328 /nfs/dbraw/zinc/57/53/28/573575328.db2.gz JFVBOPOCKIUEHE-JTQLQIEISA-N 1 0 165.211 2.169 10 0 AEAERO CC(C)[C@@H]1CCC[C@H]2[NH2+]CC[C@H]12 107403914 573575331 /nfs/dbraw/zinc/57/53/31/573575331.db2.gz DBKDBLWLUHKZFD-HBNTYKKESA-N 1 0 167.296 2.421 10 0 AEAERO Cc1ccc([C@H]2CC[NH2+]2)cc1F 78678118 573575385 /nfs/dbraw/zinc/57/53/85/573575385.db2.gz MLGVHDVFJSCPRT-SNVBAGLBSA-N 1 0 165.211 2.169 10 0 AEAERO Cc1cccc([C@H]([NH3+])CC2CC2)n1 78677813 573575397 /nfs/dbraw/zinc/57/53/97/573575397.db2.gz HTTXLHIUPCLPQT-SNVBAGLBSA-N 1 0 176.263 2.190 10 0 AEAERO CO[C@@H]1CCC[C@H]1[C@H](C)C[NH2+]C1CC1 308636891 573575448 /nfs/dbraw/zinc/57/54/48/573575448.db2.gz BIAUMSHTVVTFMQ-ADEWGFFLSA-N 1 0 197.322 2.190 10 0 AEAERO CC(C)[C@@H]1CCC[C@@H]2[NH2+]CC[C@@H]21 107403917 573575469 /nfs/dbraw/zinc/57/54/69/573575469.db2.gz DBKDBLWLUHKZFD-AXFHLTTASA-N 1 0 167.296 2.421 10 0 AEAERO CCOc1cccc([C@H]2CC[NH2+]2)c1 78678154 573575484 /nfs/dbraw/zinc/57/54/84/573575484.db2.gz YVIFOLZWFJPRBJ-LLVKDONJSA-N 1 0 177.247 2.120 10 0 AEAERO C[NH2+]C[C@@H]1CCC[C@H]2CCC[C@@H]21 107404084 573575493 /nfs/dbraw/zinc/57/54/93/573575493.db2.gz LYGVUJNNQNDIMG-DCAQKATOSA-N 1 0 167.296 2.422 10 0 AEAERO [NH3+]C1(Cc2ccc(O)c(Cl)c2)CC1 258065021 573575497 /nfs/dbraw/zinc/57/54/97/573575497.db2.gz LVDSPASKIUFQAP-UHFFFAOYSA-N 1 0 197.665 2.079 10 0 AEAERO C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C 86719052 573589286 /nfs/dbraw/zinc/58/92/86/573589286.db2.gz RPXYHYJRIVHORQ-JOYOIKCWSA-N 1 0 175.275 2.448 10 0 AEAERO Cc1ccc(NCC[C@H](C)[NH3+])cc1 258813519 573589315 /nfs/dbraw/zinc/58/93/15/573589315.db2.gz ULDPVFLRXJLBOY-JTQLQIEISA-N 1 0 178.279 2.144 10 0 AEAERO C1CC(C[C@@H]2CCSC2)CC[NH2+]1 107417915 573589339 /nfs/dbraw/zinc/58/93/39/573589339.db2.gz GXIXJMJOTPLVCA-JTQLQIEISA-N 1 0 185.336 2.129 10 0 AEAERO C[NH2+][C@@H]1c2cccc(C)c2C[C@H]1C 86719183 573589342 /nfs/dbraw/zinc/58/93/42/573589342.db2.gz URYRJLVSKCCROT-SKDRFNHKSA-N 1 0 175.275 2.448 10 0 AEAERO [NH3+]C[C@@H]1c2ccccc2OC12CCC2 107419600 573589362 /nfs/dbraw/zinc/58/93/62/573589362.db2.gz KBYXFXAGLYVYKQ-SNVBAGLBSA-N 1 0 189.258 2.044 10 0 AEAERO [NH3+]C1(CC[C@@H]2CCCSC2)CC1 107417958 573589371 /nfs/dbraw/zinc/58/93/71/573589371.db2.gz IFYMCXOTFYXNFO-VIFPVBQESA-N 1 0 185.336 2.401 10 0 AEAERO C[NH2+][C@H]1c2ccc(F)c(F)c2C[C@H]1C 86719147 573589376 /nfs/dbraw/zinc/58/93/76/573589376.db2.gz SYHGVSJSHHCMDB-KSBSHMNSSA-N 1 0 197.228 2.418 10 0 AEAERO C[NH2+][C@@H]1CC[C@@H]1c1ccc(OC)cc1 257833666 573589394 /nfs/dbraw/zinc/58/93/94/573589394.db2.gz KBDRKUVQGBMGJH-VXGBXAGGSA-N 1 0 191.274 2.161 10 0 AEAERO Cc1cc(F)cc2c1C[C@@H](C)[C@@H]2[NH3+] 86718661 573588752 /nfs/dbraw/zinc/58/87/52/573588752.db2.gz XDGCVJLXEFPLBJ-HQJQHLMTSA-N 1 0 179.238 2.326 10 0 AEAERO CCC1CC([NH2+]CCOC2CCC2)C1 308631519 573588765 /nfs/dbraw/zinc/58/87/65/573588765.db2.gz ZDMYGXCUTLNERP-UHFFFAOYSA-N 1 0 197.322 2.334 10 0 AEAERO Cc1c[nH]c2cc(C[C@H](C)[NH3+])ccc12 258063941 573588801 /nfs/dbraw/zinc/58/88/01/573588801.db2.gz LXQBULORLMTMQT-VIFPVBQESA-N 1 0 188.274 2.366 10 0 AEAERO C[C@H]1[C@@H]2CCOc3cccc(c32)[C@@H]1[NH3+] 86718807 573588841 /nfs/dbraw/zinc/58/88/41/573588841.db2.gz XRTUZGWSFDPNOF-YVZVNANGSA-N 1 0 189.258 2.202 10 0 AEAERO CO[C@@H]1C[C@@H](C[NH2+]C(C)C)C12CCC2 308405126 573588846 /nfs/dbraw/zinc/58/88/46/573588846.db2.gz BJFVCESEEJYMOF-WDEREUQCSA-N 1 0 197.322 2.190 10 0 AEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1C 86719123 573588848 /nfs/dbraw/zinc/58/88/48/573588848.db2.gz SFLXVBFNFKNFMQ-QPUJVOFHSA-N 1 0 191.274 2.148 10 0 AEAERO Cc1cccc2c1[C@@H](C[C@H](C)[NH3+])CN2 258063986 573588859 /nfs/dbraw/zinc/58/88/59/573588859.db2.gz LYVVXGZYHJSNFG-UWVGGRQHSA-N 1 0 190.290 2.241 10 0 AEAERO COc1ccc([C@H](F)[C@H]2CC[NH2+]2)cc1 257833673 573588885 /nfs/dbraw/zinc/58/88/85/573588885.db2.gz KBQGARCOAOJZER-MNOVXSKESA-N 1 0 195.237 2.068 10 0 AEAERO COC[C@H](C)[C@@H](C)[NH2+]CCCC1CC1 308631255 573588944 /nfs/dbraw/zinc/58/89/44/573588944.db2.gz ZBDBSHQZMSREPJ-WDEREUQCSA-N 1 0 199.338 2.437 10 0 AEAERO Cc1cc(C)cc(NCC[C@H](C)[NH3+])c1 258787739 573588953 /nfs/dbraw/zinc/58/89/53/573588953.db2.gz RIFMMYFWBOSXKR-NSHDSACASA-N 1 0 192.306 2.453 10 0 AEAERO CSCC[C@@H]([NH3+])CCCCF 393538645 573588961 /nfs/dbraw/zinc/58/89/61/573588961.db2.gz VEYWIMSYPVOPCW-QMMMGPOBSA-N 1 0 179.304 2.207 10 0 AEAERO Cc1ccc(C)c2c1C[C@H](C)[C@H]2[NH3+] 86718882 573588965 /nfs/dbraw/zinc/58/89/65/573588965.db2.gz ATYKIDOCTRMKBP-JOYOIKCWSA-N 1 0 175.275 2.495 10 0 AEAERO FC1(F)C[NH2+]C[C@H]1C1CCCCC1 259518888 573588968 /nfs/dbraw/zinc/58/89/68/573588968.db2.gz ADHZNEUWMPRDRB-VIFPVBQESA-N 1 0 189.249 2.421 10 0 AEAERO C[NH2+][C@H]1c2cccc(OC)c2C[C@@H]1C 86719277 573588974 /nfs/dbraw/zinc/58/89/74/573588974.db2.gz LITWAISNKFLMMH-QPUJVOFHSA-N 1 0 191.274 2.148 10 0 AEAERO C[C@@H]1Cc2c(ccc(F)c2F)[C@H]1[NH3+] 86718582 573588993 /nfs/dbraw/zinc/58/89/93/573588993.db2.gz ZQLKYBSGLQDPNZ-FWOIEVBISA-N 1 0 183.201 2.157 10 0 AEAERO C[C@H]1Sc2cc(F)ccc2[C@@H]1[NH3+] 107415662 573589032 /nfs/dbraw/zinc/58/90/32/573589032.db2.gz AYIYUPFIEZFXGM-MLUIRONXSA-N 1 0 183.251 2.320 10 0 AEAERO Cc1ccc2c(c1C)C[C@H](C)[C@H]2[NH3+] 86718440 573589052 /nfs/dbraw/zinc/58/90/52/573589052.db2.gz JROWNFIRHKCBHB-QPUJVOFHSA-N 1 0 175.275 2.495 10 0 AEAERO C[C@@H]1Cc2c(F)ccc(F)c2[C@@H]1[NH3+] 86718361 573589064 /nfs/dbraw/zinc/58/90/64/573589064.db2.gz FALNIXYGKVKFCC-GPXNAGAYSA-N 1 0 183.201 2.157 10 0 AEAERO c1ccc(C2([C@@H]3CC[NH2+]C3)CC2)cc1 107418936 573589107 /nfs/dbraw/zinc/58/91/07/573589107.db2.gz JPBXTYACWWQLQM-GFCCVEGCSA-N 1 0 187.286 2.328 10 0 AEAERO C[C@@H]1Sc2cc(F)ccc2[C@H]1[NH3+] 107415660 573589130 /nfs/dbraw/zinc/58/91/30/573589130.db2.gz AYIYUPFIEZFXGM-CDUCUWFYSA-N 1 0 183.251 2.320 10 0 AEAERO COCc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)C2 86718431 573589142 /nfs/dbraw/zinc/58/91/42/573589142.db2.gz YKURQSPUCAZNOD-QPUJVOFHSA-N 1 0 191.274 2.025 10 0 AEAERO CC(C)CCCCN1CCC(=O)CC1 147561395 573589172 /nfs/dbraw/zinc/58/91/72/573589172.db2.gz QVKFVJFNLSLUFE-UHFFFAOYSA-N 1 0 197.322 2.478 10 0 AEAERO C[C@H]1[C@@H]2CCc3cccc(c32)[C@@H]1[NH3+] 86718704 573589174 /nfs/dbraw/zinc/58/91/74/573589174.db2.gz SWAXMCVABHQTOD-QOSJWCAFSA-N 1 0 173.259 2.366 10 0 AEAERO CCc1cccc2c1C[C@@H](C)[C@H]2[NH3+] 86718398 573589191 /nfs/dbraw/zinc/58/91/91/573589191.db2.gz YEOPWCGXVKKQQY-PRHODGIISA-N 1 0 175.275 2.441 10 0 AEAERO C[NH2+]C1(C(=O)CC2CC2)CCCCC1 308640936 573589262 /nfs/dbraw/zinc/58/92/62/573589262.db2.gz CZWSSUWOIDTQHX-UHFFFAOYSA-N 1 0 195.306 2.278 10 0 AEAERO C[C@@H]1CC[C@@](C)(c2cccc(O)c2)[NH2+]1 258064160 573593479 /nfs/dbraw/zinc/59/34/79/573593479.db2.gz SWAVLUNRGVYWJR-SKDRFNHKSA-N 1 0 191.274 2.379 10 0 AEAERO C[C@@H]([NH3+])[C@H]1c2ccccc2OC1(C)C 107421889 573593485 /nfs/dbraw/zinc/59/34/85/573593485.db2.gz DDQSDPVTNFIRDN-KCJUWKMLSA-N 1 0 191.274 2.288 10 0 AEAERO CC(C)C[C@@H](C)C[C@H](C)[NH3+] 78724360 573593491 /nfs/dbraw/zinc/59/34/91/573593491.db2.gz XGAIJQQCTCJWLN-BDAKNGLRSA-N 1 0 143.274 2.406 10 0 AEAERO Cc1cc([C@H](C)[NH3+])c(F)cc1F 86725558 573593519 /nfs/dbraw/zinc/59/35/19/573593519.db2.gz OJXGUIFDJKBDMU-LURJTMIESA-N 1 0 171.190 2.293 10 0 AEAERO Cc1oc2cc(F)ccc2c1CC[NH3+] 107424313 573593525 /nfs/dbraw/zinc/59/35/25/573593525.db2.gz OBNFOOREXQYBJS-UHFFFAOYSA-N 1 0 193.221 2.382 10 0 AEAERO C[C@@H](CC[NH3+])CNc1cccs1 258787822 573593555 /nfs/dbraw/zinc/59/35/55/573593555.db2.gz BUEYPUJKYDHJER-QMMMGPOBSA-N 1 0 184.308 2.145 10 0 AEAERO CC(=[NH2+])N1CCCC(C)(C)CC1 83681322 573593559 /nfs/dbraw/zinc/59/35/59/573593559.db2.gz GXFMQJWWMGPIIO-UHFFFAOYSA-N 1 0 168.284 2.496 10 0 AEAERO C[C@H](c1ccccn1)[C@H]1CCC[NH2+]C1 107420740 573593570 /nfs/dbraw/zinc/59/35/70/573593570.db2.gz DBOPNNDAQWQJGM-QWRGUYRKSA-N 1 0 190.290 2.185 10 0 AEAERO C[C@H](c1ccccn1)C1CC[NH2+]CC1 107420808 573593611 /nfs/dbraw/zinc/59/36/11/573593611.db2.gz NOJNPTJVMDFHMH-JTQLQIEISA-N 1 0 190.290 2.185 10 0 AEAERO C[NH2+]C[C@H]1c2cc(F)ccc2C[C@H]1C 107425072 573592843 /nfs/dbraw/zinc/59/28/43/573592843.db2.gz RKDIYONWROFRPT-PRHODGIISA-N 1 0 193.265 2.321 10 0 AEAERO C[C@H]([NH3+])[C@H]1c2ccccc2OC1(C)C 107421887 573592859 /nfs/dbraw/zinc/59/28/59/573592859.db2.gz DDQSDPVTNFIRDN-KWQFWETISA-N 1 0 191.274 2.288 10 0 AEAERO C[C@H]([NH3+])[C@@H]1c2ccccc2OC1(C)C 107421883 573592880 /nfs/dbraw/zinc/59/28/80/573592880.db2.gz DDQSDPVTNFIRDN-GZMMTYOYSA-N 1 0 191.274 2.288 10 0 AEAERO COc1ccc(C)cc1[C@H](F)CC[NH3+] 130482549 573592897 /nfs/dbraw/zinc/59/28/97/573592897.db2.gz DWCKIXHRYOGJMV-SNVBAGLBSA-N 1 0 197.253 2.363 10 0 AEAERO C[NH2+]Cc1coc(-c2ccsc2)n1 83682626 573592908 /nfs/dbraw/zinc/59/29/08/573592908.db2.gz ASMLUAGXWYMLNC-UHFFFAOYSA-N 1 0 194.259 2.123 10 0 AEAERO CCc1ccc(N[C@H]2CC[NH2+]C2)cc1 86724882 573592925 /nfs/dbraw/zinc/59/29/25/573592925.db2.gz FEBQWUZBHVPYJE-LBPRGKRZSA-N 1 0 190.290 2.023 10 0 AEAERO C[C@@H](C[NH3+])[C@@H]1CCOc2ccccc21 107421752 573592966 /nfs/dbraw/zinc/59/29/66/573592966.db2.gz PZNGZKLCGZWOHM-UWVGGRQHSA-N 1 0 191.274 2.148 10 0 AEAERO C[C@H]1Cc2ccc(F)cc2[C@@H]1CC[NH3+] 107424952 573592982 /nfs/dbraw/zinc/59/29/82/573592982.db2.gz PNEIDZRKUMADBZ-GZMMTYOYSA-N 1 0 193.265 2.450 10 0 AEAERO CC[C@H]1CC[N@@H+]1CC(O)(CC)CC 308405646 573592994 /nfs/dbraw/zinc/59/29/94/573592994.db2.gz LKVODGJITYFNIT-JTQLQIEISA-N 1 0 185.311 2.022 10 0 AEAERO C[NH2+]C[C@@H]1c2cc(F)ccc2C[C@H]1C 107425076 573593021 /nfs/dbraw/zinc/59/30/21/573593021.db2.gz RKDIYONWROFRPT-PELKAZGASA-N 1 0 193.265 2.321 10 0 AEAERO C[C@H](c1ccccn1)[C@@H]1CCC[NH2+]C1 107420730 573593042 /nfs/dbraw/zinc/59/30/42/573593042.db2.gz DBOPNNDAQWQJGM-WDEREUQCSA-N 1 0 190.290 2.185 10 0 AEAERO C[NH2+]C[C@@H](C)N1CCCC(C)(C)CC1 83681167 573593088 /nfs/dbraw/zinc/59/30/88/573593088.db2.gz ZWKFBANXMCMKKG-LLVKDONJSA-N 1 0 198.354 2.106 10 0 AEAERO C[C@H](C[NH3+])[C@@H]1CCOc2ccccc21 107421754 573593091 /nfs/dbraw/zinc/59/30/91/573593091.db2.gz PZNGZKLCGZWOHM-ZJUUUORDSA-N 1 0 191.274 2.148 10 0 AEAERO C[C@@H]1C[NH2+][C@@H](c2cccs2)C1 238455387 573593149 /nfs/dbraw/zinc/59/31/49/573593149.db2.gz VVVSWKSYRFBSBQ-JGVFFNPUSA-N 1 0 167.277 2.419 10 0 AEAERO Cc1oc2ccc(F)cc2c1CC[NH3+] 107424310 573593213 /nfs/dbraw/zinc/59/32/13/573593213.db2.gz ZLQMQMSGXWLXFS-UHFFFAOYSA-N 1 0 193.221 2.382 10 0 AEAERO C[C@@H]1Cc2c(F)cccc2[C@H]1CC[NH3+] 107424941 573593280 /nfs/dbraw/zinc/59/32/80/573593280.db2.gz PHPRCHBGQLPRPI-BDAKNGLRSA-N 1 0 193.265 2.450 10 0 AEAERO C[C@@H](C[NH3+])CC(C)(C)C 78724326 573593299 /nfs/dbraw/zinc/59/32/99/573593299.db2.gz TWUUDIAVXATXSA-SSDOTTSWSA-N 1 0 129.247 2.017 10 0 AEAERO C[NH2+]C[C@@H]1c2ccc(F)cc2C[C@@H]1C 107425088 573593301 /nfs/dbraw/zinc/59/33/01/573593301.db2.gz LCSPDUYEQLZAPA-UFBFGSQYSA-N 1 0 193.265 2.321 10 0 AEAERO c1ccc2c(c1)CO[C@@H]2[C@H]1CCC[NH2+]1 223163144 573593302 /nfs/dbraw/zinc/59/33/02/573593302.db2.gz OCRPONADUUTPED-NEPJUHHUSA-N 1 0 189.258 2.010 10 0 AEAERO C[C@H](c1ccccc1O)[C@H]1CCC[NH2+]1 107421615 573593318 /nfs/dbraw/zinc/59/33/18/573593318.db2.gz LSHQXOHVWGICRJ-MWLCHTKSSA-N 1 0 191.274 2.248 10 0 AEAERO C[C@@H]([NH3+])c1ccc2c(c1)SCCN2 259134814 573593344 /nfs/dbraw/zinc/59/33/44/573593344.db2.gz IFHAERNXUWKZLS-SSDOTTSWSA-N 1 0 194.303 2.224 10 0 AEAERO CC[C@@H]1CC[N@@H+]1CC(O)(CC)CC 308405647 573593427 /nfs/dbraw/zinc/59/34/27/573593427.db2.gz LKVODGJITYFNIT-SNVBAGLBSA-N 1 0 185.311 2.022 10 0 AEAERO C/C=C\C[NH2+]C(C)(C)CN(CC)CC 308632974 573593445 /nfs/dbraw/zinc/59/34/45/573593445.db2.gz UIJYIXQAJSQLFG-TWGQIWQCSA-N 1 0 198.354 2.273 10 0 AEAERO C[C@H]1CCc2cc(C[NH3+])ccc21 238455704 573593474 /nfs/dbraw/zinc/59/34/74/573593474.db2.gz DHIPKXRTGNYHNJ-QMMMGPOBSA-N 1 0 161.248 2.195 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DNSLWXQCLKXWPI-GHMZBOCLSA-N 1 0 197.322 2.334 10 0 AEAERO CC(C)C[NH2+]CC/C=C\C1=COCC1 308641821 573615757 /nfs/dbraw/zinc/61/57/57/573615757.db2.gz DMAWFRFWLQUWAJ-HYXAFXHYSA-N 1 0 195.306 2.483 10 0 AEAERO CCc1cc(O)cc(C2([NH3+])CCC2)c1 258070304 573615802 /nfs/dbraw/zinc/61/58/02/573615802.db2.gz MGRZJAAMQXHWNU-UHFFFAOYSA-N 1 0 191.274 2.293 10 0 AEAERO C/C=C\C[NH2+][C@H](C)CN1CCCCC1 308407906 573615952 /nfs/dbraw/zinc/61/59/52/573615952.db2.gz VZKRBJIHTPLROI-VSQXVHSFSA-N 1 0 196.338 2.027 10 0 AEAERO Cc1cccc2c(C[C@@H](C)[NH3+])onc12 257838022 573615999 /nfs/dbraw/zinc/61/59/99/573615999.db2.gz LHIQJWBTUVUGSN-MRVPVSSYSA-N 1 0 190.246 2.026 10 0 AEAERO Cc1cc(CCC2([NH3+])CC2)c(C)o1 257837699 573616059 /nfs/dbraw/zinc/61/60/59/573616059.db2.gz LNEUGDGUQHOKDX-UHFFFAOYSA-N 1 0 179.263 2.320 10 0 AEAERO CCO[C@H](C[NH3+])c1c(C)cccc1C 126655609 573616087 /nfs/dbraw/zinc/61/60/87/573616087.db2.gz IPCCUDVMVYJALZ-LLVKDONJSA-N 1 0 193.290 2.340 10 0 AEAERO C[NH2+]C1CCC2(CC1)CC2(F)F 257837676 573616128 /nfs/dbraw/zinc/61/61/28/573616128.db2.gz LLLINEFCUOTWNR-UHFFFAOYSA-N 1 0 175.222 2.174 10 0 AEAERO Cc1ccc(N[C@H](C)CC[NH3+])cc1 257837672 573616155 /nfs/dbraw/zinc/61/61/55/573616155.db2.gz LLFJZTIXRDRCAE-SNVBAGLBSA-N 1 0 178.279 2.144 10 0 AEAERO C[C@](F)(C1CCCC1)[C@H]1CC[NH2+]1 257837661 573616248 /nfs/dbraw/zinc/61/62/48/573616248.db2.gz LKRWNSAYDSOLJK-ZJUUUORDSA-N 1 0 171.259 2.267 10 0 AEAERO Cc1ccc([C@@](C)(F)CCC[NH3+])cn1 308643529 573616270 /nfs/dbraw/zinc/61/62/70/573616270.db2.gz FOHQSSLYJFPHGZ-NSHDSACASA-N 1 0 196.269 2.314 10 0 AEAERO Cc1ccc2c(c1)[C@H](C)[NH2+][C@@H](C)CO2 238451197 573617305 /nfs/dbraw/zinc/61/73/05/573617305.db2.gz XNCHFQRXXSSGFT-UWVGGRQHSA-N 1 0 191.274 2.427 10 0 AEAERO CCC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H]1C 308643283 573616618 /nfs/dbraw/zinc/61/66/18/573616618.db2.gz FFKLAQDRRADLSY-WDEREUQCSA-N 1 0 199.338 2.268 10 0 AEAERO C[C@H]1COc2ccc(F)cc2[C@H](C)[NH2+]1 238451365 573616747 /nfs/dbraw/zinc/61/67/47/573616747.db2.gz WEPMBTBNUITQBD-YUMQZZPRSA-N 1 0 195.237 2.257 10 0 AEAERO C[C@H]1[NH2+]CC/C1=C\c1ccccc1 75563842 573616923 /nfs/dbraw/zinc/61/69/23/573616923.db2.gz VVDHJLZWBGIATA-QSARLWQPSA-N 1 0 173.259 2.452 10 0 AEAERO CCSC1(CC[NH3+])CCCC1 259530427 573616964 /nfs/dbraw/zinc/61/69/64/573616964.db2.gz BBSCIOXNYRQBIU-UHFFFAOYSA-N 1 0 173.325 2.401 10 0 AEAERO CSCC[C@@H](C[NH3+])CC(C)C 130522112 573616975 /nfs/dbraw/zinc/61/69/75/573616975.db2.gz ROKFTIVPJDGGSF-SECBINFHSA-N 1 0 175.341 2.361 10 0 AEAERO C[C@H]1c2cccc(F)c2CC[C@@H]1C[NH3+] 258411877 573617004 /nfs/dbraw/zinc/61/70/04/573617004.db2.gz ZQRKNGBIBCDBPS-RKDXNWHRSA-N 1 0 193.265 2.450 10 0 AEAERO CCC[C@@H](C)[C@@H](C)[N@H+](CC)CCN 308642310 573617096 /nfs/dbraw/zinc/61/70/96/573617096.db2.gz FJYXSWLAXBDZCK-GHMZBOCLSA-N 1 0 186.343 2.092 10 0 AEAERO CCC(C)(C)[C@@H](N)C[N@H+](C)CC1CC1 308643273 573617233 /nfs/dbraw/zinc/61/72/33/573617233.db2.gz FFCQEJJQGIAWNN-NSHDSACASA-N 1 0 198.354 2.092 10 0 AEAERO C/C=C\C[NH2+]C[C@@H](C)N1CCCCC1 308407927 573617251 /nfs/dbraw/zinc/61/72/51/573617251.db2.gz WCTMJDPWGUHXCV-VSQXVHSFSA-N 1 0 196.338 2.027 10 0 AEAERO C[NH2+][C@@H](C)c1ccc2c(c1)OC[C@@H]2C 258075485 573621496 /nfs/dbraw/zinc/62/14/96/573621496.db2.gz MOLPBAHIDKZCFB-IUCAKERBSA-N 1 0 191.274 2.463 10 0 AEAERO C[NH2+][C@@H](CC1CCCC1)C1=COCC1 308643632 573621504 /nfs/dbraw/zinc/62/15/04/573621504.db2.gz FQPAFXOXQPOBQW-LBPRGKRZSA-N 1 0 195.306 2.459 10 0 AEAERO CC[C@@H](O)C[NH2+]CCC1(C)CCCC1 308644136 573621563 /nfs/dbraw/zinc/62/15/63/573621563.db2.gz FZQXWIGXXZZPRS-LLVKDONJSA-N 1 0 199.338 2.317 10 0 AEAERO CCC(C)(C)C(=O)C[N@@H+]1CCC[C@H]1C 308658659 573621718 /nfs/dbraw/zinc/62/17/18/573621718.db2.gz OTKVEUYVUWGYDM-SNVBAGLBSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@@H]1C[NH2+]CC2(CCCC2)C1 238452673 573621725 /nfs/dbraw/zinc/62/17/25/573621725.db2.gz KKDJRTVYZMFCKT-VIFPVBQESA-N 1 0 153.269 2.176 10 0 AEAERO C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)C1 107459742 573621730 /nfs/dbraw/zinc/62/17/30/573621730.db2.gz IMWBIBGFNRDAFB-RNFRBKRXSA-N 1 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573622050 /nfs/dbraw/zinc/62/20/50/573622050.db2.gz CQBKZOSDNQBYSA-VXGBXAGGSA-N 1 0 198.354 2.140 10 0 AEAERO [NH3+]CC[C@@H](F)Cc1ccccc1F 130527556 573622160 /nfs/dbraw/zinc/62/21/60/573622160.db2.gz ZRMDIURTIFZVCM-SECBINFHSA-N 1 0 185.217 2.055 10 0 AEAERO Cc1cccc(N[C@@H](C[NH3+])C(C)C)c1 83774532 573622185 /nfs/dbraw/zinc/62/21/85/573622185.db2.gz WKROXWYWASFSFD-LBPRGKRZSA-N 1 0 192.306 2.390 10 0 AEAERO C[NH2+]C[C@@H](F)c1ccc(Cl)o1 257834034 573622203 /nfs/dbraw/zinc/62/22/03/573622203.db2.gz LEXLAGDZEZFHFK-RXMQYKEDSA-N 1 0 177.606 2.163 10 0 AEAERO CC(C)c1nnc(C[NH2+]C(C)(C)C)o1 50616495 573622223 /nfs/dbraw/zinc/62/22/23/573622223.db2.gz COURPDWYMDECDL-UHFFFAOYSA-N 1 0 197.282 2.081 10 0 AEAERO C[NH2+][C@H](C(C)=O)c1ccc(C)cc1C 259131821 573622226 /nfs/dbraw/zinc/62/22/26/573622226.db2.gz BRIMNZKEDWNHJR-GFCCVEGCSA-N 1 0 191.274 2.153 10 0 AEAERO CC/C(=C/C[NH3+])c1ccccc1O 259533214 573622248 /nfs/dbraw/zinc/62/22/48/573622248.db2.gz BFVICJWBYNRYTN-CLFYSBASSA-N 1 0 177.247 2.144 10 0 AEAERO CC(C)N(C)C[C@@H](C)[NH2+]CC1CCC1 308643955 573622277 /nfs/dbraw/zinc/62/22/77/573622277.db2.gz FWFGJKZSNLUFEZ-LLVKDONJSA-N 1 0 198.354 2.105 10 0 AEAERO CC(C)c1ncc(CCC2([NH3+])CC2)o1 257837942 573625225 /nfs/dbraw/zinc/62/52/25/573625225.db2.gz LEOGGEHYUSQIGY-UHFFFAOYSA-N 1 0 194.278 2.222 10 0 AEAERO CC[C@H](C[NH3+])Nc1cccc(Cl)c1 83764460 573625238 /nfs/dbraw/zinc/62/52/38/573625238.db2.gz FAMUAGTXWLVXTF-SECBINFHSA-N 1 0 198.697 2.489 10 0 AEAERO CC[C@H](O)C[NH2+]CCC1(C)CCCC1 308644137 573625241 /nfs/dbraw/zinc/62/52/41/573625241.db2.gz FZQXWIGXXZZPRS-NSHDSACASA-N 1 0 199.338 2.317 10 0 AEAERO Cc1ccccc1C[C@@H](F)CC[NH3+] 130539554 573625244 /nfs/dbraw/zinc/62/52/44/573625244.db2.gz ZERSNOPCPYWSOV-NSHDSACASA-N 1 0 181.254 2.224 10 0 AEAERO Oc1ccccc1[C@@H]1CC[NH2+]C12CC2 257834224 573625250 /nfs/dbraw/zinc/62/52/50/573625250.db2.gz KJVMOYNSEWXJHV-JTQLQIEISA-N 1 0 189.258 2.002 10 0 AEAERO C[NH2+]C[C@@](C)(F)c1ccc(C)s1 257834029 573625275 /nfs/dbraw/zinc/62/52/75/573625275.db2.gz 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573625351 /nfs/dbraw/zinc/62/53/51/573625351.db2.gz HQRJCRUGSSZLAG-YHYXMXQVSA-N 1 0 191.274 2.447 10 0 AEAERO CC(C)[C@]1(c2cccc(F)c2)C[C@H]1[NH3+] 257837959 573625353 /nfs/dbraw/zinc/62/53/53/573625353.db2.gz LFOLASMCFFURGC-NEPJUHHUSA-N 1 0 193.265 2.451 10 0 AEAERO CC(C)[C@@H](C[NH3+])Nc1ccccc1F 83773993 573625361 /nfs/dbraw/zinc/62/53/61/573625361.db2.gz DJVBZEFGDNQFKX-LLVKDONJSA-N 1 0 196.269 2.221 10 0 AEAERO Cc1cc(N)ccc1[C@@H]1CCC[NH2+]C1 238452926 573625382 /nfs/dbraw/zinc/62/53/82/573625382.db2.gz DZVUPVXFSMCIAL-SNVBAGLBSA-N 1 0 190.290 2.044 10 0 AEAERO CC(C)[C@@](C)(C[NH3+])Nc1ccccc1 83757984 573625401 /nfs/dbraw/zinc/62/54/01/573625401.db2.gz FCSCMVKBAUSDEI-GFCCVEGCSA-N 1 0 192.306 2.472 10 0 AEAERO [NH3+]Cc1nccn1C1CCCCCC1 96551243 573625447 /nfs/dbraw/zinc/62/54/47/573625447.db2.gz FBWBIMLDXXLRAK-UHFFFAOYSA-N 1 0 193.294 2.237 10 0 AEAERO Cc1cc([C@@H](C)C[NH3+])c(C)cc1O 75569485 573625479 /nfs/dbraw/zinc/62/54/79/573625479.db2.gz VYMDQZKPGFOBLC-VIFPVBQESA-N 1 0 179.263 2.071 10 0 AEAERO Oc1cccc2c1CC[C@@H]2[NH+]1CCC1 257837918 573625498 /nfs/dbraw/zinc/62/54/98/573625498.db2.gz LDOHCEZHNICDOX-NSHDSACASA-N 1 0 189.258 2.085 10 0 AEAERO CCC[C@H](C)C[C@H](F)CC[NH3+] 130537364 573625527 /nfs/dbraw/zinc/62/55/27/573625527.db2.gz CWDADQHFZAEBIF-DTWKUNHWSA-N 1 0 161.264 2.500 10 0 AEAERO C[C@@H]1CCC[C@]1(CN)[NH2+]C1CCCC1 83762196 573625614 /nfs/dbraw/zinc/62/56/14/573625614.db2.gz OMWLJONOUHGVRT-ZYHUDNBSSA-N 1 0 196.338 2.036 10 0 AEAERO Oc1cccc2c1CC[C@H]2[NH+]1CCC1 257837917 573625653 /nfs/dbraw/zinc/62/56/53/573625653.db2.gz LDOHCEZHNICDOX-LLVKDONJSA-N 1 0 189.258 2.085 10 0 AEAERO Cc1cc(N)ccc1[C@H]1CCC[NH2+]C1 238453406 573625658 /nfs/dbraw/zinc/62/56/58/573625658.db2.gz DZVUPVXFSMCIAL-JTQLQIEISA-N 1 0 190.290 2.044 10 0 AEAERO Cc1ccccc1N[C@H](C[NH3+])C1CC1 83774742 573625668 /nfs/dbraw/zinc/62/56/68/573625668.db2.gz PAPIUORENLCBPA-GFCCVEGCSA-N 1 0 190.290 2.144 10 0 AEAERO C[NH2+]C[C@](C)(F)c1ccc(C)s1 257834030 573625681 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84066568 573763843 /nfs/dbraw/zinc/76/38/43/573763843.db2.gz FBQBULUUJQCGGQ-SECBINFHSA-N 1 0 151.253 2.237 10 0 AEAERO CCCC[N@@H+]1C[C@H](CO)CCC1(C)C 259184696 573763850 /nfs/dbraw/zinc/76/38/50/573763850.db2.gz BIWSOSQLLLOODP-LLVKDONJSA-N 1 0 199.338 2.269 10 0 AEAERO CC[C@H](CCCCOC)[C@@H](C)[NH3+] 130988816 573763852 /nfs/dbraw/zinc/76/38/52/573763852.db2.gz DNJROBCSLYEVIB-NXEZZACHSA-N 1 0 173.300 2.177 10 0 AEAERO Cc1ncc([C@H]([NH3+])[C@H](C)C(C)C)s1 642819214 573763853 /nfs/dbraw/zinc/76/38/53/573763853.db2.gz ADAILXIMBBBRIO-GMSGAONNSA-N 1 0 197.327 2.416 10 0 AEAERO Cc1[nH+]c(N[C@@H]2CC2(C)C)ccc1N 122548521 573763901 /nfs/dbraw/zinc/76/39/01/573763901.db2.gz QVTLFLKDFVBRIL-SECBINFHSA-N 1 0 191.278 2.183 10 0 AEAERO C[NH2+][C@H](C)C[C@H](C)[C@H]1CCC[C@@H]1OC 308709175 573763979 /nfs/dbraw/zinc/76/39/79/573763979.db2.gz XSOQGHLBNFDBMQ-QCNOEVLYSA-N 1 0 199.338 2.436 10 0 AEAERO CC[NH2+][C@@H](Cc1ccco1)C(C)C 131002476 573763991 /nfs/dbraw/zinc/76/39/91/573763991.db2.gz 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573764262 /nfs/dbraw/zinc/76/42/62/573764262.db2.gz WJOAWATXAFKPSF-QMMMGPOBSA-N 1 0 197.278 2.280 10 0 AEAERO Cc1ccccc1[C@@](C)(F)C1C[NH2+]C1 257869013 573764263 /nfs/dbraw/zinc/76/42/63/573764263.db2.gz SPLYSDXBQBREKH-LBPRGKRZSA-N 1 0 193.265 2.399 10 0 AEAERO CC(C)([NH3+])C1=CCc2c(O)cccc21 257869086 573764291 /nfs/dbraw/zinc/76/42/91/573764291.db2.gz SRYTZZLWTJBMKL-UHFFFAOYSA-N 1 0 189.258 2.069 10 0 AEAERO Cc1cccc([C@@H]2CC[NH2+]C[C@@H]2F)c1 238508420 573764320 /nfs/dbraw/zinc/76/43/20/573764320.db2.gz LJHVPHQKFWERIO-RYUDHWBXSA-N 1 0 193.265 2.410 10 0 AEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 308712640 573767116 /nfs/dbraw/zinc/76/71/16/573767116.db2.gz ZPANFFNSOKRUHS-WDEREUQCSA-N 1 0 197.322 2.332 10 0 AEAERO COC[C@H](C)[C@@H](C)N1CCCCC1=[NH2+] 308712905 573767123 /nfs/dbraw/zinc/76/71/23/573767123.db2.gz ZTQCPXUZMUJQDN-VHSXEESVSA-N 1 0 198.310 2.121 10 0 AEAERO CC(C)C[C@@](C)(F)[C@@H](C)C[NH3+] 258422362 573767164 /nfs/dbraw/zinc/76/71/64/573767164.db2.gz CCJDIHKBMBOTAM-DTWKUNHWSA-N 1 0 161.264 2.356 10 0 AEAERO [NH3+]Cc1ccc(C2CCC2)nc1Cl 257872534 573767176 /nfs/dbraw/zinc/76/71/76/573767176.db2.gz TZNPXVMOJAMTCW-UHFFFAOYSA-N 1 0 196.681 2.461 10 0 AEAERO Cc1ccc([C@@H](O)[NH+]2CCCC2)cc1 238509312 573767194 /nfs/dbraw/zinc/76/71/94/573767194.db2.gz RFOHFKCRMXNRMT-GFCCVEGCSA-N 1 0 191.274 2.082 10 0 AEAERO C[C@@H]1C[C@H](C2CCSCC2)C[NH2+]1 258125117 573767197 /nfs/dbraw/zinc/76/71/97/573767197.db2.gz IRRMDHJXBHJMFR-SCZZXKLOSA-N 1 0 185.336 2.128 10 0 AEAERO CC[N@@H+]1CC[C@@H](CC2(O)CCCC2)C1 257872572 573767228 /nfs/dbraw/zinc/76/72/28/573767228.db2.gz AICFSVQLSBACKB-NSHDSACASA-N 1 0 197.322 2.023 10 0 AEAERO C[C@@H](C[NH3+])C1=Cc2ccc(F)cc2C1 257871407 573767269 /nfs/dbraw/zinc/76/72/69/573767269.db2.gz TVFGVSAUIHQXIM-QMMMGPOBSA-N 1 0 191.249 2.360 10 0 AEAERO COC[C@@H](C)[C@H](C)[NH2+]Cc1ccco1 308711710 573767299 /nfs/dbraw/zinc/76/72/99/573767299.db2.gz ZBUYYGFFGISFBE-ZJUUUORDSA-N 1 0 197.278 2.040 10 0 AEAERO CC(C)[NH2+]C/C=C/c1cscn1 127095207 573767305 /nfs/dbraw/zinc/76/73/05/573767305.db2.gz SPDKUWAHJDWCES-ONEGZZNKSA-N 1 0 182.292 2.154 10 0 AEAERO C/C=C\COc1ccc(C[NH2+]C)cc1 215370619 573767385 /nfs/dbraw/zinc/76/73/85/573767385.db2.gz HPIJRGSGDIVOGQ-ARJAWSKDSA-N 1 0 191.274 2.361 10 0 AEAERO Cc1cc([C@@H]2CCC[C@@H]([NH3+])C2)ccn1 238508628 573767413 /nfs/dbraw/zinc/76/74/13/573767413.db2.gz JOBUBJZXNAHTLN-ZYHUDNBSSA-N 1 0 190.290 2.375 10 0 AEAERO CCC(F)(F)[C@H]1CCC[N@H+](C)C1 258927997 573767440 /nfs/dbraw/zinc/76/74/40/573767440.db2.gz AFSXEKMOJCGHBE-QMMMGPOBSA-N 1 0 177.238 2.374 10 0 AEAERO C[NH2+]C[C@H](C)[C@@H](C)c1cccnc1C 715179252 573767458 /nfs/dbraw/zinc/76/74/58/573767458.db2.gz KJGSOSGISJQYMD-VHSXEESVSA-N 1 0 192.306 2.349 10 0 AEAERO CC(C)([NH3+])CC(F)(F)c1cc[nH]c1 258926845 573767466 /nfs/dbraw/zinc/76/74/66/573767466.db2.gz AAQRXNUCWMLSNR-UHFFFAOYSA-N 1 0 188.221 2.234 10 0 AEAERO C[NH2+][C@@H](Cc1ccco1)c1ccco1 131152840 573767480 /nfs/dbraw/zinc/76/74/80/573767480.db2.gz SOWSCUDUQUUYCK-JTQLQIEISA-N 1 0 191.230 2.376 10 0 AEAERO C[C@](F)(c1ccccc1F)[C@H]1CC[NH2+]1 257872513 573767713 /nfs/dbraw/zinc/76/77/13/573767713.db2.gz TZCIXKOUSBNONY-MNOVXSKESA-N 1 0 197.228 2.372 10 0 AEAERO Cc1cccc([C@@H]2CC[C@@H]([NH3+])C2)c1N 238509025 573767794 /nfs/dbraw/zinc/76/77/94/573767794.db2.gz PIELUFVZEYNJHC-NXEZZACHSA-N 1 0 190.290 2.172 10 0 AEAERO C[NH2+][C@H](C)C[C@@H](F)CC(C)C 258422422 573767824 /nfs/dbraw/zinc/76/78/24/573767824.db2.gz CCSUCNZPMJMDSL-BDAKNGLRSA-N 1 0 161.264 2.369 10 0 AEAERO CCC[NH2+][C@H](c1cn[nH]c1)C(C)(C)C 308710583 573767827 /nfs/dbraw/zinc/76/78/27/573767827.db2.gz YOPCWEWSZXECPC-SNVBAGLBSA-N 1 0 195.310 2.497 10 0 AEAERO CCC(F)(F)[C@@H]1CCC[N@H+](C)C1 258927996 573767876 /nfs/dbraw/zinc/76/78/76/573767876.db2.gz AFSXEKMOJCGHBE-MRVPVSSYSA-N 1 0 177.238 2.374 10 0 AEAERO CCSCCc1c(C)cc[nH+]c1N 131137880 573767905 /nfs/dbraw/zinc/76/79/05/573767905.db2.gz NAASCMXICXFHEC-UHFFFAOYSA-N 1 0 196.319 2.268 10 0 AEAERO C[NH2+][C@@H](C)C[C@H](F)CC(C)C 258422433 573767916 /nfs/dbraw/zinc/76/79/16/573767916.db2.gz CCSUCNZPMJMDSL-DTWKUNHWSA-N 1 0 161.264 2.369 10 0 AEAERO COC[C@H](C)[C@H](C)N1CCCCC1=[NH2+] 308712904 573767100 /nfs/dbraw/zinc/76/71/00/573767100.db2.gz ZTQCPXUZMUJQDN-UWVGGRQHSA-N 1 0 198.310 2.121 10 0 AEAERO CCSCCCc1cc[nH+]c(N)c1 131137039 573770260 /nfs/dbraw/zinc/77/02/60/573770260.db2.gz VPVWTAFQOXTTFI-UHFFFAOYSA-N 1 0 196.319 2.350 10 0 AEAERO CC(C)(C)c1csc(C2([NH3+])CC2)n1 257872376 573770341 /nfs/dbraw/zinc/77/03/41/573770341.db2.gz TXBDWZRISJKKBA-UHFFFAOYSA-N 1 0 196.319 2.388 10 0 AEAERO CC(C)[NH2+]C[C@H]1CCC[C@H](C2CC2)O1 308713128 573770357 /nfs/dbraw/zinc/77/03/57/573770357.db2.gz ZVHQSBIXNAOWOY-VXGBXAGGSA-N 1 0 197.322 2.332 10 0 AEAERO CSCCCc1cc(C)c[nH+]c1N 131138509 573770363 /nfs/dbraw/zinc/77/03/63/573770363.db2.gz YGKCVVCYQNCOSN-UHFFFAOYSA-N 1 0 196.319 2.268 10 0 AEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 308712632 573770387 /nfs/dbraw/zinc/77/03/87/573770387.db2.gz ZPANFFNSOKRUHS-MNOVXSKESA-N 1 0 197.322 2.332 10 0 AEAERO CC(C)[NH2+]C[C@@H]1CCC[C@@H](C2CC2)O1 308713127 573770399 /nfs/dbraw/zinc/77/03/99/573770399.db2.gz ZVHQSBIXNAOWOY-RYUDHWBXSA-N 1 0 197.322 2.332 10 0 AEAERO C[C@H]([NH3+])[C@H](C)Cc1ccncc1Cl 84085507 573770454 /nfs/dbraw/zinc/77/04/54/573770454.db2.gz FXKYYHKEYZHCHY-SFYZADRCSA-N 1 0 198.697 2.261 10 0 AEAERO C[NH2+]C[C@H]1CCCc2cccc(F)c21 257871302 573770458 /nfs/dbraw/zinc/77/04/58/573770458.db2.gz SZKCFEFKGJDRNZ-SNVBAGLBSA-N 1 0 193.265 2.465 10 0 AEAERO CC(C)c1[nH+]cc2ccc(O)cn12 257870915 573770492 /nfs/dbraw/zinc/77/04/92/573770492.db2.gz AZLXTEPPMHZMAV-UHFFFAOYSA-N 1 0 176.219 2.163 10 0 AEAERO CCC[C@@H](C[NH3+])CCCCOC 131148734 573770494 /nfs/dbraw/zinc/77/04/94/573770494.db2.gz INZDFHFHVLQLRT-SNVBAGLBSA-N 1 0 173.300 2.178 10 0 AEAERO CCCC(F)(F)C(C)(C)C[NH3+] 258932781 573770522 /nfs/dbraw/zinc/77/05/22/573770522.db2.gz BBADUGBRLPVLMV-UHFFFAOYSA-N 1 0 165.227 2.407 10 0 AEAERO [NH3+]Cc1ccc(OC/C=C\Cl)cc1 215370264 573770524 /nfs/dbraw/zinc/77/05/24/573770524.db2.gz BBBSLJMPEJNWEM-BHQIHCQQSA-N 1 0 197.665 2.277 10 0 AEAERO C[C@@](F)(C1CCCC1)C(F)(F)C[NH3+] 257871420 573770579 /nfs/dbraw/zinc/77/05/79/573770579.db2.gz TVXHRDOZWONSOA-MRVPVSSYSA-N 1 0 195.228 2.499 10 0 AEAERO c1cn2c(C3CC3)ncc2s1 238096602 573770587 /nfs/dbraw/zinc/77/05/87/573770587.db2.gz FYHDYVVIRNLEOP-UHFFFAOYSA-N 1 0 164.233 2.273 10 0 AEAERO Cc1cc([C@@H]2CCC[C@@H]2[NH3+])ccc1N 238508892 573770614 /nfs/dbraw/zinc/77/06/14/573770614.db2.gz AYOGDOKRSYYURV-JQWIXIFHSA-N 1 0 190.290 2.172 10 0 AEAERO C[NH2+]C[C@@H](CCCCOC)C(C)C 131154974 573770624 /nfs/dbraw/zinc/77/06/24/573770624.db2.gz LORKIMMGSBBNQW-LLVKDONJSA-N 1 0 187.327 2.295 10 0 AEAERO CC[NH2+]C[C@@]1(C2CCC2)CCO[C@@H]1C 127092010 573770635 /nfs/dbraw/zinc/77/06/35/573770635.db2.gz GVKKATIZZHKOHM-PWSUYJOCSA-N 1 0 197.322 2.191 10 0 AEAERO C[C@@]1(CC2CC2)CCC[C@@H](CC[NH3+])O1 308710705 573770703 /nfs/dbraw/zinc/77/07/03/573770703.db2.gz YPMSKQLHIFYIRG-RYUDHWBXSA-N 1 0 197.322 2.463 10 0 AEAERO Cc1ccc2cc(NC[NH3+])ccc2c1 258933961 573770708 /nfs/dbraw/zinc/77/07/08/573770708.db2.gz SCPSBYQSOHEILU-UHFFFAOYSA-N 1 0 186.258 2.476 10 0 AEAERO Cc1ccc2c(c1)CC1(CC1)[NH2+]CC2 259620656 573770724 /nfs/dbraw/zinc/77/07/24/573770724.db2.gz FGDXLPHFPWZTNE-UHFFFAOYSA-N 1 0 187.286 2.216 10 0 AEAERO Cc1cccc([C@@H]2CC[C@@H]([NH3+])C2)c1O 238509048 573770783 /nfs/dbraw/zinc/77/07/83/573770783.db2.gz MUGWSCJZAPLQRJ-NXEZZACHSA-N 1 0 191.274 2.295 10 0 AEAERO CCC[NH2+]CCc1ccncc1Cl 84086956 573770799 /nfs/dbraw/zinc/77/07/99/573770799.db2.gz DRAYDIBKCRKGBP-UHFFFAOYSA-N 1 0 198.697 2.277 10 0 AEAERO CC[N@@H+]1CC[C@H](CC2(O)CCCC2)C1 257872571 573770840 /nfs/dbraw/zinc/77/08/40/573770840.db2.gz AICFSVQLSBACKB-LLVKDONJSA-N 1 0 197.322 2.023 10 0 AEAERO COC[C@@H](C)[C@@H](C)N1CCCCC1=[NH2+] 308712902 573770845 /nfs/dbraw/zinc/77/08/45/573770845.db2.gz ZTQCPXUZMUJQDN-NXEZZACHSA-N 1 0 198.310 2.121 10 0 AEAERO C[C@@H]1c2ccc(O)cc2CC[C@@H]1C[NH3+] 258124344 573770875 /nfs/dbraw/zinc/77/08/75/573770875.db2.gz KAXHHGATXKRQFH-WCBMZHEXSA-N 1 0 191.274 2.017 10 0 AEAERO C[NH2+][C@H](Cc1ccoc1)c1ccco1 131152612 573770886 /nfs/dbraw/zinc/77/08/86/573770886.db2.gz ZNRUUSLCSJZXQV-SNVBAGLBSA-N 1 0 191.230 2.376 10 0 AEAERO C[C@@H]1c2ccc(O)cc2CC[C@H]1C[NH3+] 258124349 573770891 /nfs/dbraw/zinc/77/08/91/573770891.db2.gz KAXHHGATXKRQFH-WPRPVWTQSA-N 1 0 191.274 2.017 10 0 AEAERO CC(C)C[C@](C)(F)[C@@H](C)C[NH3+] 258422372 573770958 /nfs/dbraw/zinc/77/09/58/573770958.db2.gz CCJDIHKBMBOTAM-IUCAKERBSA-N 1 0 161.264 2.356 10 0 AEAERO C[C@H]1C[C@H](C2CCSCC2)C[NH2+]1 258125124 573770975 /nfs/dbraw/zinc/77/09/75/573770975.db2.gz IRRMDHJXBHJMFR-WPRPVWTQSA-N 1 0 185.336 2.128 10 0 AEAERO CCC[C@H](C[NH3+])CCCCOC 131148531 573770993 /nfs/dbraw/zinc/77/09/93/573770993.db2.gz INZDFHFHVLQLRT-JTQLQIEISA-N 1 0 173.300 2.178 10 0 AEAERO CCC[C@@H](CCCCOC)C[NH2+]C 131151834 573771009 /nfs/dbraw/zinc/77/10/09/573771009.db2.gz REXBCUPRQLISDN-NSHDSACASA-N 1 0 187.327 2.439 10 0 AEAERO CCC[C@]1(C)CC[C@H](C[NH2+]C2CC2)O1 308712897 573771096 /nfs/dbraw/zinc/77/10/96/573771096.db2.gz ZTBGERBRFXLROJ-VXGBXAGGSA-N 1 0 197.322 2.476 10 0 AEAERO C[NH2+]CC1CCC2(CC1)CC2(F)F 257875270 573772393 /nfs/dbraw/zinc/77/23/93/573772393.db2.gz UJLDMWUYSNPZQO-UHFFFAOYSA-N 1 0 189.249 2.421 10 0 AEAERO CC1NC(=C2C=C[NH+]=C2)SC1=O 259179800 573772443 /nfs/dbraw/zinc/77/24/43/573772443.db2.gz GEYXYZWVNPPMJE-UHFFFAOYSA-N 1 0 180.232 2.152 10 0 AEAERO CC(C)[N@@H+]1CCC[C@H](CCO)C1(C)C 259567257 573772453 /nfs/dbraw/zinc/77/24/53/573772453.db2.gz YKCNPNIWNOSOTP-LLVKDONJSA-N 1 0 199.338 2.268 10 0 AEAERO C[C@H]1Cc2c(cccc2[C@H](C)[NH3+])N1 258126861 573772471 /nfs/dbraw/zinc/77/24/71/573772471.db2.gz PKTSSGIDWDRBDG-YUMQZZPRSA-N 1 0 176.263 2.063 10 0 AEAERO CCCc1nnc([C@@H](CC)[NH2+]C)s1 84121746 573772540 /nfs/dbraw/zinc/77/25/40/573772540.db2.gz ABKAAISRKILWBJ-SSDOTTSWSA-N 1 0 199.323 2.161 10 0 AEAERO CC/C(=C\[C@H]1CC1(F)F)C1C[NH2+]C1 716165229 573772575 /nfs/dbraw/zinc/77/25/75/573772575.db2.gz UYWBDGARNWXPLC-HMVTZJNGSA-N 1 0 187.233 2.197 10 0 AEAERO [NH3+][C@H]1CCCCC[C@@H]1OCCC1CC1 131169814 573772580 /nfs/dbraw/zinc/77/25/80/573772580.db2.gz UPMIFEGFZQISRD-RYUDHWBXSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@@H](C[NH2+]CC(C)(C)O)C(C)C 308434943 573772591 /nfs/dbraw/zinc/77/25/91/573772591.db2.gz VSOYJHZMFAQSIJ-JTQLQIEISA-N 1 0 187.327 2.029 10 0 AEAERO CC[C@H](N)[C@@H](C)[N@@H+]1CCC[C@@H]1C(C)C 84125787 573772593 /nfs/dbraw/zinc/77/25/93/573772593.db2.gz RYLGPXZRAJIFQM-GRYCIOLGSA-N 1 0 198.354 2.233 10 0 AEAERO Cc1cc([C@@H]2CC[C@@H]([NH3+])C2)ccc1O 238511550 573772601 /nfs/dbraw/zinc/77/26/01/573772601.db2.gz KRYFZPUYERGHEY-GHMZBOCLSA-N 1 0 191.274 2.295 10 0 AEAERO Cc1cc(C[C@H](C)C[NH3+])ccc1F 84128306 573772645 /nfs/dbraw/zinc/77/26/45/573772645.db2.gz OJJBEAHVTWNGFH-QMMMGPOBSA-N 1 0 181.254 2.271 10 0 AEAERO CCO[C@H]1C[C@H]1[NH2+]CC(C)(C)CC 308434926 573772651 /nfs/dbraw/zinc/77/26/51/573772651.db2.gz VRVCGQBDAIMYLN-ZJUUUORDSA-N 1 0 185.311 2.190 10 0 AEAERO CCC(CC)(CO)[NH2+][C@@H](C)C1CCC1 308717580 573772682 /nfs/dbraw/zinc/77/26/82/573772682.db2.gz BVXWHWZOADLRSO-JTQLQIEISA-N 1 0 199.338 2.316 10 0 AEAERO CC(=O)CC[N@@H+](C)CCC(C)(C)C 258934295 573772707 /nfs/dbraw/zinc/77/27/07/573772707.db2.gz PLTDQOKDTBYWOI-UHFFFAOYSA-N 1 0 185.311 2.334 10 0 AEAERO Cn1cccc1[C@@H]1CCCC[C@@H]1[NH3+] 238511507 573772716 /nfs/dbraw/zinc/77/27/16/573772716.db2.gz VDZFZSSSTCOSDQ-ZJUUUORDSA-N 1 0 178.279 2.010 10 0 AEAERO CC(C)[C@H](C)c1nnc([C@H](C)[NH3+])s1 84117394 573772718 /nfs/dbraw/zinc/77/27/18/573772718.db2.gz AFKQVOPKGSOTMT-BQBZGAKWSA-N 1 0 199.323 2.317 10 0 AEAERO CCc1cc([C@H](C)[NH3+])c(OC)cc1F 258126556 573772729 /nfs/dbraw/zinc/77/27/29/573772729.db2.gz RDHIIHHDAYNHKC-ZETCQYMHSA-N 1 0 197.253 2.416 10 0 AEAERO CC(C)[C@H]1CCCN1C(=[NH2+])C1CC1 84128309 573772743 /nfs/dbraw/zinc/77/27/43/573772743.db2.gz NTPHKKLUYZOJKT-SNVBAGLBSA-N 1 0 180.295 2.494 10 0 AEAERO CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]2C)CCO1 308717126 573772768 /nfs/dbraw/zinc/77/27/68/573772768.db2.gz BTBLPQYBVNHYHR-KKOKHZNYSA-N 1 0 197.322 2.190 10 0 AEAERO CC(C)(CC[NH3+])c1ccccc1O 238099701 573772835 /nfs/dbraw/zinc/77/28/35/573772835.db2.gz PZSFRMJSFRKGSB-UHFFFAOYSA-N 1 0 179.263 2.019 10 0 AEAERO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCCC1=O 84126640 573772864 /nfs/dbraw/zinc/77/28/64/573772864.db2.gz IAABFYHDKIQVMK-WDEREUQCSA-N 1 0 195.306 2.228 10 0 AEAERO CCSC[C@H]1CCC[NH2+]CC1 258127656 573772884 /nfs/dbraw/zinc/77/28/84/573772884.db2.gz WPAVDKGHDBKSHV-VIFPVBQESA-N 1 0 173.325 2.129 10 0 AEAERO CC(C)c1ccc(CN(C)C[NH3+])cc1 258940348 573772895 /nfs/dbraw/zinc/77/28/95/573772895.db2.gz STRCBDMMFAPASL-UHFFFAOYSA-N 1 0 192.306 2.158 10 0 AEAERO CCC1(C[NH2+][C@@H]2CC=CCC2)COC1 308716980 573772896 /nfs/dbraw/zinc/77/28/96/573772896.db2.gz BSAYHTODRXZBMW-LLVKDONJSA-N 1 0 195.306 2.111 10 0 AEAERO CC(C)CC[C@@H]([NH3+])[C@H]1CCCCO1 125071595 573772902 /nfs/dbraw/zinc/77/29/02/573772902.db2.gz SXYHOLRYGAXXID-GHMZBOCLSA-N 1 0 185.311 2.319 10 0 AEAERO [NH3+][C@H]1CCCCC[C@H]1OCCCF 131159112 573772918 /nfs/dbraw/zinc/77/29/18/573772918.db2.gz MXMULUBGQVLMOB-VHSXEESVSA-N 1 0 189.274 2.023 10 0 AEAERO CSC1(C[NH2+][C@@H]2C[C@@H]2C2CC2)CC1 393562602 573773008 /nfs/dbraw/zinc/77/30/08/573773008.db2.gz AFIKCZQABSNXMB-NXEZZACHSA-N 1 0 197.347 2.270 10 0 AEAERO CC(C)c1ccnc([C@@H](C)[NH3+])c1 259181105 573773011 /nfs/dbraw/zinc/77/30/11/573773011.db2.gz IERVASBBJDYJEJ-MRVPVSSYSA-N 1 0 164.252 2.225 10 0 AEAERO CCCC1C[C@H]2C[NH2+]C[C@@H]2C1 259181243 573773027 /nfs/dbraw/zinc/77/30/27/573773027.db2.gz IGIHGQKJIFHUDI-UWVGGRQHSA-N 1 0 153.269 2.032 10 0 AEAERO Cc1ccsc1NC[C@@H](C)CC[NH3+] 258934486 573773076 /nfs/dbraw/zinc/77/30/76/573773076.db2.gz PVCPVGPFQHPOML-QMMMGPOBSA-N 1 0 198.335 2.453 10 0 AEAERO C[C@@H]([NH3+])Cc1ccc(CCCF)cc1 258126431 573773077 /nfs/dbraw/zinc/77/30/77/573773077.db2.gz RAMUPYCAVXPEQF-SNVBAGLBSA-N 1 0 195.281 2.478 10 0 AEAERO CCC1CC([NH2+]C[C@H](CC)N(C)C)C1 308714576 573773085 /nfs/dbraw/zinc/77/30/85/573773085.db2.gz AOMARNZPJOXJNA-MCIGGMRASA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](CCCCOC)C[NH2+]C 131158026 573773160 /nfs/dbraw/zinc/77/31/60/573773160.db2.gz IRVVCFSHJHTGLN-SNVBAGLBSA-N 1 0 173.300 2.049 10 0 AEAERO C[NH2+][C@@H](C)c1nnc(C2CCC2)s1 84119914 573773178 /nfs/dbraw/zinc/77/31/78/573773178.db2.gz SLZASGSMTJBRGV-LURJTMIESA-N 1 0 197.307 2.086 10 0 AEAERO CC[C@](C)(C[NH3+])CCCCOC 131163407 573773216 /nfs/dbraw/zinc/77/32/16/573773216.db2.gz COSXCGXSMOQPJA-JTQLQIEISA-N 1 0 173.300 2.178 10 0 AEAERO CCC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2C1 259181238 573773244 /nfs/dbraw/zinc/77/32/44/573773244.db2.gz IGIHGQKJIFHUDI-ILWJIGKKSA-N 1 0 153.269 2.032 10 0 AEAERO CC[C@H](CC1CC1)[NH2+]Cc1cocn1 308719164 573773250 /nfs/dbraw/zinc/77/32/50/573773250.db2.gz CMWAFLVDLVTSGW-SNVBAGLBSA-N 1 0 194.278 2.343 10 0 AEAERO Cc1cc(O)c(Cl)cc1[C@@H](C)C[NH3+] 258126903 573774178 /nfs/dbraw/zinc/77/41/78/573774178.db2.gz MSUSUWAWEPXNLQ-ZETCQYMHSA-N 1 0 199.681 2.416 10 0 AEAERO CC[C@H](C)[N@@H+]1CC[C@H](CCO)C1(C)C 259178897 573774205 /nfs/dbraw/zinc/77/42/05/573774205.db2.gz AZTLWDBAEQUMRW-WDEREUQCSA-N 1 0 199.338 2.268 10 0 AEAERO Cc1nc(C)c(C(F)F)cc1O 238510420 573774232 /nfs/dbraw/zinc/77/42/32/573774232.db2.gz DRUUVIKJFTYZHS-UHFFFAOYSA-N 1 0 173.162 2.342 10 0 AEAERO CC(=O)C[NH2+]Cc1ccc(Cl)cc1 258934188 573774282 /nfs/dbraw/zinc/77/42/82/573774282.db2.gz PHCSLYFNVIDHPQ-UHFFFAOYSA-N 1 0 197.665 2.019 10 0 AEAERO CC[C@H]([NH3+])c1nnc([C@H]2C[C@@H]2C)s1 84117800 573774319 /nfs/dbraw/zinc/77/43/19/573774319.db2.gz VEGGUQQGKIHLLS-ACZMJKKPSA-N 1 0 197.307 2.071 10 0 AEAERO Cc1cc([C@@H]2CC[NH2+]C2)cc(C)c1O 238510221 573774339 /nfs/dbraw/zinc/77/43/39/573774339.db2.gz PUEUULABYSJUJM-SNVBAGLBSA-N 1 0 191.274 2.086 10 0 AEAERO Cc1cc([C@@H]2CC[NH2+]C[C@H]2F)oc1C 238511159 573774430 /nfs/dbraw/zinc/77/44/30/573774430.db2.gz YQBRPRBNGIYFLR-NXEZZACHSA-N 1 0 197.253 2.311 10 0 AEAERO Cc1ccc(N)c2c(C)[nH+]ccc12 238510950 573774501 /nfs/dbraw/zinc/77/45/01/573774501.db2.gz DJAGBRVCODPNSW-UHFFFAOYSA-N 1 0 172.231 2.434 10 0 AEAERO CO[C@H]1C[C@@H]([NH2+]C2CC(C(C)C)C2)C1 308714691 573774519 /nfs/dbraw/zinc/77/45/19/573774519.db2.gz ATHZIJGRTHDEHQ-CAODYFQJSA-N 1 0 197.322 2.188 10 0 AEAERO CCC1(C[NH2+][C@H]2CC=CCC2)COC1 308716981 573774539 /nfs/dbraw/zinc/77/45/39/573774539.db2.gz BSAYHTODRXZBMW-NSHDSACASA-N 1 0 195.306 2.111 10 0 AEAERO CC[C@H](C[NH2+]CC(C)(C)O)C(C)C 308434944 573774567 /nfs/dbraw/zinc/77/45/67/573774567.db2.gz VSOYJHZMFAQSIJ-SNVBAGLBSA-N 1 0 187.327 2.029 10 0 AEAERO CCCC1C[C@@H]2C[NH2+]C[C@H]2C1 259181240 573774580 /nfs/dbraw/zinc/77/45/80/573774580.db2.gz IGIHGQKJIFHUDI-NXEZZACHSA-N 1 0 153.269 2.032 10 0 AEAERO CC[C@@H](CC1CC1)[NH2+]Cc1cocn1 308719163 573774581 /nfs/dbraw/zinc/77/45/81/573774581.db2.gz CMWAFLVDLVTSGW-JTQLQIEISA-N 1 0 194.278 2.343 10 0 AEAERO CC[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1(C)C 259178890 573774632 /nfs/dbraw/zinc/77/46/32/573774632.db2.gz AZTLWDBAEQUMRW-MNOVXSKESA-N 1 0 199.338 2.268 10 0 AEAERO C1CCC2(CC1)[NH2+]CCCCO2 238100015 573774641 /nfs/dbraw/zinc/77/46/41/573774641.db2.gz XEEZYLDCPBKGHT-UHFFFAOYSA-N 1 0 169.268 2.047 10 0 AEAERO CCC1CC([NH2+]CC2(OC)CCC2)C1 308714050 573774666 /nfs/dbraw/zinc/77/46/66/573774666.db2.gz AJARLMUZCTZJGC-UHFFFAOYSA-N 1 0 197.322 2.334 10 0 AEAERO Cn1cccc1[C@@H]1CCCC[C@H]1[NH3+] 238511529 573774678 /nfs/dbraw/zinc/77/46/78/573774678.db2.gz VDZFZSSSTCOSDQ-NXEZZACHSA-N 1 0 178.279 2.010 10 0 AEAERO Cc1cc([C@@H]2CC[NH2+]C2)cc(Cl)n1 238510245 573774688 /nfs/dbraw/zinc/77/46/88/573774688.db2.gz SWYIPCKEZBDJOI-MRVPVSSYSA-N 1 0 196.681 2.120 10 0 AEAERO CC/C(=C/[C@H]1CC1(F)F)C1C[NH2+]C1 716165233 573774700 /nfs/dbraw/zinc/77/47/00/573774700.db2.gz UYWBDGARNWXPLC-XGLGWPIMSA-N 1 0 187.233 2.197 10 0 AEAERO CCC1CC([NH2+]C[C@H](CO)C(C)C)C1 308716422 573774740 /nfs/dbraw/zinc/77/47/40/573774740.db2.gz BIGAVTFNNCSJFO-MOENNCHZSA-N 1 0 199.338 2.029 10 0 AEAERO CCO[C@H](C[NH2+]C(C)C)[C@]1(C)C[C@H]1C 714744797 573774759 /nfs/dbraw/zinc/77/47/59/573774759.db2.gz NKHZBRGCLWJXFG-IJLUTSLNSA-N 1 0 199.338 2.436 10 0 AEAERO CC(C)OC1(CC[NH3+])CCCCC1 259620710 573774816 /nfs/dbraw/zinc/77/48/16/573774816.db2.gz FGQMUUZKRZHKLJ-UHFFFAOYSA-N 1 0 185.311 2.463 10 0 AEAERO CCC1CC([NH2+]CC[C@H]2CCCO2)C1 308714579 573774867 /nfs/dbraw/zinc/77/48/67/573774867.db2.gz AORGWNHQBSLGDB-HTAVTVPLSA-N 1 0 197.322 2.334 10 0 AEAERO CC/C(=C/[C@@H]1CC1(F)F)C1C[NH2+]C1 716165232 573774877 /nfs/dbraw/zinc/77/48/77/573774877.db2.gz UYWBDGARNWXPLC-SEYNBYMXSA-N 1 0 187.233 2.197 10 0 AEAERO C[NH2+]C[C@](C)(F)c1cccc(F)c1 257875420 573774886 /nfs/dbraw/zinc/77/48/86/573774886.db2.gz ZDQXIHLQVZMOLS-JTQLQIEISA-N 1 0 185.217 2.230 10 0 AEAERO Cc1ccsc1NC[C@H](C)CC[NH3+] 258934483 573774895 /nfs/dbraw/zinc/77/48/95/573774895.db2.gz PVCPVGPFQHPOML-MRVPVSSYSA-N 1 0 198.335 2.453 10 0 AEAERO CCO[C@H]1C[C@@H]1[NH2+]CC(C)(C)CC 308434923 573774943 /nfs/dbraw/zinc/77/49/43/573774943.db2.gz VRVCGQBDAIMYLN-UWVGGRQHSA-N 1 0 185.311 2.190 10 0 AEAERO Cc1ccc([C@@H]2CCCC[C@@H]2[NH3+])nc1 238513210 573776338 /nfs/dbraw/zinc/77/63/38/573776338.db2.gz WEJUNEUUOKJRGV-MNOVXSKESA-N 1 0 190.290 2.375 10 0 AEAERO CC(C)[C@@H]1CCCN1C(=[NH2+])C1CC1 84128308 573776370 /nfs/dbraw/zinc/77/63/70/573776370.db2.gz NTPHKKLUYZOJKT-JTQLQIEISA-N 1 0 180.295 2.494 10 0 AEAERO O[C@H](C[C@H]1CC[NH2+]1)C1CCCCCC1 257876298 573776397 /nfs/dbraw/zinc/77/63/97/573776397.db2.gz UPTIQSGRAZMXHE-VXGBXAGGSA-N 1 0 197.322 2.070 10 0 AEAERO CC[C@@H](CN1CCC[C@@H]1C(C)C)[NH2+]C 84125766 573776418 /nfs/dbraw/zinc/77/64/18/573776418.db2.gz AAVSLZRAZIVRJC-NWDGAFQWSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@]1(C[NH2+]C2CC2)CCO[C@@H]1C 127156851 573776447 /nfs/dbraw/zinc/77/64/47/573776447.db2.gz OLCAJXMRSHYFTF-ZYHUDNBSSA-N 1 0 197.322 2.334 10 0 AEAERO Cc1ccc(N)cc1[C@@H]([NH3+])C1CCC1 238513464 573776539 /nfs/dbraw/zinc/77/65/39/573776539.db2.gz DPPYGKHZFHHFIS-LBPRGKRZSA-N 1 0 190.290 2.377 10 0 AEAERO C[NH2+]C[C@@](C)(F)Cc1ccccc1F 257876962 573776567 /nfs/dbraw/zinc/77/65/67/573776567.db2.gz RJGYFDCWTJETRJ-NSHDSACASA-N 1 0 199.244 2.316 10 0 AEAERO [NH3+]CCC[C@@H]1CCSCC1(F)F 257876259 573776573 /nfs/dbraw/zinc/77/65/73/573776573.db2.gz UOYBJLGGLYPRHU-SSDOTTSWSA-N 1 0 195.278 2.114 10 0 AEAERO CCCC1(C[C@@H]2CCC[NH2+]C2)COC1 258935393 573776595 /nfs/dbraw/zinc/77/65/95/573776595.db2.gz XSCPEFJQRHKFCN-NSHDSACASA-N 1 0 197.322 2.193 10 0 AEAERO [NH3+][C@@H]1CCCCC[C@@H]1OCCCF 131159775 573776625 /nfs/dbraw/zinc/77/66/25/573776625.db2.gz MXMULUBGQVLMOB-ZJUUUORDSA-N 1 0 189.274 2.023 10 0 AEAERO C[NH2+]CCc1cc(F)c(F)cc1C 108370373 573776649 /nfs/dbraw/zinc/77/66/49/573776649.db2.gz XAFWZFCGIXPPSB-UHFFFAOYSA-N 1 0 185.217 2.035 10 0 AEAERO CC[NH2+][C@@H](CSC)Cc1ccco1 131157256 573776650 /nfs/dbraw/zinc/77/66/50/573776650.db2.gz FUSTZLTVZOGSCQ-SECBINFHSA-N 1 0 199.319 2.163 10 0 AEAERO Cc1ccc([C@@H]2CCCC[C@H]2[NH3+])nc1 238513453 573776687 /nfs/dbraw/zinc/77/66/87/573776687.db2.gz WEJUNEUUOKJRGV-GHMZBOCLSA-N 1 0 190.290 2.375 10 0 AEAERO 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41053993 573827709 /nfs/dbraw/zinc/82/77/09/573827709.db2.gz NOMHCTBRWPMDPF-VHSXEESVSA-N 1 0 193.290 2.364 10 0 AEAERO CC[C@@H]1CCC[N@@H+]1[C@@](C)(CN)C(C)C 41053684 573826962 /nfs/dbraw/zinc/82/69/62/573826962.db2.gz UVIBTGDVVVFEMK-NEPJUHHUSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@H](C)[NH2+]C[C@](C)(CC)[C@@H](C)O 131398924 573826976 /nfs/dbraw/zinc/82/69/76/573826976.db2.gz VAQUMZIJJREBLK-AXFHLTTASA-N 1 0 187.327 2.172 10 0 AEAERO CC[NH2+]C[C@H]1CCC[C@@H]1C 84325488 573826977 /nfs/dbraw/zinc/82/69/77/573826977.db2.gz PVAOXURNLCNCRX-DTWKUNHWSA-N 1 0 141.258 2.032 10 0 AEAERO CCC[N@H+](CC)[C@@](C)(CN)C(C)C 41053606 573826978 /nfs/dbraw/zinc/82/69/78/573826978.db2.gz FIPBBMWXLYDONJ-NSHDSACASA-N 1 0 186.343 2.092 10 0 AEAERO Cc1cc([C@H]2CC[NH2+]C2)cc(C)c1O 238524726 573826986 /nfs/dbraw/zinc/82/69/86/573826986.db2.gz PUEUULABYSJUJM-JTQLQIEISA-N 1 0 191.274 2.086 10 0 AEAERO C[C@@H](F)c1ccccc1OCCC[NH3+] 258149155 573826988 /nfs/dbraw/zinc/82/69/88/573826988.db2.gz 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/nfs/dbraw/zinc/86/48/08/573864808.db2.gz WZHZRPCVBGLMPH-NEPJUHHUSA-N 1 0 196.338 2.003 10 0 AEAERO C[C@@]1(c2cc(F)cc(F)c2)C[C@@H]1C[NH3+] 87283191 573864810 /nfs/dbraw/zinc/86/48/10/573864810.db2.gz XVERNRMZBAUCGE-KCJUWKMLSA-N 1 0 197.228 2.201 10 0 AEAERO Cc1ccc([C@]2(C)CC[NH2+]C2)cc1F 87284584 573864871 /nfs/dbraw/zinc/86/48/71/573864871.db2.gz XJCJYZQOHGLYSZ-GFCCVEGCSA-N 1 0 193.265 2.385 10 0 AEAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCC(C)CC1 43806804 573864153 /nfs/dbraw/zinc/86/41/53/573864153.db2.gz ONOBYKIQUWDVSO-NWDGAFQWSA-N 1 0 198.354 2.105 10 0 AEAERO C[NH2+][C@@H](C)CN(C)CC1CCCCC1 43968227 573872150 /nfs/dbraw/zinc/87/21/50/573872150.db2.gz MYQKOULWQNDZQM-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO CCC(CC)O[C@@H]1CCCC[C@@H]1[NH3+] 131518430 573872189 /nfs/dbraw/zinc/87/21/89/573872189.db2.gz LHYWQFPJYZWGEB-WDEREUQCSA-N 1 0 185.311 2.462 10 0 AEAERO CC[NH2+]C/C(=C/c1cccnc1)CC 211751075 573871015 /nfs/dbraw/zinc/87/10/15/573871015.db2.gz FWAKNJHDZHERJE-DHZHZOJOSA-N 1 0 190.290 2.485 10 0 AEAERO CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)C 43816109 573871051 /nfs/dbraw/zinc/87/10/51/573871051.db2.gz RPPNXMQKZJHFGQ-MNOVXSKESA-N 1 0 186.343 2.105 10 0 AEAERO C[C@@H]([NH2+]CCC1=CCOCC1)C1CC1 131442724 573871059 /nfs/dbraw/zinc/87/10/59/573871059.db2.gz XMOILUQPWUMKGW-SNVBAGLBSA-N 1 0 195.306 2.111 10 0 AEAERO CCC1CCN([C@@H](C)[C@@H](C)[NH2+]C)CC1 43913341 573871071 /nfs/dbraw/zinc/87/10/71/573871071.db2.gz NNDUCKNEQWPRBX-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@](C)([C@H](C)O)[N@H+](C)C[C@@H]1C[C@H]1C 393669657 573871089 /nfs/dbraw/zinc/87/10/89/573871089.db2.gz RQEGPYLYMBJLFK-NOOOWODRSA-N 1 0 199.338 2.124 10 0 AEAERO C[NH2+][C@H](C)CN(C)[C@@H]1CCC[C@@H](C)C1 43968363 573871100 /nfs/dbraw/zinc/87/11/00/573871100.db2.gz YSNHGWMBCUJHHH-IJLUTSLNSA-N 1 0 198.354 2.105 10 0 AEAERO C[NH2+]CCc1c(O)ccc(C)c1Cl 215000975 573871102 /nfs/dbraw/zinc/87/11/02/573871102.db2.gz GCYAFBIGTINKGR-UHFFFAOYSA-N 1 0 199.681 2.116 10 0 AEAERO Cc1ccc([C@H]2CC[NH2+]C[C@H]2F)cc1 238541321 573871112 /nfs/dbraw/zinc/87/11/12/573871112.db2.gz GGXCWEUBISZOFW-VXGBXAGGSA-N 1 0 193.265 2.410 10 0 AEAERO CC(C)(C[NH3+])[C@H]1CCCCS1 259575893 573871160 /nfs/dbraw/zinc/87/11/60/573871160.db2.gz YHNQWPHKMRUMTH-MRVPVSSYSA-N 1 0 173.325 2.257 10 0 AEAERO CC(C)c1cccc2c1[C@@H]([NH3+])CC2=O 238165005 573871251 /nfs/dbraw/zinc/87/12/51/573871251.db2.gz XHMSGGKAEGGTOL-JTQLQIEISA-N 1 0 189.258 2.396 10 0 AEAERO CCCN(C1CC1)[C@H](C)[C@@H](C)[NH2+]CC 43885667 573871277 /nfs/dbraw/zinc/87/12/77/573871277.db2.gz OKTUKEABPSRSHH-GHMZBOCLSA-N 1 0 198.354 2.247 10 0 AEAERO Cc1cscc1C(=[NH2+])NC1CC1 87289129 573871316 /nfs/dbraw/zinc/87/13/16/573871316.db2.gz LWXMDPQGUAZVMF-UHFFFAOYSA-N 1 0 180.276 2.134 10 0 AEAERO CCCCN(CC)[C@H]1CCC[C@@H]1[NH2+]C 43817415 573871374 /nfs/dbraw/zinc/87/13/74/573871374.db2.gz ILAISOLOPNHXHO-RYUDHWBXSA-N 1 0 198.354 2.249 10 0 AEAERO CCC[C@@H](C)Nc1[nH]cc(C)[nH+]1 233280883 573871385 /nfs/dbraw/zinc/87/13/85/573871385.db2.gz PIMLTQVJHXDZPS-SSDOTTSWSA-N 1 0 167.256 2.319 10 0 AEAERO CC(C)(C)CCCC(=O)[C@@H]1C[C@@H]1C[NH3+] 715190630 573871403 /nfs/dbraw/zinc/87/14/03/573871403.db2.gz OJPZEOYGBKFAOH-NXEZZACHSA-N 1 0 197.322 2.367 10 0 AEAERO CC1(C)[NH2+][C@@H](c2cccc(F)c2)CO1 238172638 573871408 /nfs/dbraw/zinc/87/14/08/573871408.db2.gz JKBDMEDDDBIVHL-SNVBAGLBSA-N 1 0 195.237 2.223 10 0 AEAERO Cc1ccc([C@@]2([NH3+])CCSC2)cc1 84354972 573871517 /nfs/dbraw/zinc/87/15/17/573871517.db2.gz IBPNVYWQDBDXHK-LLVKDONJSA-N 1 0 193.315 2.286 10 0 AEAERO CC1(C)[NH2+][C@@H](c2ccc(F)cc2)CO1 238172614 573871523 /nfs/dbraw/zinc/87/15/23/573871523.db2.gz YUYLVRZGYURUOG-SNVBAGLBSA-N 1 0 195.237 2.223 10 0 AEAERO CCC(CC)O[C@H]1CCCC[C@H]1[NH3+] 131518962 573871530 /nfs/dbraw/zinc/87/15/30/573871530.db2.gz LHYWQFPJYZWGEB-MNOVXSKESA-N 1 0 185.311 2.462 10 0 AEAERO CCC[N@H+](CC[C@H](C)[NH2+]C)C(C)C 43885054 573871535 /nfs/dbraw/zinc/87/15/35/573871535.db2.gz IVFRILKPTBIBLL-NSHDSACASA-N 1 0 186.343 2.105 10 0 AEAERO CC[C@H]1CCCC[N@@H+]1CC[C@@H](C)[NH2+]C 43883363 573871606 /nfs/dbraw/zinc/87/16/06/573871606.db2.gz CPRMXQYVYOQXNY-NEPJUHHUSA-N 1 0 198.354 2.249 10 0 AEAERO Cc1cscc1[C@H]([NH3+])C1CC1 87288357 573871628 /nfs/dbraw/zinc/87/16/28/573871628.db2.gz HMEJIDZNHVETSG-SECBINFHSA-N 1 0 167.277 2.466 10 0 AEAERO CCC(CC)N(C)[C@@H]1CCC[C@@H]1[NH2+]C 43895807 573871699 /nfs/dbraw/zinc/87/16/99/573871699.db2.gz QHSDLEKTPJXHII-NWDGAFQWSA-N 1 0 198.354 2.247 10 0 AEAERO Cc1ccc(Cl)c(C[C@@H](C)[NH3+])c1O 258168773 573871703 /nfs/dbraw/zinc/87/17/03/573871703.db2.gz PZPHOWIBYDDLSO-SSDOTTSWSA-N 1 0 199.681 2.244 10 0 AEAERO Cn1ccc2c(C(C)(C)[NH3+])cccc21 238550697 573871710 /nfs/dbraw/zinc/87/17/10/573871710.db2.gz GRENIGNQLCETJT-UHFFFAOYSA-N 1 0 188.274 2.372 10 0 AEAERO C[NH2+][C@H](C)c1cccc2c1ccn2C 258169372 573871712 /nfs/dbraw/zinc/87/17/12/573871712.db2.gz OAVAWDUERJDAQC-SECBINFHSA-N 1 0 188.274 2.459 10 0 AEAERO Cc1cc(F)c2c(c1)CC[C@H]2[NH3+] 238540918 573871746 /nfs/dbraw/zinc/87/17/46/573871746.db2.gz BJZNRVFXBJQMMW-SECBINFHSA-N 1 0 165.211 2.080 10 0 AEAERO CC[C@@H]1CCC[N@H+](CC[C@@H](C)[NH2+]C)C1 43896719 573871757 /nfs/dbraw/zinc/87/17/57/573871757.db2.gz RKUOZRNEVLJGON-VXGBXAGGSA-N 1 0 198.354 2.106 10 0 AEAERO CCC(CC)N(C)[C@H]1CCC[C@@H]1[NH2+]C 43895809 573871803 /nfs/dbraw/zinc/87/18/03/573871803.db2.gz QHSDLEKTPJXHII-RYUDHWBXSA-N 1 0 198.354 2.247 10 0 AEAERO Cc1ccsc1NCC[NH2+]C1CC1 258978467 573871807 /nfs/dbraw/zinc/87/18/07/573871807.db2.gz USJABGLIIHLAIJ-UHFFFAOYSA-N 1 0 196.319 2.220 10 0 AEAERO C[NH2+]CCc1c(C)ccc(Cl)c1O 215001113 573871809 /nfs/dbraw/zinc/87/18/09/573871809.db2.gz PJGQKXQWFUODQL-UHFFFAOYSA-N 1 0 199.681 2.116 10 0 AEAERO CCCC[C@@H](C)[N@@H+]1CC[C@H](OC)C1 308458597 573871848 /nfs/dbraw/zinc/87/18/48/573871848.db2.gz GUSRMZIOWASICR-MNOVXSKESA-N 1 0 185.311 2.286 10 0 AEAERO C[NH2+][C@@H](C)c1cccc2c1ccn2C 258169377 573872247 /nfs/dbraw/zinc/87/22/47/573872247.db2.gz OAVAWDUERJDAQC-VIFPVBQESA-N 1 0 188.274 2.459 10 0 AEAERO CC[C@](C)([C@H](C)O)[N@H+](C)C[C@H]1C[C@@H]1C 393669656 573872254 /nfs/dbraw/zinc/87/22/54/573872254.db2.gz RQEGPYLYMBJLFK-NNYUYHANSA-N 1 0 199.338 2.124 10 0 AEAERO CCC[NH2+]CC/C=C\C1CC1 211629746 573872280 /nfs/dbraw/zinc/87/22/80/573872280.db2.gz IPHVZUZVAJHONE-HYXAFXHYSA-N 1 0 153.269 2.342 10 0 AEAERO C[NH2+][C@H](C)c1ccc2ccn(C)c2c1 258169516 573872303 /nfs/dbraw/zinc/87/23/03/573872303.db2.gz OBZWVMLQCFDXFT-SECBINFHSA-N 1 0 188.274 2.459 10 0 AEAERO CC(C)(F)Oc1cccc2c1C[NH2+]C2 258168870 573872353 /nfs/dbraw/zinc/87/23/53/573872353.db2.gz XHLJBAMQOCNDQC-UHFFFAOYSA-N 1 0 195.237 2.374 10 0 AEAERO COC1CCC([C@]2(C[NH3+])C[C@H]2C)CC1 686347175 573872370 /nfs/dbraw/zinc/87/23/70/573872370.db2.gz PBXGRJKPZYWHSX-YYJSSNLHSA-N 1 0 197.322 2.177 10 0 AEAERO Cc1ccc(C2([NH3+])CSC2)c(C)c1 84354989 573872399 /nfs/dbraw/zinc/87/23/99/573872399.db2.gz UDPDMFLFAPVQBA-UHFFFAOYSA-N 1 0 193.315 2.204 10 0 AEAERO CC[C@H](C)CO[C@@H]1CCCC[C@@H]1[NH3+] 131439797 573872402 /nfs/dbraw/zinc/87/24/02/573872402.db2.gz XAPFGLZTQHSMDH-GARJFASQSA-N 1 0 185.311 2.319 10 0 AEAERO CCCN(C1CC1)[C@H]1CCC[C@@H]1[NH2+]C 43885356 573872415 /nfs/dbraw/zinc/87/24/15/573872415.db2.gz PPVFZIVCULSDFA-RYUDHWBXSA-N 1 0 196.338 2.001 10 0 AEAERO CC[C@@H](C)N(CC)[C@@H]1CCC[C@@H]1[NH2+]C 43888475 573872479 /nfs/dbraw/zinc/87/24/79/573872479.db2.gz HNGUKYSGESALPV-GRYCIOLGSA-N 1 0 198.354 2.247 10 0 AEAERO CCSc1ccc(N(C)C[NH3+])cc1 258978651 573872545 /nfs/dbraw/zinc/87/25/45/573872545.db2.gz XUOYHSVDHLGHNG-UHFFFAOYSA-N 1 0 196.319 2.151 10 0 AEAERO CC(C)[C@H](C)[NH2+]CCC1=CCOCC1 131448203 573872570 /nfs/dbraw/zinc/87/25/70/573872570.db2.gz YXBZCPLYOMMBAO-NSHDSACASA-N 1 0 197.322 2.357 10 0 AEAERO CC(C)C(F)(F)[C@@H]1CC[N@H+](C)C1 258979830 573872653 /nfs/dbraw/zinc/87/26/53/573872653.db2.gz JIWYHZMULDCHDR-MRVPVSSYSA-N 1 0 177.238 2.229 10 0 AEAERO C[NH2+][C@@H](C)c1c[nH]c2ccc(O)cc12 258169383 573872681 /nfs/dbraw/zinc/87/26/81/573872681.db2.gz MDKUREZOSXGGRG-ZETCQYMHSA-N 1 0 190.246 2.154 10 0 AEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C 43816183 573872690 /nfs/dbraw/zinc/87/26/90/573872690.db2.gz VWPAACJNHSDVOM-SRVKXCTJSA-N 1 0 198.354 2.105 10 0 AEAERO C[NH2+][C@H](C)C[C@H](C)c1ccco1 84399205 573872691 /nfs/dbraw/zinc/87/26/91/573872691.db2.gz WQKQNNXKNNJRHE-DTWKUNHWSA-N 1 0 167.252 2.381 10 0 AEAERO Cc1cn([C@@H]2C=CC[NH2+]2)c(C)c1C 238550431 573872775 /nfs/dbraw/zinc/87/27/75/573872775.db2.gz AYLTXZFAHJFYAL-LLVKDONJSA-N 1 0 176.263 2.071 10 0 AEAERO C[NH2+][C@H](C)c1ccc2c(c1)N[C@@H](C)C2 258168741 573872787 /nfs/dbraw/zinc/87/27/87/573872787.db2.gz RZMVSGIVEGNYHP-DTWKUNHWSA-N 1 0 190.290 2.324 10 0 AEAERO CCCN(CCC)[C@@H]1CCC[C@H]1[NH2+]C 43814626 573872809 /nfs/dbraw/zinc/87/28/09/573872809.db2.gz BCAHWEBSKLFAMV-VXGBXAGGSA-N 1 0 198.354 2.249 10 0 AEAERO OCCCCC[NH2+]CCCCC1CC1 716311662 573872833 /nfs/dbraw/zinc/87/28/33/573872833.db2.gz AKNJQCXVQMYKJC-UHFFFAOYSA-N 1 0 199.338 2.319 10 0 AEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C 43816190 573872871 /nfs/dbraw/zinc/87/28/71/573872871.db2.gz QVVOPIJKNAHXAO-NEPJUHHUSA-N 1 0 198.354 2.249 10 0 AEAERO CCCCCN(C)[C@@H]1CCC[C@@H]1[NH2+]C 43889089 573872880 /nfs/dbraw/zinc/87/28/80/573872880.db2.gz KCIITMZNFKRODR-NWDGAFQWSA-N 1 0 198.354 2.249 10 0 AEAERO CCCN(CCC)C[C@H](C)[NH2+]CC 43814792 573872898 /nfs/dbraw/zinc/87/28/98/573872898.db2.gz DTGLDEBYZMTCSM-NSHDSACASA-N 1 0 186.343 2.106 10 0 AEAERO CCC[NH2+][C@H]1CCCCC[C@@H]1N(C)C 43816191 573872909 /nfs/dbraw/zinc/87/29/09/573872909.db2.gz QVVOPIJKNAHXAO-RYUDHWBXSA-N 1 0 198.354 2.249 10 0 AEAERO CC(C)[NH2+]CC(C)(Cl)Cl 238164673 573872914 /nfs/dbraw/zinc/87/29/14/573872914.db2.gz WUEBTACWIDLISU-UHFFFAOYSA-N 1 0 170.083 2.178 10 0 AEAERO CCCN(CCC)[C@H]1CCC[C@H]1[NH2+]C 43814627 573872949 /nfs/dbraw/zinc/87/29/49/573872949.db2.gz BCAHWEBSKLFAMV-NEPJUHHUSA-N 1 0 198.354 2.249 10 0 AEAERO Cn1ccc([C@@H]([NH3+])C(C)(C)C)c1 238550165 573872961 /nfs/dbraw/zinc/87/29/61/573872961.db2.gz BLCOXDYBNSWKAT-SECBINFHSA-N 1 0 166.268 2.071 10 0 AEAERO CCCN(C(C)C)[C@@H]1CCC[C@@H]1[NH2+]C 43884908 573872965 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2.212 10 0 AEAERO C[C@@H](C[NH3+])[C@@](C)(F)c1ccccc1O 257895012 573895963 /nfs/dbraw/zinc/89/59/63/573895963.db2.gz XWVOOMAHTKGJQG-GZMMTYOYSA-N 1 0 197.253 2.172 10 0 AEAERO C[C@H]1C[C@@]1(C[NH3+])c1cccc(F)c1 76603357 573896120 /nfs/dbraw/zinc/89/61/20/573896120.db2.gz CIPUQFCFUAAKAF-KWQFWETISA-N 1 0 179.238 2.062 10 0 AEAERO Cc1cc(F)cc(C(C)(C)C[NH3+])c1 84446923 573896199 /nfs/dbraw/zinc/89/61/99/573896199.db2.gz GNHDITSIFIBFAS-UHFFFAOYSA-N 1 0 181.254 2.370 10 0 AEAERO CC(C)(O)C1([NH3+])C[C@@H]2CCCC[C@H]2C1 238174384 573896207 /nfs/dbraw/zinc/89/62/07/573896207.db2.gz AREXVUMCHPRKIM-UWVGGRQHSA-N 1 0 197.322 2.055 10 0 AEAERO C[C@@H](CC[NH3+])c1nc(C2CCC2)c[nH]1 258989213 573896212 /nfs/dbraw/zinc/89/62/12/573896212.db2.gz AVAACGMPAZWCRV-QMMMGPOBSA-N 1 0 193.294 2.130 10 0 AEAERO CC(C)(O)C1([NH3+])C[C@H]2CCCC[C@@H]2C1 238174408 573896220 /nfs/dbraw/zinc/89/62/20/573896220.db2.gz AREXVUMCHPRKIM-NXEZZACHSA-N 1 0 197.322 2.055 10 0 AEAERO C[NH2+][C@@H](C)c1cccc2c1C[C@@H](C)N2 257901999 573896251 /nfs/dbraw/zinc/89/62/51/573896251.db2.gz AQGNEFZJSCOCNP-BDAKNGLRSA-N 1 0 190.290 2.324 10 0 AEAERO C[NH2+][C@H](C)c1cccc2c1NC[C@@H]2C 257901887 573896260 /nfs/dbraw/zinc/89/62/60/573896260.db2.gz AOYQNOKBMRBWDT-DTWKUNHWSA-N 1 0 190.290 2.496 10 0 AEAERO C[NH2+]C1CCC(C(=O)C(C)(C)C)CC1 259224295 573896292 /nfs/dbraw/zinc/89/62/92/573896292.db2.gz QGNODPURUVJWLT-UHFFFAOYSA-N 1 0 197.322 2.380 10 0 AEAERO CC[N@H+](C)Cc1cccc(NC)c1 258990869 573896384 /nfs/dbraw/zinc/89/63/84/573896384.db2.gz LRABFUDJANNZDM-UHFFFAOYSA-N 1 0 178.279 2.180 10 0 AEAERO [NH3+]C1([C@@H]2CCCS2)CCCC1 257902473 573896501 /nfs/dbraw/zinc/89/65/01/573896501.db2.gz DRPITIXTGLAORK-QMMMGPOBSA-N 1 0 171.309 2.154 10 0 AEAERO CCC[C@@H]([NH3+])COCCC(F)(F)F 131597716 573896507 /nfs/dbraw/zinc/89/65/07/573896507.db2.gz WXIJYBXODJVJCO-SSDOTTSWSA-N 1 0 199.216 2.083 10 0 AEAERO CC[C@H](C[NH2+]C)c1nc(C(C)C)c[nH]1 258991417 573896549 /nfs/dbraw/zinc/89/65/49/573896549.db2.gz BCBFQUUUVIKUEL-SECBINFHSA-N 1 0 195.310 2.246 10 0 AEAERO CC[C@@H]([NH3+])[C@H](C)c1c(C)ccn1C 76604650 573896550 /nfs/dbraw/zinc/89/65/50/573896550.db2.gz XVLYINOCPDMVMQ-VHSXEESVSA-N 1 0 180.295 2.174 10 0 AEAERO Cc1ccsc1NCC[C@H](C)C[NH3+] 258989174 573896581 /nfs/dbraw/zinc/89/65/81/573896581.db2.gz VQQPRSGORQXHKB-QMMMGPOBSA-N 1 0 198.335 2.453 10 0 AEAERO C[NH2+]C[C@@H]1C=Cc2ccccc21 102292352 573896624 /nfs/dbraw/zinc/89/66/24/573896624.db2.gz PCERJHHSYAHNLO-JTQLQIEISA-N 1 0 159.232 2.016 10 0 AEAERO CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC1(C)C 393653574 573896629 /nfs/dbraw/zinc/89/66/29/573896629.db2.gz BTIAMIZZEMKZHE-HBNTYKKESA-N 1 0 199.338 2.172 10 0 AEAERO C[NH2+][C@H](C)c1cccc2c1C[C@@H](C)N2 257902008 573896637 /nfs/dbraw/zinc/89/66/37/573896637.db2.gz AQGNEFZJSCOCNP-RKDXNWHRSA-N 1 0 190.290 2.324 10 0 AEAERO C[NH2+][C@@H](C)c1cccc2c1C[C@H](C)N2 257902005 573896658 /nfs/dbraw/zinc/89/66/58/573896658.db2.gz AQGNEFZJSCOCNP-IUCAKERBSA-N 1 0 190.290 2.324 10 0 AEAERO CC(C)(C)[C@H]([NH3+])c1ccc(N)c(F)c1 238174425 573897764 /nfs/dbraw/zinc/89/77/64/573897764.db2.gz QLGNBJCDFBFGGT-SNVBAGLBSA-N 1 0 196.269 2.454 10 0 AEAERO C[C@H]1CCSC[C@H](C2(C)CC2)[NH2+]1 87367916 573897767 /nfs/dbraw/zinc/89/77/67/573897767.db2.gz DJBLQFSLNKPJDH-DTWKUNHWSA-N 1 0 185.336 2.270 10 0 AEAERO C[C@@H]1C[NH2+][C@@H](C2(C)CC2)CSC1 87367943 573897776 /nfs/dbraw/zinc/89/77/76/573897776.db2.gz PLADKIFJCNRCHU-RKDXNWHRSA-N 1 0 185.336 2.128 10 0 AEAERO Cc1ccc([C@@H]2[NH2+]C[C@H](C)CO2)s1 258443278 573897815 /nfs/dbraw/zinc/89/78/15/573897815.db2.gz JUSAGFQEVGOMLC-OIBJUYFYSA-N 1 0 197.303 2.311 10 0 AEAERO Cc1cccc([C@@]2(C[NH3+])C[C@@H]2C)c1 76600939 573897865 /nfs/dbraw/zinc/89/78/65/573897865.db2.gz FTDWOAZUNIYQFP-CMPLNLGQSA-N 1 0 175.275 2.231 10 0 AEAERO [NH3+]C1([C@H]2CCCS2)CCCC1 257902471 573897868 /nfs/dbraw/zinc/89/78/68/573897868.db2.gz DRPITIXTGLAORK-MRVPVSSYSA-N 1 0 171.309 2.154 10 0 AEAERO Cc1ccc([C@@H]2[C@H](C[NH3+])C2(C)C)o1 76603383 573897937 /nfs/dbraw/zinc/89/79/37/573897937.db2.gz IWAQXSPNOAGAOO-WPRPVWTQSA-N 1 0 179.263 2.286 10 0 AEAERO CC[C@H](F)C[C@@H]1CCC[NH2+]C1 258443419 573897944 /nfs/dbraw/zinc/89/79/44/573897944.db2.gz FGEUWELOLVWCMF-IUCAKERBSA-N 1 0 159.248 2.124 10 0 AEAERO CC[C@@H](F)C[C@@H]1CCC[NH2+]C1 258443413 573897954 /nfs/dbraw/zinc/89/79/54/573897954.db2.gz FGEUWELOLVWCMF-DTWKUNHWSA-N 1 0 159.248 2.124 10 0 AEAERO C[C@@H]([NH3+])c1cccc2c1N(C)C[C@@H]2C 257902091 573897980 /nfs/dbraw/zinc/89/79/80/573897980.db2.gz ARDGPMFPUXQEDY-DTWKUNHWSA-N 1 0 190.290 2.260 10 0 AEAERO C[C@@H]1CC[NH2+][C@H](C2(C)CC2)CS1 87367963 573897986 /nfs/dbraw/zinc/89/79/86/573897986.db2.gz YVWJAXUFAKCJOR-BDAKNGLRSA-N 1 0 185.336 2.270 10 0 AEAERO CCC[N@@H+]1Cc2ccc(NC)cc2C1 259224233 573898027 /nfs/dbraw/zinc/89/80/27/573898027.db2.gz GZBGOUSJNRYWPJ-UHFFFAOYSA-N 1 0 190.290 2.454 10 0 AEAERO C[C@H]([NH3+])c1cccc2c1N(C)C[C@@H]2C 257902094 573898090 /nfs/dbraw/zinc/89/80/90/573898090.db2.gz ARDGPMFPUXQEDY-IUCAKERBSA-N 1 0 190.290 2.260 10 0 AEAERO C[NH2+]C[C@@H](c1cccnc1)C1CCC1 259228177 573898096 /nfs/dbraw/zinc/89/80/96/573898096.db2.gz ORNDNSGANXRFRO-GFCCVEGCSA-N 1 0 190.290 2.185 10 0 AEAERO CC[C@H]1CCC[C@@H](OC2CC([NH3+])C2)C1 84451125 573898120 /nfs/dbraw/zinc/89/81/20/573898120.db2.gz STOLHTKKNZCZGE-UZEXVOJHSA-N 1 0 197.322 2.462 10 0 AEAERO CC[C@@H]1CC[C@]2(C[C@@H]2C[NH2+]C)C1 80473019 573898123 /nfs/dbraw/zinc/89/81/23/573898123.db2.gz KXRRNXAEVHZDGI-GMTAPVOTSA-N 1 0 167.296 2.422 10 0 AEAERO C[C@@H]1CCC[C@H](OC2CC(C[NH3+])C2)C1 84450392 573898161 /nfs/dbraw/zinc/89/81/61/573898161.db2.gz SRTLBNWWIAZJQE-ZYGVAYEYSA-N 1 0 197.322 2.319 10 0 AEAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)C1CCCCCC1 715191977 573898181 /nfs/dbraw/zinc/89/81/81/573898181.db2.gz YBICONIFLAWOEM-QWRGUYRKSA-N 1 0 195.306 2.121 10 0 AEAERO C[C@@H]1CCSC[C@@H](C2(C)CC2)[NH2+]1 87367921 573898184 /nfs/dbraw/zinc/89/81/84/573898184.db2.gz DJBLQFSLNKPJDH-BDAKNGLRSA-N 1 0 185.336 2.270 10 0 AEAERO Cc1cc(Cl)cc([C@@H](C)C[NH3+])c1O 258174640 573898208 /nfs/dbraw/zinc/89/82/08/573898208.db2.gz QMNPWULFXPKLLO-ZETCQYMHSA-N 1 0 199.681 2.416 10 0 AEAERO Cc1cccc([C@]2(C[NH3+])C[C@@H]2C)c1 76600936 573898218 /nfs/dbraw/zinc/89/82/18/573898218.db2.gz FTDWOAZUNIYQFP-JQWIXIFHSA-N 1 0 175.275 2.231 10 0 AEAERO C[NH2+][C@@H](C)c1cccc2c1NC[C@H]2C 257901885 573898246 /nfs/dbraw/zinc/89/82/46/573898246.db2.gz AOYQNOKBMRBWDT-BDAKNGLRSA-N 1 0 190.290 2.496 10 0 AEAERO C[C@@H]1CN(C)c2c1cccc2[C@@H](C)[NH3+] 257902097 573898282 /nfs/dbraw/zinc/89/82/82/573898282.db2.gz ARDGPMFPUXQEDY-RKDXNWHRSA-N 1 0 190.290 2.260 10 0 AEAERO CC1(C)C=Cc2c[nH+]ccc2N1 238174955 573898284 /nfs/dbraw/zinc/89/82/84/573898284.db2.gz QRPRWLFZGHTVNZ-UHFFFAOYSA-N 1 0 160.220 2.299 10 0 AEAERO C[NH2+][C@H](C)c1cccc2c1C[C@H](C)N2 257902002 573898293 /nfs/dbraw/zinc/89/82/93/573898293.db2.gz AQGNEFZJSCOCNP-DTWKUNHWSA-N 1 0 190.290 2.324 10 0 AEAERO Cc1ccc([C@H]2[NH2+]C[C@H](C)CO2)s1 258443297 573898305 /nfs/dbraw/zinc/89/83/05/573898305.db2.gz JUSAGFQEVGOMLC-XVKPBYJWSA-N 1 0 197.303 2.311 10 0 AEAERO C[C@H]([C@@H]1CC[NH2+]C1)C1(C)CC1 87368045 573898344 /nfs/dbraw/zinc/89/83/44/573898344.db2.gz IJBJAZUSCVEWPJ-RKDXNWHRSA-N 1 0 153.269 2.032 10 0 AEAERO CC1([C@](C)(O)[C@H]2CCCCC[NH2+]2)CC1 87366175 573898349 /nfs/dbraw/zinc/89/83/49/573898349.db2.gz CMOLXDKINISNMR-ZYHUDNBSSA-N 1 0 197.322 2.070 10 0 AEAERO CC[C@H](C)Nc1cc(C)[nH+]c(NC)n1 84455028 573898376 /nfs/dbraw/zinc/89/83/76/573898376.db2.gz OSBKOQQENACXQM-ZETCQYMHSA-N 1 0 194.282 2.037 10 0 AEAERO C[C@@H]1C[C@@]1(C[NH3+])c1cccc(F)c1 76603352 573898428 /nfs/dbraw/zinc/89/84/28/573898428.db2.gz CIPUQFCFUAAKAF-KCJUWKMLSA-N 1 0 179.238 2.062 10 0 AEAERO CCCC[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 308460857 573898446 /nfs/dbraw/zinc/89/84/46/573898446.db2.gz HLFQCMFMAJRLEK-GHMZBOCLSA-N 1 0 185.311 2.022 10 0 AEAERO C[C@H]([C@H]1CC[NH2+]C1)C1(C)CC1 87368049 573898448 /nfs/dbraw/zinc/89/84/48/573898448.db2.gz IJBJAZUSCVEWPJ-BDAKNGLRSA-N 1 0 153.269 2.032 10 0 AEAERO Cc1ccc([C@@H]2[NH2+]C[C@@H](C)CO2)s1 258443270 573898479 /nfs/dbraw/zinc/89/84/79/573898479.db2.gz JUSAGFQEVGOMLC-GMSGAONNSA-N 1 0 197.303 2.311 10 0 AEAERO C[C@@H]([C@@H]1CC[NH2+]C1)C1(C)CC1 87368043 573898488 /nfs/dbraw/zinc/89/84/88/573898488.db2.gz IJBJAZUSCVEWPJ-DTWKUNHWSA-N 1 0 153.269 2.032 10 0 AEAERO Fc1ccc(C23CC[NH2+]C(C2)C3)cc1 257901767 573898560 /nfs/dbraw/zinc/89/85/60/573898560.db2.gz HOYUWFOYVXGRIW-UHFFFAOYSA-N 1 0 191.249 2.219 10 0 AEAERO CC(C)(O)/C=C/C[NH2+]C1CCCCC1 215611639 573898598 /nfs/dbraw/zinc/89/85/98/573898598.db2.gz KMHQSMCMGBMJHZ-RMKNXTFCSA-N 1 0 197.322 2.236 10 0 AEAERO CC[C@@H]1CCC[C@H](OC2CC([NH3+])C2)C1 84451120 573900194 /nfs/dbraw/zinc/90/01/94/573900194.db2.gz STOLHTKKNZCZGE-ZYGVAYEYSA-N 1 0 197.322 2.462 10 0 AEAERO CCCCNc1cc(C)[nH+]c(NC)n1 84455025 573900199 /nfs/dbraw/zinc/90/01/99/573900199.db2.gz DPRIHXHBSZAHDL-UHFFFAOYSA-N 1 0 194.282 2.039 10 0 AEAERO CC1(C)CSC[C@H](C2(C)CC2)[NH2+]1 87368017 573900992 /nfs/dbraw/zinc/90/09/92/573900992.db2.gz FHRPEEHRIRMUSO-MRVPVSSYSA-N 1 0 185.336 2.270 10 0 AEAERO C[NH2+]CCCc1cnc(CC(C)C)o1 257903201 573900993 /nfs/dbraw/zinc/90/09/93/573900993.db2.gz BXLWSDDEULVCFP-UHFFFAOYSA-N 1 0 196.294 2.025 10 0 AEAERO C[C@H]1CCC[C@@H](OC2CC(C[NH3+])C2)C1 84450399 573900248 /nfs/dbraw/zinc/90/02/48/573900248.db2.gz SRTLBNWWIAZJQE-UZEXVOJHSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@H]1CSC[C@H](C2(C)CC2)[NH2+]1 87367988 573900253 /nfs/dbraw/zinc/90/02/53/573900253.db2.gz RLYORAPTPZIXCL-DTWKUNHWSA-N 1 0 185.336 2.270 10 0 AEAERO CC[C@H]1CCCC[C@H]1OC1CC([NH3+])C1 84450558 573900257 /nfs/dbraw/zinc/90/02/57/573900257.db2.gz VTOGOWSSCOAJOD-WNYYMSAVSA-N 1 0 197.322 2.462 10 0 AEAERO CCSCCCC1([NH3+])CCC1 131634151 573900285 /nfs/dbraw/zinc/90/02/85/573900285.db2.gz BUOATODKDHNWEO-UHFFFAOYSA-N 1 0 173.325 2.401 10 0 AEAERO C[C@H]1C[NH2+][C@H](C2(C)CC2)CSC1 87367942 573900298 /nfs/dbraw/zinc/90/02/98/573900298.db2.gz PLADKIFJCNRCHU-IUCAKERBSA-N 1 0 185.336 2.128 10 0 AEAERO C[C@H]1CCSC[C@@H](C2(C)CC2)[NH2+]1 87367923 573900314 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Cc1c(N)cccc1[C@H]([NH3+])CC1CC1 104494703 574011885 /nfs/dbraw/zinc/01/18/85/574011885.db2.gz PXIUJJILPCYCQS-GFCCVEGCSA-N 1 0 190.290 2.377 10 0 AEAERO CCC[NH2+][C@H](CC)C(F)F 87687440 574011918 /nfs/dbraw/zinc/01/19/18/574011918.db2.gz NDIKMNVGZCBCKX-ZCFIWIBFSA-N 1 0 151.200 2.030 10 0 AEAERO CC[NH2+][C@H](C(F)F)C1CCC1 87687591 574011963 /nfs/dbraw/zinc/01/19/63/574011963.db2.gz XXOAPYPNYJWJCW-ZETCQYMHSA-N 1 0 163.211 2.030 10 0 AEAERO COc1c(Cl)cccc1[C@H]1CC[NH2+]1 104495059 574012002 /nfs/dbraw/zinc/01/20/02/574012002.db2.gz KIPDTLHAFDEOCG-SECBINFHSA-N 1 0 197.665 2.383 10 0 AEAERO CCC[NH2+][C@@H](CC)C(F)F 87687439 574012048 /nfs/dbraw/zinc/01/20/48/574012048.db2.gz NDIKMNVGZCBCKX-LURJTMIESA-N 1 0 151.200 2.030 10 0 AEAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])C(F)F)C1 87687507 574012090 /nfs/dbraw/zinc/01/20/90/574012090.db2.gz XIONJGKZOGKFBA-PRJMDXOYSA-N 1 0 177.238 2.405 10 0 AEAERO C[C@H]1CCC[C@H](n2cncc2C[NH3+])C1 85196832 574012142 /nfs/dbraw/zinc/01/21/42/574012142.db2.gz 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/nfs/dbraw/zinc/01/23/24/574012324.db2.gz REMKYSSBLVMHED-UHFFFAOYSA-N 1 0 179.697 2.410 10 0 AEAERO [NH3+][C@H]1CCc2cc(OC(F)F)ccc21 104498841 574012349 /nfs/dbraw/zinc/01/23/49/574012349.db2.gz BGPHXBAOMHGLBZ-VIFPVBQESA-N 1 0 199.200 2.234 10 0 AEAERO CCC[C@@H]([NH3+])c1ncc(Cl)cc1N 104496717 574012857 /nfs/dbraw/zinc/01/28/57/574012857.db2.gz KRKYKJCMALMVFN-SSDOTTSWSA-N 1 0 199.685 2.117 10 0 AEAERO CC(C)[N@H+](CC1CC1)[C@@H]1CCCC1=O 42588066 574012923 /nfs/dbraw/zinc/01/29/23/574012923.db2.gz PBPJHUQFEAPZQL-LLVKDONJSA-N 1 0 195.306 2.228 10 0 AEAERO [NH3+]Cc1cncn1C1CCCCCC1 85196741 574012935 /nfs/dbraw/zinc/01/29/35/574012935.db2.gz LUPAVGWDOGNHEC-UHFFFAOYSA-N 1 0 193.294 2.237 10 0 AEAERO Cc1c(N)cccc1[C@@H]([NH3+])CC1CC1 104498422 574012936 /nfs/dbraw/zinc/01/29/36/574012936.db2.gz PXIUJJILPCYCQS-LBPRGKRZSA-N 1 0 190.290 2.377 10 0 AEAERO Cc1cc(N)ccc1[C@@H]([NH3+])CC1CC1 104496054 574012941 /nfs/dbraw/zinc/01/29/41/574012941.db2.gz YOHQDBNGMZSBIW-LBPRGKRZSA-N 1 0 190.290 2.377 10 0 AEAERO COc1c(F)cc([C@@H]2CC[NH2+]2)cc1F 104497692 574012953 /nfs/dbraw/zinc/01/29/53/574012953.db2.gz NHDJSDCZFYJJIE-VIFPVBQESA-N 1 0 199.200 2.008 10 0 AEAERO COc1cc(F)cc(F)c1[C@H]1CC[NH2+]1 104498863 574012955 /nfs/dbraw/zinc/01/29/55/574012955.db2.gz XUXMXXJTESPYNV-MRVPVSSYSA-N 1 0 199.200 2.008 10 0 AEAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])C(F)F)C1 87687505 574012968 /nfs/dbraw/zinc/01/29/68/574012968.db2.gz XIONJGKZOGKFBA-CSMHCCOUSA-N 1 0 177.238 2.405 10 0 AEAERO CC[C@@H]1C[NH2+][C@H]2CCCC[C@H]12 111355977 574013008 /nfs/dbraw/zinc/01/30/08/574013008.db2.gz POQZASNPVNSKNG-BBBLOLIVSA-N 1 0 153.269 2.175 10 0 AEAERO CN(C)c1cccc([C@@H]([NH3+])C2CC2)c1 104497176 574013019 /nfs/dbraw/zinc/01/30/19/574013019.db2.gz AWKJSFZWWKRVGV-LBPRGKRZSA-N 1 0 190.290 2.162 10 0 AEAERO CCC(CC)C[C@H]([NH3+])c1cnccn1 128047660 574013034 /nfs/dbraw/zinc/01/30/34/574013034.db2.gz YAZPAGIYJBRERF-JTQLQIEISA-N 1 0 193.294 2.303 10 0 AEAERO COc1cc(Cl)cc([C@H]2CC[NH2+]2)c1 104497456 574013036 /nfs/dbraw/zinc/01/30/36/574013036.db2.gz HELYLXKREMYPKE-SNVBAGLBSA-N 1 0 197.665 2.383 10 0 AEAERO [NH2+]=C(NC[C@H]1CCCCS1)C1CC1 87686464 574013047 /nfs/dbraw/zinc/01/30/47/574013047.db2.gz NBYTURCICMESFP-SECBINFHSA-N 1 0 198.335 2.249 10 0 AEAERO CC[C@@H]([NH3+])c1ccc2cccnc2n1 104498066 574013051 /nfs/dbraw/zinc/01/30/51/574013051.db2.gz YVVXVUFGVYVVBM-SECBINFHSA-N 1 0 187.246 2.040 10 0 AEAERO CCC[C@@H]([NH3+])c1ccc2c(c1)CCN2 104496042 574013067 /nfs/dbraw/zinc/01/30/67/574013067.db2.gz TUDCEQWZVZOJEF-LLVKDONJSA-N 1 0 190.290 2.455 10 0 AEAERO CCCCC[C@@](O)(C[NH3+])C(C)(C)C 123396622 574013082 /nfs/dbraw/zinc/01/30/82/574013082.db2.gz DCKLIWXALADPIU-LLVKDONJSA-N 1 0 187.327 2.303 10 0 AEAERO CC(C)[C@H]([NH3+])c1cccc(Cl)n1 104496727 574013171 /nfs/dbraw/zinc/01/31/71/574013171.db2.gz PYQQEKGNSNGMAC-VIFPVBQESA-N 1 0 184.670 2.391 10 0 AEAERO C[C@H]1CCC[C@@H](n2cncc2C[NH3+])C1 85196838 574013246 /nfs/dbraw/zinc/01/32/46/574013246.db2.gz QMCUBNNKNJNXCB-VHSXEESVSA-N 1 0 193.294 2.093 10 0 AEAERO Cc1cc(C)c(N)c([C@H]([NH3+])C2CC2)c1 104498457 574013342 /nfs/dbraw/zinc/01/33/42/574013342.db2.gz YJDGKPHQCPVPEQ-GFCCVEGCSA-N 1 0 190.290 2.295 10 0 AEAERO CCC(CC)(C[NH3+])[C@@H](C)COC 128044033 574013343 /nfs/dbraw/zinc/01/33/43/574013343.db2.gz KIFNTCJWORZOFX-VIFPVBQESA-N 1 0 173.300 2.034 10 0 AEAERO CC(C)(CC[NH3+])C(=O)c1cccs1 259274009 574013352 /nfs/dbraw/zinc/01/33/52/574013352.db2.gz UJRXQRRDUUCEFL-UHFFFAOYSA-N 1 0 197.303 2.306 10 0 AEAERO Cc1c(Cl)cccc1[C@H]([NH3+])CCO 104495525 574013360 /nfs/dbraw/zinc/01/33/60/574013360.db2.gz VCNCGMYQJIXWES-SNVBAGLBSA-N 1 0 199.681 2.031 10 0 AEAERO C[NH2+][C@@]1(C(F)F)CCC[C@H](C)C1 87688515 574013423 /nfs/dbraw/zinc/01/34/23/574013423.db2.gz MAZQFWUFDKPOEC-CBAPKCEASA-N 1 0 177.238 2.420 10 0 AEAERO CCC[C@H]([NH3+])c1c(F)cncc1F 104495601 574013441 /nfs/dbraw/zinc/01/34/41/574013441.db2.gz LKYBVTQVMAVQBX-QMMMGPOBSA-N 1 0 186.205 2.160 10 0 AEAERO CC[C@H](C)[C@](C)([NH3+])C(F)F 87688199 574013472 /nfs/dbraw/zinc/01/34/72/574013472.db2.gz YWDMMBLGITXXJV-FSPLSTOPSA-N 1 0 151.200 2.015 10 0 AEAERO C[C@@H]1CCCC[C@@]1([NH3+])C(F)F 87688320 574013497 /nfs/dbraw/zinc/01/34/97/574013497.db2.gz SKTYUEANDYHTDQ-SVRRBLITSA-N 1 0 163.211 2.159 10 0 AEAERO [NH3+]C1(c2cc(F)c3[nH]ccc3c2)CC1 104499456 574013531 /nfs/dbraw/zinc/01/35/31/574013531.db2.gz LEGAYEAFUKYXEB-UHFFFAOYSA-N 1 0 190.221 2.255 10 0 AEAERO CC1CCC(n2cncc2C[NH3+])CC1 85196673 574013560 /nfs/dbraw/zinc/01/35/60/574013560.db2.gz WPAPYTTVTJIMFE-UHFFFAOYSA-N 1 0 193.294 2.093 10 0 AEAERO CC(C)[C@@H]([NH3+])c1cccc(Cl)n1 104496730 574014306 /nfs/dbraw/zinc/01/43/06/574014306.db2.gz PYQQEKGNSNGMAC-SECBINFHSA-N 1 0 184.670 2.391 10 0 AEAERO CCC[C@H](C)[C@@H]([NH3+])C(F)F 87688197 574014332 /nfs/dbraw/zinc/01/43/32/574014332.db2.gz YJEUTFLTLPRBCG-NTSWFWBYSA-N 1 0 151.200 2.015 10 0 AEAERO CC[C@@]([NH2+]C)(C(F)F)C1CC1 87688409 574014362 /nfs/dbraw/zinc/01/43/62/574014362.db2.gz KIEWFMCJUYTFAO-QMMMGPOBSA-N 1 0 163.211 2.030 10 0 AEAERO Cc1c(N)cccc1[C@H]1CCCC[NH2+]1 104498437 574014363 /nfs/dbraw/zinc/01/43/63/574014363.db2.gz XAIQYXIROZWODD-GFCCVEGCSA-N 1 0 190.290 2.392 10 0 AEAERO C[C@@H]1CC[C@@H](C)[C@]([NH3+])(C(F)F)C1 87688085 574014401 /nfs/dbraw/zinc/01/44/01/574014401.db2.gz AGKYPVQPEHLMGS-BHNWBGBOSA-N 1 0 177.238 2.405 10 0 AEAERO COc1cc(F)c(F)cc1[C@H]1CC[NH2+]1 104498879 574014402 /nfs/dbraw/zinc/01/44/02/574014402.db2.gz IYLDWPFXBBDJIP-SECBINFHSA-N 1 0 199.200 2.008 10 0 AEAERO Cc1cc(N)ccc1[C@H]1CCCC[NH2+]1 104497153 574014414 /nfs/dbraw/zinc/01/44/14/574014414.db2.gz RMDQEIWSELDQTF-GFCCVEGCSA-N 1 0 190.290 2.392 10 0 AEAERO C[NH2+][C@@]1(C(F)F)CCCC1(C)C 87688833 574014453 /nfs/dbraw/zinc/01/44/53/574014453.db2.gz ZXQUWSMQPKOIQA-SECBINFHSA-N 1 0 177.238 2.420 10 0 AEAERO CCCCC[C@H]([NH3+])C(F)F 87688252 574014465 /nfs/dbraw/zinc/01/44/65/574014465.db2.gz RNYGNRIAFTWJIR-LURJTMIESA-N 1 0 151.200 2.159 10 0 AEAERO C[C@H](c1ccccc1)[C@H]([NH3+])C(F)F 87687963 574014493 /nfs/dbraw/zinc/01/44/93/574014493.db2.gz FHEHTXDPLQPSNH-APPZFPTMSA-N 1 0 185.217 2.383 10 0 AEAERO C=Cc1ccc([C@@H](C)[NH2+]C)cn1 209789667 574014498 /nfs/dbraw/zinc/01/44/98/574014498.db2.gz ZYZDHVMAWYZRHA-MRVPVSSYSA-N 1 0 162.236 2.005 10 0 AEAERO COc1cc(F)c(F)cc1[C@@H]1CC[NH2+]1 104498874 574014519 /nfs/dbraw/zinc/01/45/19/574014519.db2.gz IYLDWPFXBBDJIP-VIFPVBQESA-N 1 0 199.200 2.008 10 0 AEAERO CC[C@H]([NH3+])c1ccc2cccnc2n1 104498061 574014538 /nfs/dbraw/zinc/01/45/38/574014538.db2.gz YVVXVUFGVYVVBM-VIFPVBQESA-N 1 0 187.246 2.040 10 0 AEAERO CC1(C)CCC[C@@]1([NH3+])C(F)F 87688379 574014544 /nfs/dbraw/zinc/01/45/44/574014544.db2.gz IRUSHJJIPAGYKD-MRVPVSSYSA-N 1 0 163.211 2.159 10 0 AEAERO C[C@@H](CC[NH3+])CC1CCC1 123376391 574014561 /nfs/dbraw/zinc/01/45/61/574014561.db2.gz PXFLMBOPFHQQEE-QMMMGPOBSA-N 1 0 141.258 2.162 10 0 AEAERO Cc1ccc(N(C)C)cc1[C@@H]1CC[NH2+]1 104497163 574014593 /nfs/dbraw/zinc/01/45/93/574014593.db2.gz AAOLKOPMPGDUDB-LBPRGKRZSA-N 1 0 190.290 2.095 10 0 AEAERO Cc1c(N)cccc1[C@@H]1CCCC[NH2+]1 104498432 574014608 /nfs/dbraw/zinc/01/46/08/574014608.db2.gz XAIQYXIROZWODD-LBPRGKRZSA-N 1 0 190.290 2.392 10 0 AEAERO CC[C@@H](C)[C@](C)([NH2+]C)C(F)F 87688658 574014611 /nfs/dbraw/zinc/01/46/11/574014611.db2.gz NGUHEVUIKSPRED-SVRRBLITSA-N 1 0 165.227 2.276 10 0 AEAERO Cn1ccc2c(C3([NH3+])CC3)cccc21 104495654 574014613 /nfs/dbraw/zinc/01/46/13/574014613.db2.gz FKJJXTHILKUISD-UHFFFAOYSA-N 1 0 186.258 2.126 10 0 AEAERO [NH3+][C@@H]1CCc2c(ccc(Cl)c2F)C1 104498952 574014618 /nfs/dbraw/zinc/01/46/18/574014618.db2.gz VAFCAVDXVZKVFM-SSDOTTSWSA-N 1 0 199.656 2.295 10 0 AEAERO CC[NH2+][C@]1(C(F)F)CC[C@H](C)C1 87688930 574014620 /nfs/dbraw/zinc/01/46/20/574014620.db2.gz XXLYAXGPEJTZBH-IONNQARKSA-N 1 0 177.238 2.420 10 0 AEAERO Cc1cc(C)c(N)c([C@@H]([NH3+])C2CC2)c1 104498461 574014641 /nfs/dbraw/zinc/01/46/41/574014641.db2.gz YJDGKPHQCPVPEQ-LBPRGKRZSA-N 1 0 190.290 2.295 10 0 AEAERO CC[C@@H](C)C[C@@H]([NH3+])c1nccn1CC 128065499 574014645 /nfs/dbraw/zinc/01/46/45/574014645.db2.gz QBCGDTPYKQWKDH-NXEZZACHSA-N 1 0 195.310 2.339 10 0 AEAERO CC[C@H](C)[C@@](C)([NH3+])C(F)F 87688201 574014696 /nfs/dbraw/zinc/01/46/96/574014696.db2.gz YWDMMBLGITXXJV-CAHLUQPWSA-N 1 0 151.200 2.015 10 0 AEAERO CC[C@]([NH3+])(C(C)C)C(F)F 87687957 574014706 /nfs/dbraw/zinc/01/47/06/574014706.db2.gz USMLDEOFQSFFDF-ZETCQYMHSA-N 1 0 151.200 2.015 10 0 AEAERO CCC(CC)[C@@H]([NH3+])c1nccn1CC 128074015 574014720 /nfs/dbraw/zinc/01/47/20/574014720.db2.gz JXBDHUCONJAOGX-SNVBAGLBSA-N 1 0 195.310 2.339 10 0 AEAERO C[NH2+][C@@]1(C(F)F)CCC[C@@H](C)C1 87688514 574014740 /nfs/dbraw/zinc/01/47/40/574014740.db2.gz MAZQFWUFDKPOEC-APPZFPTMSA-N 1 0 177.238 2.420 10 0 AEAERO C[NH2+]CC1([C@H](C)COC)CCCCC1 128058600 574014762 /nfs/dbraw/zinc/01/47/62/574014762.db2.gz HERAZNQLAAKETD-LLVKDONJSA-N 1 0 199.338 2.439 10 0 AEAERO C[C@@H]1CC[C@@]([NH3+])(C(F)F)[C@H](C)C1 87688332 574014783 /nfs/dbraw/zinc/01/47/83/574014783.db2.gz FCRMUZXJWZXQSN-BHNWBGBOSA-N 1 0 177.238 2.405 10 0 AEAERO [NH3+][C@@H]1COc2cc3ccccc3cc21 104496768 574014794 /nfs/dbraw/zinc/01/47/94/574014794.db2.gz KITCDERHQOXDGS-LLVKDONJSA-N 1 0 185.226 2.232 10 0 AEAERO C[C@H](c1ccccc1)[C@@H]([NH3+])C(F)F 87687965 574014828 /nfs/dbraw/zinc/01/48/28/574014828.db2.gz FHEHTXDPLQPSNH-VXNVDRBHSA-N 1 0 185.217 2.383 10 0 AEAERO CCC[C@@H](C)[C@@H]([NH3+])C(F)F 87688196 574014840 /nfs/dbraw/zinc/01/48/40/574014840.db2.gz YJEUTFLTLPRBCG-PHDIDXHHSA-N 1 0 151.200 2.015 10 0 AEAERO CC1CC([NH2+][C@@H]2CCCCC[C@@H]2O)C1 123398959 574014841 /nfs/dbraw/zinc/01/48/41/574014841.db2.gz UWZAQYVXMGYLLJ-HCWSGVFWSA-N 1 0 197.322 2.068 10 0 AEAERO C[C@H]1C[C@@]([NH3+])(C(F)F)CC[C@H]1C 87688306 574014848 /nfs/dbraw/zinc/01/48/48/574014848.db2.gz OGFRATFKEVOKFT-BKPPORCPSA-N 1 0 177.238 2.405 10 0 AEAERO CC[C@H]([NH3+])c1ccc(N)c(Cl)c1 104497800 574014865 /nfs/dbraw/zinc/01/48/65/574014865.db2.gz DMIRWPMDSCBGPU-QMMMGPOBSA-N 1 0 184.670 2.332 10 0 AEAERO Cc1cc(N)ccc1[C@@H]1CCCC[NH2+]1 104497149 574014875 /nfs/dbraw/zinc/01/48/75/574014875.db2.gz RMDQEIWSELDQTF-LBPRGKRZSA-N 1 0 190.290 2.392 10 0 AEAERO C=Cc1cc([C@@H](C)[NH2+]C)ccn1 209789595 574014894 /nfs/dbraw/zinc/01/48/94/574014894.db2.gz YBQQUUNIHWTTNO-MRVPVSSYSA-N 1 0 162.236 2.005 10 0 AEAERO C[C@H]1C[C@H](C)CC([NH3+])(C(F)F)C1 87687973 574014906 /nfs/dbraw/zinc/01/49/06/574014906.db2.gz PWTZXAMVHOYFKJ-BQBZGAKWSA-N 1 0 177.238 2.405 10 0 AEAERO CC[C@]([NH2+]C)(C(C)C)C(F)F 87688435 574014945 /nfs/dbraw/zinc/01/49/45/574014945.db2.gz IDDPRQFUTACQGH-QMMMGPOBSA-N 1 0 165.227 2.276 10 0 AEAERO CCC[C@H]([NH3+])c1ncc(F)cc1F 104495617 574014989 /nfs/dbraw/zinc/01/49/89/574014989.db2.gz ZLDHCCBVXRYYBS-QMMMGPOBSA-N 1 0 186.205 2.160 10 0 AEAERO CCC[C@](C)(C[NH2+]C)[C@H](C)COC 128073380 574015015 /nfs/dbraw/zinc/01/50/15/574015015.db2.gz MFEPKAJCBJKCJF-GHMZBOCLSA-N 1 0 187.327 2.295 10 0 AEAERO CCC(CC)[C@@H]([NH3+])C(F)F 87688257 574015023 /nfs/dbraw/zinc/01/50/23/574015023.db2.gz JKFWDUJXMBDFMK-ZCFIWIBFSA-N 1 0 151.200 2.015 10 0 AEAERO CC[C@@H]([NH3+])c1ccc2c(c1)CCCN2 104496045 574015026 /nfs/dbraw/zinc/01/50/26/574015026.db2.gz WDVPGSNIYBISTG-LLVKDONJSA-N 1 0 190.290 2.455 10 0 AEAERO C[C@@H](c1ccccc1)[C@@H]([NH3+])C(F)F 87687964 574015035 /nfs/dbraw/zinc/01/50/35/574015035.db2.gz FHEHTXDPLQPSNH-IONNQARKSA-N 1 0 185.217 2.383 10 0 AEAERO CCC[C@H]([NH3+])c1ccc2c(c1)CCN2 104498446 574015041 /nfs/dbraw/zinc/01/50/41/574015041.db2.gz TUDCEQWZVZOJEF-NSHDSACASA-N 1 0 190.290 2.455 10 0 AEAERO C[NH2+][C@@]1(C(F)F)CCCC[C@@H]1C 87688781 574015045 /nfs/dbraw/zinc/01/50/45/574015045.db2.gz GDUMYZRCDQYNEJ-CBAPKCEASA-N 1 0 177.238 2.420 10 0 AEAERO C=Cc1ccncc1[C@@H](C)[NH2+]C 209789823 574015053 /nfs/dbraw/zinc/01/50/53/574015053.db2.gz UEPKGRABMGRIDJ-MRVPVSSYSA-N 1 0 162.236 2.005 10 0 AEAERO CN(C)c1cccc([C@H]([NH3+])C2CC2)c1 104497169 574015065 /nfs/dbraw/zinc/01/50/65/574015065.db2.gz AWKJSFZWWKRVGV-GFCCVEGCSA-N 1 0 190.290 2.162 10 0 AEAERO C[C@H]1CCC[C@H](C)C1([NH3+])C(F)F 87687976 574016241 /nfs/dbraw/zinc/01/62/41/574016241.db2.gz QPCQWWTVBZNPNU-BQBZGAKWSA-N 1 0 177.238 2.405 10 0 AEAERO C[NH2+]C1(C(F)F)CCCCC1 87688761 574016248 /nfs/dbraw/zinc/01/62/48/574016248.db2.gz INDFUBJXIDHRNU-UHFFFAOYSA-N 1 0 163.211 2.174 10 0 AEAERO C[NH2+][C@]1(C(F)F)CCC[C@H]1C 87688718 574016306 /nfs/dbraw/zinc/01/63/06/574016306.db2.gz NFXNMYBBXHMJIW-HTRCEHHLSA-N 1 0 163.211 2.030 10 0 AEAERO CC[C@H]([NH3+])c1cc(Cl)ncc1F 104503552 574016356 /nfs/dbraw/zinc/01/63/56/574016356.db2.gz PCVNYNPQZKTMAF-ZETCQYMHSA-N 1 0 188.633 2.284 10 0 AEAERO CCn1ccnc1[C@H]([NH3+])C(C)(C)CC 128068879 574016357 /nfs/dbraw/zinc/01/63/57/574016357.db2.gz SYTTVIKNQPGPSD-VIFPVBQESA-N 1 0 195.310 2.339 10 0 AEAERO C[NH2+][C@@]1(C(F)F)CCC[C@H]1C 87688720 574016377 /nfs/dbraw/zinc/01/63/77/574016377.db2.gz NFXNMYBBXHMJIW-SVRRBLITSA-N 1 0 163.211 2.030 10 0 AEAERO [NH3+][C@H]1CCc2ccc(C(F)F)cc2C1 104503876 574016449 /nfs/dbraw/zinc/01/64/49/574016449.db2.gz NOESQAAJVFSYPL-JTQLQIEISA-N 1 0 197.228 2.440 10 0 AEAERO C[C@@H](c1ccccc1)[C@H]([NH3+])C(F)F 87687962 574016453 /nfs/dbraw/zinc/01/64/53/574016453.db2.gz FHEHTXDPLQPSNH-CBAPKCEASA-N 1 0 185.217 2.383 10 0 AEAERO CCC[C@](C)(C[NH2+]C)[C@@H](C)COC 128072946 574016488 /nfs/dbraw/zinc/01/64/88/574016488.db2.gz MFEPKAJCBJKCJF-WDEREUQCSA-N 1 0 187.327 2.295 10 0 AEAERO COC[C@H]([NH3+])c1cc(C)c(C)s1 104501188 574016494 /nfs/dbraw/zinc/01/64/94/574016494.db2.gz BVYRAVLPVHGJOD-QMMMGPOBSA-N 1 0 185.292 2.011 10 0 AEAERO COc1c(Cl)ccc2c1CC[C@H]2[NH3+] 104501812 574016509 /nfs/dbraw/zinc/01/65/09/574016509.db2.gz YDMGGTZPXUXOBQ-SECBINFHSA-N 1 0 197.665 2.295 10 0 AEAERO c1cc2c(cc1[C@H]1CC[NH2+]1)CCCN2 104501442 574017007 /nfs/dbraw/zinc/01/70/07/574017007.db2.gz NKFIRAUQHVAKOO-GFCCVEGCSA-N 1 0 188.274 2.079 10 0 AEAERO C[NH2+][C@@](C)(C(F)F)C1(C)CC1 87688532 574016522 /nfs/dbraw/zinc/01/65/22/574016522.db2.gz UWKFFWQSARROJH-QMMMGPOBSA-N 1 0 163.211 2.030 10 0 AEAERO CCn1ccnc1[C@@H]([NH3+])[C@H](C)C(C)C 128077826 574016569 /nfs/dbraw/zinc/01/65/69/574016569.db2.gz FMMSXQQGEOBBEJ-ZJUUUORDSA-N 1 0 195.310 2.195 10 0 AEAERO CC(C)C[C@@](C)([NH3+])C(F)F 87688358 574016577 /nfs/dbraw/zinc/01/65/77/574016577.db2.gz VZYHSHFFCIYRIN-SSDOTTSWSA-N 1 0 151.200 2.015 10 0 AEAERO COc1cc([C@H]2CC[NH2+]2)cc(F)c1F 104500997 574016585 /nfs/dbraw/zinc/01/65/85/574016585.db2.gz DFHWHEGAQWGRGF-MRVPVSSYSA-N 1 0 199.200 2.008 10 0 AEAERO CCC[C@](C)([NH2+]C)C(F)F 87688724 574016603 /nfs/dbraw/zinc/01/66/03/574016603.db2.gz OBDJTEZAXBLHRR-ZETCQYMHSA-N 1 0 151.200 2.030 10 0 AEAERO CC[C@@H]1CC[C@@]([NH2+]C)(C(F)F)C1 87688623 574016638 /nfs/dbraw/zinc/01/66/38/574016638.db2.gz JSSFFUBPIVICIU-APPZFPTMSA-N 1 0 177.238 2.420 10 0 AEAERO CCC[C@@H](C)[C@H]([NH3+])C(F)F 87688194 574016650 /nfs/dbraw/zinc/01/66/50/574016650.db2.gz YJEUTFLTLPRBCG-RITPCOANSA-N 1 0 151.200 2.015 10 0 AEAERO Cc1cc([C@@H]([NH3+])C2CC2)cc(C)c1N 104500631 574016671 /nfs/dbraw/zinc/01/66/71/574016671.db2.gz PFVHYJQDXHAEJV-LBPRGKRZSA-N 1 0 190.290 2.295 10 0 AEAERO COc1cc(Cl)c2c(c1)[C@H]([NH3+])CC2 104501822 574016703 /nfs/dbraw/zinc/01/67/03/574016703.db2.gz NJGNAHLELWRCLK-SNVBAGLBSA-N 1 0 197.665 2.295 10 0 AEAERO CCC(CC)C[C@H](CCOC)[NH2+]C 128073859 574016711 /nfs/dbraw/zinc/01/67/11/574016711.db2.gz ZHUKDVWGQGSDIL-NSHDSACASA-N 1 0 187.327 2.437 10 0 AEAERO C[C@]([NH3+])(C(F)F)C1CCCC1 87688372 574016713 /nfs/dbraw/zinc/01/67/13/574016713.db2.gz QYFCTVPELVVYHZ-MRVPVSSYSA-N 1 0 163.211 2.159 10 0 AEAERO OCc1sccc1[C@H]1CCCC[NH2+]1 104502878 574016719 /nfs/dbraw/zinc/01/67/19/574016719.db2.gz AZUHRZUMLIRIJM-SECBINFHSA-N 1 0 197.303 2.055 10 0 AEAERO CC(C)C[C@](C)([NH3+])C(F)F 87688357 574016733 /nfs/dbraw/zinc/01/67/33/574016733.db2.gz VZYHSHFFCIYRIN-ZETCQYMHSA-N 1 0 151.200 2.015 10 0 AEAERO C[NH2+][C@]1(C(F)F)CC[C@H](C)C1 87688493 574016762 /nfs/dbraw/zinc/01/67/62/574016762.db2.gz XWBJEOXAWYHWJH-POYBYMJQSA-N 1 0 163.211 2.030 10 0 AEAERO CC[C@@]([NH3+])(C(C)C)C(F)F 87687956 574016769 /nfs/dbraw/zinc/01/67/69/574016769.db2.gz USMLDEOFQSFFDF-SSDOTTSWSA-N 1 0 151.200 2.015 10 0 AEAERO Cc1cccc([C@H]([NH3+])CC2CC2)c1N 104502618 574016784 /nfs/dbraw/zinc/01/67/84/574016784.db2.gz JOTGWAHNPFKCLN-LLVKDONJSA-N 1 0 190.290 2.377 10 0 AEAERO Cc1ccc([C@H]([NH3+])CC2CC2)c(C)n1 104502589 574016809 /nfs/dbraw/zinc/01/68/09/574016809.db2.gz ZBNIKDUKEJOJIR-GFCCVEGCSA-N 1 0 190.290 2.498 10 0 AEAERO Cc1ccc([C@H]2CCCC[NH2+]2)c(N)c1 104503726 574016816 /nfs/dbraw/zinc/01/68/16/574016816.db2.gz VMONZNAVJSEFSR-GFCCVEGCSA-N 1 0 190.290 2.392 10 0 AEAERO CC[C@H](C)C[C@@H]([NH3+])c1nccn1CC 128065741 574016827 /nfs/dbraw/zinc/01/68/27/574016827.db2.gz QBCGDTPYKQWKDH-VHSXEESVSA-N 1 0 195.310 2.339 10 0 AEAERO CCC[C@@H](C)[C@H]([NH2+]C)c1cnccn1 128085494 574016833 /nfs/dbraw/zinc/01/68/33/574016833.db2.gz CRWMLERLPCCIGP-KOLCDFICSA-N 1 0 193.294 2.173 10 0 AEAERO C[C@@H]1CCC[C@@]([NH3+])(C(F)F)[C@@H]1C 87688274 574016853 /nfs/dbraw/zinc/01/68/53/574016853.db2.gz CSWRSZQDBQWYGO-BHNWBGBOSA-N 1 0 177.238 2.405 10 0 AEAERO CC[C@@H]1CC[C@@]([NH3+])(C(F)F)C1 87688163 574016883 /nfs/dbraw/zinc/01/68/83/574016883.db2.gz XCCCOVNZIQZZAF-SVRRBLITSA-N 1 0 163.211 2.159 10 0 AEAERO CCC(CC)C[C@@H](CCOC)[NH2+]C 128073615 574016891 /nfs/dbraw/zinc/01/68/91/574016891.db2.gz ZHUKDVWGQGSDIL-LLVKDONJSA-N 1 0 187.327 2.437 10 0 AEAERO C[NH2+]CC1([C@@H](C)COC)CCCC1 128065357 574016895 /nfs/dbraw/zinc/01/68/95/574016895.db2.gz FCUIHSDIYDHCKQ-JTQLQIEISA-N 1 0 185.311 2.049 10 0 AEAERO Cc1cccc([C@H]2CCCC[NH2+]2)c1N 104502632 574016897 /nfs/dbraw/zinc/01/68/97/574016897.db2.gz PQAQGRBYVLDXCI-LLVKDONJSA-N 1 0 190.290 2.392 10 0 AEAERO C[NH2+]CC1([C@@H](C)COC)CCCCC1 128058400 574016918 /nfs/dbraw/zinc/01/69/18/574016918.db2.gz HERAZNQLAAKETD-NSHDSACASA-N 1 0 199.338 2.439 10 0 AEAERO C[NH2+][C@](C)(C(F)F)C1(C)CC1 87688531 574016950 /nfs/dbraw/zinc/01/69/50/574016950.db2.gz UWKFFWQSARROJH-MRVPVSSYSA-N 1 0 163.211 2.030 10 0 AEAERO Cc1ccc([C@@H]2CCCC[NH2+]2)c(N)c1 104503719 574016952 /nfs/dbraw/zinc/01/69/52/574016952.db2.gz VMONZNAVJSEFSR-LBPRGKRZSA-N 1 0 190.290 2.392 10 0 AEAERO COC[C@@H]([NH3+])c1cc(C)c(C)s1 104501184 574016959 /nfs/dbraw/zinc/01/69/59/574016959.db2.gz BVYRAVLPVHGJOD-MRVPVSSYSA-N 1 0 185.292 2.011 10 0 AEAERO CCC[C@@H](C)[C@H]([NH3+])c1nccn1CC 128058678 574016964 /nfs/dbraw/zinc/01/69/64/574016964.db2.gz QIKYPRDZPVXYHP-ZJUUUORDSA-N 1 0 195.310 2.339 10 0 AEAERO CC[NH2+][C@@H](COC)CC(CC)CC 128076649 574016971 /nfs/dbraw/zinc/01/69/71/574016971.db2.gz XCMWGEZISFGTSF-LLVKDONJSA-N 1 0 187.327 2.437 10 0 AEAERO CC[C@H](C)C[C@H]([NH3+])c1nccn1CC 128065279 574016995 /nfs/dbraw/zinc/01/69/95/574016995.db2.gz QBCGDTPYKQWKDH-UWVGGRQHSA-N 1 0 195.310 2.339 10 0 AEAERO Cc1cccc([C@@H]([NH3+])CC2CC2)c1N 104502623 574017686 /nfs/dbraw/zinc/01/76/86/574017686.db2.gz JOTGWAHNPFKCLN-NSHDSACASA-N 1 0 190.290 2.377 10 0 AEAERO OCc1cc([C@@H]2CCCC[NH2+]2)cs1 104502863 574017754 /nfs/dbraw/zinc/01/77/54/574017754.db2.gz SOZREZBUDOYOHI-JTQLQIEISA-N 1 0 197.303 2.055 10 0 AEAERO CC[C@@H]([NH3+])c1cc(N)ccc1Cl 104501107 574017772 /nfs/dbraw/zinc/01/77/72/574017772.db2.gz DLUJGQXROBGIQM-SECBINFHSA-N 1 0 184.670 2.332 10 0 AEAERO Cc1ccc([C@H]([NH3+])CC2CC2)c(N)c1 104503713 574017774 /nfs/dbraw/zinc/01/77/74/574017774.db2.gz YZRNNIPEWPMNQK-GFCCVEGCSA-N 1 0 190.290 2.377 10 0 AEAERO Cc1ccc(SCCC[NH3+])c(N)c1 48686938 574017776 /nfs/dbraw/zinc/01/77/76/574017776.db2.gz OXZGAWKNYUOBAP-UHFFFAOYSA-N 1 0 196.319 2.018 10 0 AEAERO CCC(CC)C[C@H]([NH3+])[C@H]1CCCO1 128142086 574017777 /nfs/dbraw/zinc/01/77/77/574017777.db2.gz DAWCHJCXTULZTL-WDEREUQCSA-N 1 0 185.311 2.319 10 0 AEAERO Cc1ccc2c(c1Cl)OCC[C@@H]2[NH3+] 104499821 574017804 /nfs/dbraw/zinc/01/78/04/574017804.db2.gz SWWIORPPNLHHCJ-QMMMGPOBSA-N 1 0 197.665 2.431 10 0 AEAERO CCCCCC[NH2+]C(C)(C)[C@H](C)O 128128376 574017812 /nfs/dbraw/zinc/01/78/12/574017812.db2.gz YBEYGGBJNZGHBJ-JTQLQIEISA-N 1 0 187.327 2.316 10 0 AEAERO COc1c([C@H]2CC[NH2+]2)ccc(F)c1F 104499995 574017828 /nfs/dbraw/zinc/01/78/28/574017828.db2.gz HRPMPMAUOATDFZ-MRVPVSSYSA-N 1 0 199.200 2.008 10 0 AEAERO CC[C@@H]([NH3+])c1cc(Cl)ncc1F 104503556 574017833 /nfs/dbraw/zinc/01/78/33/574017833.db2.gz PCVNYNPQZKTMAF-SSDOTTSWSA-N 1 0 188.633 2.284 10 0 AEAERO CC[C@@H](O)C1(C[NH3+])CCCCCCC1 87690496 574017842 /nfs/dbraw/zinc/01/78/42/574017842.db2.gz OAUHANOFCJVMKF-LLVKDONJSA-N 1 0 199.338 2.447 10 0 AEAERO C[C@H]([NH3+])c1cnccc1C(F)(F)F 104502525 574017843 /nfs/dbraw/zinc/01/78/43/574017843.db2.gz JJHWPZSSWOCMTL-YFKPBYRVSA-N 1 0 190.168 2.120 10 0 AEAERO COc1cc(Cl)c2c(c1)[C@@H]([NH3+])CC2 104501819 574017863 /nfs/dbraw/zinc/01/78/63/574017863.db2.gz NJGNAHLELWRCLK-JTQLQIEISA-N 1 0 197.665 2.295 10 0 AEAERO CCCC1([C@H](O)[C@H](CC)C[NH3+])CCC1 686126884 574017887 /nfs/dbraw/zinc/01/78/87/574017887.db2.gz RIPZPXYRYPTRIS-GHMZBOCLSA-N 1 0 199.338 2.303 10 0 AEAERO COC[C@H]([NH3+])C1CCCCCCC1 87690329 574017921 /nfs/dbraw/zinc/01/79/21/574017921.db2.gz ZLZOOGQUSAQXMS-NSHDSACASA-N 1 0 185.311 2.321 10 0 AEAERO [NH3+][C@H]1CCc2c(cccc2C(F)F)C1 104503883 574017942 /nfs/dbraw/zinc/01/79/42/574017942.db2.gz SBOKRAXITKOSKY-QMMMGPOBSA-N 1 0 197.228 2.440 10 0 AEAERO Cc1cc(N)ccc1SCCC[NH3+] 48686950 574017959 /nfs/dbraw/zinc/01/79/59/574017959.db2.gz CRYOVWMMDVMMOY-UHFFFAOYSA-N 1 0 196.319 2.018 10 0 AEAERO [NH3+]C1(c2cc(F)cc3cc[nH]c23)CC1 104499462 574018005 /nfs/dbraw/zinc/01/80/05/574018005.db2.gz ROPRAHNZLPYNLS-UHFFFAOYSA-N 1 0 190.221 2.255 10 0 AEAERO CC[NH2+][C@H](COCC)c1ccc(C)o1 131803283 574018113 /nfs/dbraw/zinc/01/81/13/574018113.db2.gz APDICZQLYDGDBU-SNVBAGLBSA-N 1 0 197.278 2.275 10 0 AEAERO CC[NH2+][C@](C)(CC)C(F)F 87689151 574018130 /nfs/dbraw/zinc/01/81/30/574018130.db2.gz JCJVECCFLDOECJ-SSDOTTSWSA-N 1 0 151.200 2.030 10 0 AEAERO CCC[C@H](C)[C@@H]([NH2+]C)c1cnccn1 128086184 574018199 /nfs/dbraw/zinc/01/81/99/574018199.db2.gz CRWMLERLPCCIGP-GXSJLCMTSA-N 1 0 193.294 2.173 10 0 AEAERO CC[NH2+][C@@]1(C(F)F)CCC[C@H]1C 87689120 574018235 /nfs/dbraw/zinc/01/82/35/574018235.db2.gz XKQSDIKTLODQJP-APPZFPTMSA-N 1 0 177.238 2.420 10 0 AEAERO COC[C@@H](C)[C@H](C[NH3+])c1ccccc1 128125475 574018239 /nfs/dbraw/zinc/01/82/39/574018239.db2.gz ACIKQCAAKDANSN-PWSUYJOCSA-N 1 0 193.290 2.011 10 0 AEAERO CCCC1([C@H](O)[C@@H](CC)C[NH3+])CCC1 686126889 574018254 /nfs/dbraw/zinc/01/82/54/574018254.db2.gz RIPZPXYRYPTRIS-WDEREUQCSA-N 1 0 199.338 2.303 10 0 AEAERO CCC[NH2+]CC1([C@@H](C)COC)CC1 128133138 574018285 /nfs/dbraw/zinc/01/82/85/574018285.db2.gz XNPOVAPVNPJBJR-JTQLQIEISA-N 1 0 185.311 2.049 10 0 AEAERO COC[C@@H]([NH3+])C1CCCCCCC1 87690330 574018296 /nfs/dbraw/zinc/01/82/96/574018296.db2.gz ZLZOOGQUSAQXMS-LLVKDONJSA-N 1 0 185.311 2.321 10 0 AEAERO CCC(CC)C[C@H]([NH3+])[C@@H]1CCCO1 128141629 574018334 /nfs/dbraw/zinc/01/83/34/574018334.db2.gz DAWCHJCXTULZTL-QWRGUYRKSA-N 1 0 185.311 2.319 10 0 AEAERO CCC[C@H](C)[C@H]([NH2+]C)c1cnccn1 128085714 574018368 /nfs/dbraw/zinc/01/83/68/574018368.db2.gz CRWMLERLPCCIGP-ONGXEEELSA-N 1 0 193.294 2.173 10 0 AEAERO CCC[NH2+]C1(C(F)F)CCC1 87689489 574018375 /nfs/dbraw/zinc/01/83/75/574018375.db2.gz XFCWFJGWHNMEMI-UHFFFAOYSA-N 1 0 163.211 2.174 10 0 AEAERO COC[C@H](C)C1(C[NH2+]C(C)(C)C)CC1 128135843 574018391 /nfs/dbraw/zinc/01/83/91/574018391.db2.gz CGYQFFXGQUYRMH-JTQLQIEISA-N 1 0 199.338 2.437 10 0 AEAERO CC[NH2+][C@@](C)(CC)C(F)F 87689150 574018401 /nfs/dbraw/zinc/01/84/01/574018401.db2.gz JCJVECCFLDOECJ-ZETCQYMHSA-N 1 0 151.200 2.030 10 0 AEAERO CCC(CC)(C[NH2+]C)[C@@H](C)COC 128087022 574018416 /nfs/dbraw/zinc/01/84/16/574018416.db2.gz LZAUDTNXZOGJSG-JTQLQIEISA-N 1 0 187.327 2.295 10 0 AEAERO CCC1(/C=C/CC[NH3+])CCC1 686130304 574017670 /nfs/dbraw/zinc/01/76/70/574017670.db2.gz QWLBNWRAQQYJAI-ZZXKWVIFSA-N 1 0 153.269 2.472 10 0 AEAERO CC(C)[C@H]([NH3+])[C@H]1CCCCS1 87713340 574019598 /nfs/dbraw/zinc/01/95/98/574019598.db2.gz FBWFLRAVJAGSTJ-BDAKNGLRSA-N 1 0 173.325 2.255 10 0 AEAERO [NH3+][C@@H](CC1CC1)c1ccc(F)nc1F 104504080 574019601 /nfs/dbraw/zinc/01/96/01/574019601.db2.gz IVMAMZQVUAJGMK-QMMMGPOBSA-N 1 0 198.216 2.160 10 0 AEAERO [NH3+][C@@H](C1CC1)[C@H]1CCCCS1 87713541 574019619 /nfs/dbraw/zinc/01/96/19/574019619.db2.gz REVSFRDQRWXKNL-BDAKNGLRSA-N 1 0 171.309 2.009 10 0 AEAERO COC[C@@H](C)[C@@H](C[NH3+])c1ccccc1 128124994 574019620 /nfs/dbraw/zinc/01/96/20/574019620.db2.gz ACIKQCAAKDANSN-ZYHUDNBSSA-N 1 0 193.290 2.011 10 0 AEAERO C[NH2+][C@@H](C=C(C)C)[C@@H]1CCCS1 87712007 574019653 /nfs/dbraw/zinc/01/96/53/574019653.db2.gz QQPXVFJGDKUTDB-UWVGGRQHSA-N 1 0 185.336 2.436 10 0 AEAERO [NH3+][C@H](CC1CC1)[C@@H]1CCCS1 87705703 574019657 /nfs/dbraw/zinc/01/96/57/574019657.db2.gz NISGIJBWYUWJNL-BDAKNGLRSA-N 1 0 171.309 2.009 10 0 AEAERO C[NH2+][C@@H](C=C(C)C)[C@H]1CCCS1 87712009 574019674 /nfs/dbraw/zinc/01/96/74/574019674.db2.gz QQPXVFJGDKUTDB-VHSXEESVSA-N 1 0 185.336 2.436 10 0 AEAERO [NH3+][C@H](CC1CCC1)[C@H]1CCCS1 87711866 574019689 /nfs/dbraw/zinc/01/96/89/574019689.db2.gz GNKYBAZUHZTZBO-NXEZZACHSA-N 1 0 185.336 2.400 10 0 AEAERO [NH3+][C@@H](CC1CC1)[C@H]1CCCCS1 87713533 574019722 /nfs/dbraw/zinc/01/97/22/574019722.db2.gz SFEPSTCNVRTONE-VHSXEESVSA-N 1 0 185.336 2.400 10 0 AEAERO [NH3+][C@@H]1CCc2cc(C(F)F)ccc2C1 104504657 574019749 /nfs/dbraw/zinc/01/97/49/574019749.db2.gz GGXPLRDVUPYTHZ-SNVBAGLBSA-N 1 0 197.228 2.440 10 0 AEAERO CCC[C@@H]([NH3+])[C@H]1CCCCS1 87713493 574019751 /nfs/dbraw/zinc/01/97/51/574019751.db2.gz RRCGRHURDRGDIF-RKDXNWHRSA-N 1 0 173.325 2.400 10 0 AEAERO CCC(CC)C[C@@H]([NH3+])[C@@H]1CCCO1 128141852 574019757 /nfs/dbraw/zinc/01/97/57/574019757.db2.gz DAWCHJCXTULZTL-MNOVXSKESA-N 1 0 185.311 2.319 10 0 AEAERO CCCC[C@@H]([NH3+])[C@H]1CCCS1 87705807 574019759 /nfs/dbraw/zinc/01/97/59/574019759.db2.gz DTWWAXIUDQVKAH-RKDXNWHRSA-N 1 0 173.325 2.400 10 0 AEAERO CC(C)NC(=[NH2+])[C@H]1CCCCS1 87716634 574019762 /nfs/dbraw/zinc/01/97/62/574019762.db2.gz AULSVKBNDFFRLJ-MRVPVSSYSA-N 1 0 186.324 2.247 10 0 AEAERO CC(C)[C@@H]([NH3+])[C@@H]1CCCCS1 87713339 574019766 /nfs/dbraw/zinc/01/97/66/574019766.db2.gz FBWFLRAVJAGSTJ-DTWKUNHWSA-N 1 0 173.325 2.255 10 0 AEAERO CCc1cc([C@@H](C)[NH3+])cc(CC)c1N 104505652 574019773 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AEAERO CCCC[C@@H]1[NH2+][C@H](C)CS1 85309900 574031669 /nfs/dbraw/zinc/03/16/69/574031669.db2.gz BDVIOMYVVIHPEW-HTQZYQBOSA-N 1 0 159.298 2.228 10 0 AEAERO CCCCCC[NH2+]CCF 87775203 574031704 /nfs/dbraw/zinc/03/17/04/574031704.db2.gz WKMXWXJTKHYATD-UHFFFAOYSA-N 1 0 147.237 2.126 10 0 AEAERO CC1([NH2+]CCF)CCCCC1 87775021 574031714 /nfs/dbraw/zinc/03/17/14/574031714.db2.gz OCDPLQXZDKIAEI-UHFFFAOYSA-N 1 0 159.248 2.268 10 0 AEAERO C[C@H]1CS[C@H](C2CCCC2)[NH2+]1 85309880 574031755 /nfs/dbraw/zinc/03/17/55/574031755.db2.gz ZRROHNUZWTWCHM-IONNQARKSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@@H]1CS[C@@H](c2ccc(O)cc2)[NH2+]1 85309393 574031766 /nfs/dbraw/zinc/03/17/66/574031766.db2.gz WXVGDZWJUFWAPT-XCBNKYQSSA-N 1 0 195.287 2.116 10 0 AEAERO C[C@@H]1CS[C@@H](CC(C)(C)C)[NH2+]1 85309566 574031770 /nfs/dbraw/zinc/03/17/70/574031770.db2.gz YRULXJQGDSCRDF-SFYZADRCSA-N 1 0 173.325 2.474 10 0 AEAERO CC[C@H](C)[C@H]1[NH2+][C@H](C)CS1 85310269 574031778 /nfs/dbraw/zinc/03/17/78/574031778.db2.gz IDVVVQUJFGSHPB-RNJXMRFFSA-N 1 0 159.298 2.084 10 0 AEAERO C[C@H]1CSC[C@H](c2ccccc2)[NH2+]1 85310689 574031798 /nfs/dbraw/zinc/03/17/98/574031798.db2.gz XOJPUMXAGUCRNE-GXSJLCMTSA-N 1 0 193.315 2.453 10 0 AEAERO C[C@@H](C[NH3+])SCCc1ccccc1 85305682 574031802 /nfs/dbraw/zinc/03/18/02/574031802.db2.gz WEWXMYPJNAZMPB-JTQLQIEISA-N 1 0 195.331 2.310 10 0 AEAERO C[C@@H]1CSC[C@@H](c2ccccc2)[NH2+]1 85310691 574031830 /nfs/dbraw/zinc/03/18/30/574031830.db2.gz XOJPUMXAGUCRNE-KOLCDFICSA-N 1 0 193.315 2.453 10 0 AEAERO C[C@@H]1SC[C@@H](C)[NH2+][C@H]1c1ccco1 85310804 574031837 /nfs/dbraw/zinc/03/18/37/574031837.db2.gz ZNZJJEAHWXBOIB-KHQFGBGNSA-N 1 0 197.303 2.434 10 0 AEAERO C[C@H]1CSC[C@H](c2ccco2)[NH2+]1 85311364 574031844 /nfs/dbraw/zinc/03/18/44/574031844.db2.gz IFYRSJBNBOEVIF-JGVFFNPUSA-N 1 0 183.276 2.046 10 0 AEAERO C[C@H]1CS[C@H](c2ccc(O)cc2)[NH2+]1 85309391 574031847 /nfs/dbraw/zinc/03/18/47/574031847.db2.gz WXVGDZWJUFWAPT-OIBJUYFYSA-N 1 0 195.287 2.116 10 0 AEAERO C[C@@H]1CS[C@H]([C@H]2CC=CCC2)[NH2+]1 85309950 574031861 /nfs/dbraw/zinc/03/18/61/574031861.db2.gz JNPDOLNEJWILAE-KXUCPTDWSA-N 1 0 183.320 2.394 10 0 AEAERO C[C@@H]1CS[C@H](c2cccs2)[NH2+]1 85309775 574031863 /nfs/dbraw/zinc/03/18/63/574031863.db2.gz HIYGBTFCTNHXCV-HTRCEHHLSA-N 1 0 185.317 2.472 10 0 AEAERO C[C@H]1CS[C@H](Cc2ccccc2)[NH2+]1 85310336 574031867 /nfs/dbraw/zinc/03/18/67/574031867.db2.gz NANDQWLWYBDCRM-GXSJLCMTSA-N 1 0 193.315 2.280 10 0 AEAERO C[C@@H]1CS[C@H]2CCCCC[C@@H]2[NH2+]1 85310677 574031887 /nfs/dbraw/zinc/03/18/87/574031887.db2.gz LVFNOOSKRWUUOO-UTLUCORTSA-N 1 0 185.336 2.413 10 0 AEAERO CC[C@H](C)CS[C@@H](C)C[NH3+] 85306357 574031924 /nfs/dbraw/zinc/03/19/24/574031924.db2.gz HQNUXRHPIMVEJO-YUMQZZPRSA-N 1 0 161.314 2.113 10 0 AEAERO C[C@H]1CSC[C@H](C(C)(C)C)[NH2+]1 85310667 574031937 /nfs/dbraw/zinc/03/19/37/574031937.db2.gz ISIPDOIWEJFJIP-JGVFFNPUSA-N 1 0 173.325 2.126 10 0 AEAERO C[C@@H]1CSC[C@H](C(C)(C)C)[NH2+]1 85310666 574031982 /nfs/dbraw/zinc/03/19/82/574031982.db2.gz ISIPDOIWEJFJIP-HTQZYQBOSA-N 1 0 173.325 2.126 10 0 AEAERO C[C@@H]1CS[C@H](Cc2ccccc2)[NH2+]1 85310335 574031986 /nfs/dbraw/zinc/03/19/86/574031986.db2.gz NANDQWLWYBDCRM-MWLCHTKSSA-N 1 0 193.315 2.280 10 0 AEAERO Cc1ccc([C@H]2CSC[C@@H](C)[NH2+]2)o1 85310821 574031994 /nfs/dbraw/zinc/03/19/94/574031994.db2.gz GTFDVGQYCHJRBV-VXNVDRBHSA-N 1 0 197.303 2.354 10 0 AEAERO C[C@@H]1CSC[C@H](c2ccco2)[NH2+]1 85311363 574032039 /nfs/dbraw/zinc/03/20/39/574032039.db2.gz IFYRSJBNBOEVIF-HTQZYQBOSA-N 1 0 183.276 2.046 10 0 AEAERO CC[C@@H](C)CS[C@H](C)C[NH3+] 85306358 574032057 /nfs/dbraw/zinc/03/20/57/574032057.db2.gz HQNUXRHPIMVEJO-HTQZYQBOSA-N 1 0 161.314 2.113 10 0 AEAERO C[C@H]1CS[C@@H](c2ccc(O)cc2)[NH2+]1 85309394 574032112 /nfs/dbraw/zinc/03/21/12/574032112.db2.gz WXVGDZWJUFWAPT-XVKPBYJWSA-N 1 0 195.287 2.116 10 0 AEAERO Cc1ccc([C@H]2CSC[C@H](C)[NH2+]2)o1 85310818 574032137 /nfs/dbraw/zinc/03/21/37/574032137.db2.gz GTFDVGQYCHJRBV-IONNQARKSA-N 1 0 197.303 2.354 10 0 AEAERO CC[C@@H](C)CS[C@@H](C)C[NH3+] 85306355 574032157 /nfs/dbraw/zinc/03/21/57/574032157.db2.gz HQNUXRHPIMVEJO-SFYZADRCSA-N 1 0 161.314 2.113 10 0 AEAERO C[C@@H]1CS[C@H](c2ccsc2)[NH2+]1 85309679 574032172 /nfs/dbraw/zinc/03/21/72/574032172.db2.gz XMMMNSDLTGVOSF-HTRCEHHLSA-N 1 0 185.317 2.472 10 0 AEAERO C[C@H](C[NH3+])SCc1cccs1 85306759 574032217 /nfs/dbraw/zinc/03/22/17/574032217.db2.gz FKWQUZAPANKCJV-SSDOTTSWSA-N 1 0 187.333 2.329 10 0 AEAERO CC(C)=CCS[C@@H](C)C[NH3+] 85308824 574032234 /nfs/dbraw/zinc/03/22/34/574032234.db2.gz HZWLRFANFSCMEZ-QMMMGPOBSA-N 1 0 159.298 2.033 10 0 AEAERO C[C@@H](C[NH3+])SCc1cccs1 85306755 574032235 /nfs/dbraw/zinc/03/22/35/574032235.db2.gz FKWQUZAPANKCJV-ZETCQYMHSA-N 1 0 187.333 2.329 10 0 AEAERO C[C@H]1CS[C@@H]2C[C@H](C)CC[C@@H]2[NH2+]1 85311164 574032238 /nfs/dbraw/zinc/03/22/38/574032238.db2.gz BRSXCUIMGIUVTN-XFWSIPNHSA-N 1 0 185.336 2.269 10 0 AEAERO C[C@H]1CS[C@H](c2ccsc2)[NH2+]1 85309681 574032247 /nfs/dbraw/zinc/03/22/47/574032247.db2.gz XMMMNSDLTGVOSF-POYBYMJQSA-N 1 0 185.317 2.472 10 0 AEAERO CC(C)C[C@@H]1[NH2+][C@H](C)CS1 85310184 574032250 /nfs/dbraw/zinc/03/22/50/574032250.db2.gz PDRANCLHCBCWRG-HTQZYQBOSA-N 1 0 159.298 2.084 10 0 AEAERO CC(C)C[C@@H]1[NH2+][C@@H](C)CS1 85310186 574032253 /nfs/dbraw/zinc/03/22/53/574032253.db2.gz PDRANCLHCBCWRG-JGVFFNPUSA-N 1 0 159.298 2.084 10 0 AEAERO CCC(CC)[C@H]1[NH2+][C@H](C)CS1 85309831 574032256 /nfs/dbraw/zinc/03/22/56/574032256.db2.gz CVPYPSBZIHQAPZ-APPZFPTMSA-N 1 0 173.325 2.474 10 0 AEAERO CC[C@H](C)[C@@H]1[NH2+][C@H](C)CS1 85310266 574032280 /nfs/dbraw/zinc/03/22/80/574032280.db2.gz IDVVVQUJFGSHPB-XLPZGREQSA-N 1 0 159.298 2.084 10 0 AEAERO CC(C)CCS[C@@H](C)C[NH3+] 85305634 574032320 /nfs/dbraw/zinc/03/23/20/574032320.db2.gz PCNVBSBCODHPLR-QMMMGPOBSA-N 1 0 161.314 2.113 10 0 AEAERO C[C@H]1CS[C@@H](CC(C)(C)C)[NH2+]1 85309568 574032362 /nfs/dbraw/zinc/03/23/62/574032362.db2.gz YRULXJQGDSCRDF-YUMQZZPRSA-N 1 0 173.325 2.474 10 0 AEAERO Cc1ccc([C@@H]2CSC[C@@H](C)[NH2+]2)o1 85310819 574032368 /nfs/dbraw/zinc/03/23/68/574032368.db2.gz GTFDVGQYCHJRBV-APPZFPTMSA-N 1 0 197.303 2.354 10 0 AEAERO CC(C)C[C@H]1[NH2+][C@H](C)CS1 85310188 574032381 /nfs/dbraw/zinc/03/23/81/574032381.db2.gz PDRANCLHCBCWRG-SFYZADRCSA-N 1 0 159.298 2.084 10 0 AEAERO CCC1([C@@H]2OCCC[C@H]2C[NH3+])CCC1 686130438 574032399 /nfs/dbraw/zinc/03/23/99/574032399.db2.gz TWZBHYRRRWLRHY-WDEREUQCSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@H]1CS[C@@H](C2CCCC2)[NH2+]1 85309884 574032411 /nfs/dbraw/zinc/03/24/11/574032411.db2.gz ZRROHNUZWTWCHM-CBAPKCEASA-N 1 0 171.309 2.228 10 0 AEAERO CCCC[C@H]1[NH2+][C@H](C)CS1 85309902 574032430 /nfs/dbraw/zinc/03/24/30/574032430.db2.gz BDVIOMYVVIHPEW-SFYZADRCSA-N 1 0 159.298 2.228 10 0 AEAERO CCCCCS[C@@H](C)C[NH3+] 85305638 574032445 /nfs/dbraw/zinc/03/24/45/574032445.db2.gz WPPSSWMOYZNADQ-QMMMGPOBSA-N 1 0 161.314 2.257 10 0 AEAERO C[C@@H]1CS[C@H]2CCCC[C@@H]2[NH2+]1 85310826 574032457 /nfs/dbraw/zinc/03/24/57/574032457.db2.gz NICPDZLGYOGGFB-VGMNWLOBSA-N 1 0 171.309 2.023 10 0 AEAERO CCCC[C@H]1[NH2+][C@@H](C)CS1 85309906 574032465 /nfs/dbraw/zinc/03/24/65/574032465.db2.gz BDVIOMYVVIHPEW-YUMQZZPRSA-N 1 0 159.298 2.228 10 0 AEAERO C[C@@H]1CCSC[C@@H](c2ccco2)[NH2+]1 85317872 574036360 /nfs/dbraw/zinc/03/63/60/574036360.db2.gz JQWWLKXIPHTDTA-BDAKNGLRSA-N 1 0 197.303 2.436 10 0 AEAERO C[C@H]1CCSC[C@@H](c2ccco2)[NH2+]1 85317873 574036383 /nfs/dbraw/zinc/03/63/83/574036383.db2.gz JQWWLKXIPHTDTA-IUCAKERBSA-N 1 0 197.303 2.436 10 0 AEAERO CCC[C@@H]1CSCC[C@@H](C)[NH2+]1 85318016 574036392 /nfs/dbraw/zinc/03/63/92/574036392.db2.gz NRMYILKUWFTHCK-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO C[C@@H]1CCS[C@H](C)[C@H](C2CC2)[NH2+]1 85317950 574036396 /nfs/dbraw/zinc/03/63/96/574036396.db2.gz IIUCXOYQIFXLDO-NQMVMOMDSA-N 1 0 185.336 2.269 10 0 AEAERO C[C@@H]1SCC[C@@H](C)[NH2+][C@H]1C1CC1 85317952 574036409 /nfs/dbraw/zinc/03/64/09/574036409.db2.gz IIUCXOYQIFXLDO-KHQFGBGNSA-N 1 0 185.336 2.269 10 0 AEAERO C[C@@H]1CCSC[C@H](c2ccco2)[NH2+]1 85317870 574036415 /nfs/dbraw/zinc/03/64/15/574036415.db2.gz JQWWLKXIPHTDTA-RKDXNWHRSA-N 1 0 197.303 2.436 10 0 AEAERO C[C@H]1CCS[C@H](C(C)(C)C)[NH2+]1 85318645 574036417 /nfs/dbraw/zinc/03/64/17/574036417.db2.gz LEQHEXNZAADWHJ-JGVFFNPUSA-N 1 0 173.325 2.474 10 0 AEAERO C[C@H]([NH3+])CCSCC1CCC1 85317347 574036425 /nfs/dbraw/zinc/03/64/25/574036425.db2.gz KFMIARFYVFFOIB-QMMMGPOBSA-N 1 0 173.325 2.257 10 0 AEAERO CC[C@@H]1[NH2+][C@@H](C)CCS[C@@H]1C 85317801 574036474 /nfs/dbraw/zinc/03/64/74/574036474.db2.gz XAUUEDNBFWYIIY-YIZRAAEISA-N 1 0 173.325 2.269 10 0 AEAERO CC(C)C[C@H]1[NH2+][C@@H](C)CCS1 85318467 574036483 /nfs/dbraw/zinc/03/64/83/574036483.db2.gz CMTXPEHDQCUKFW-IUCAKERBSA-N 1 0 173.325 2.474 10 0 AEAERO CSCC[C@@H]1[NH2+][C@H](C)CCS1 85318708 574036499 /nfs/dbraw/zinc/03/64/99/574036499.db2.gz WSHAULYJOIUUAW-HTQZYQBOSA-N 1 0 191.365 2.181 10 0 AEAERO CC[C@@H]1[NH2+][C@@H](C)CCS[C@H]1C 85317799 574036511 /nfs/dbraw/zinc/03/65/11/574036511.db2.gz XAUUEDNBFWYIIY-CIUDSAMLSA-N 1 0 173.325 2.269 10 0 AEAERO C[C@H]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 128199114 574036541 /nfs/dbraw/zinc/03/65/41/574036541.db2.gz UXFQIGGVDDFWJV-QJPTWQEYSA-N 1 0 199.338 2.173 10 0 AEAERO C[C@H]1CCS[C@@H](C(C)(C)C)[NH2+]1 85318647 574036543 /nfs/dbraw/zinc/03/65/43/574036543.db2.gz LEQHEXNZAADWHJ-YUMQZZPRSA-N 1 0 173.325 2.474 10 0 AEAERO C[C@@H]1CCS[C@H]2CCC[C@@H]2[NH2+]1 85317912 574036559 /nfs/dbraw/zinc/03/65/59/574036559.db2.gz VKWRRMZLORLTED-VGMNWLOBSA-N 1 0 171.309 2.023 10 0 AEAERO C[NH2+]C[C@H]([C@H](C)COC)C(C)(C)C 128190940 574036566 /nfs/dbraw/zinc/03/65/66/574036566.db2.gz ZGRJEBUKMCLBPG-NXEZZACHSA-N 1 0 187.327 2.151 10 0 AEAERO C/C=C/CSCC[C@H](C)[NH3+] 85317318 574036576 /nfs/dbraw/zinc/03/65/76/574036576.db2.gz WBUFGSLGUGKGEE-RTMURIBGSA-N 1 0 159.298 2.033 10 0 AEAERO CCC(CC)C[C@H]([NH2+]C)[C@@H](C)OC 128189638 574036601 /nfs/dbraw/zinc/03/66/01/574036601.db2.gz QOGAJFBHORRQNJ-KOLCDFICSA-N 1 0 187.327 2.436 10 0 AEAERO CC(C)[C@@H]1[NH2+][C@H](C)CCS1 85318484 574036609 /nfs/dbraw/zinc/03/66/09/574036609.db2.gz UDLUMDAMSKVQPV-HTQZYQBOSA-N 1 0 159.298 2.084 10 0 AEAERO C[C@@H]1CCS[C@H](C(C)(C)C)[NH2+]1 85318644 574036639 /nfs/dbraw/zinc/03/66/39/574036639.db2.gz LEQHEXNZAADWHJ-HTQZYQBOSA-N 1 0 173.325 2.474 10 0 AEAERO CCC[C@H]1[NH2+][C@@H](C)CCS1 85318547 574036645 /nfs/dbraw/zinc/03/66/45/574036645.db2.gz QBOLGIWMEBPJDE-YUMQZZPRSA-N 1 0 159.298 2.228 10 0 AEAERO CCC(CC)C[C@@H]([NH3+])[C@@H](C)OC 128188009 574036664 /nfs/dbraw/zinc/03/66/64/574036664.db2.gz PNTAFBAWCKGURV-PSASIEDQSA-N 1 0 173.300 2.175 10 0 AEAERO CC[NH2+][C@H](CCOC)[C@H]1CC[C@@H](C)C1 686240705 574036702 /nfs/dbraw/zinc/03/67/02/574036702.db2.gz OCURESVLHXRJOC-GRYCIOLGSA-N 1 0 199.338 2.437 10 0 AEAERO CCC[C@@H]1[NH2+][C@@H](C)CCS1 85318546 574036720 /nfs/dbraw/zinc/03/67/20/574036720.db2.gz QBOLGIWMEBPJDE-JGVFFNPUSA-N 1 0 159.298 2.228 10 0 AEAERO C[C@H]1CCSC[C@H](c2ccco2)[NH2+]1 85317871 574036734 /nfs/dbraw/zinc/03/67/34/574036734.db2.gz JQWWLKXIPHTDTA-DTWKUNHWSA-N 1 0 197.303 2.436 10 0 AEAERO CCCCN1CCC[C@H]([NH2+]C)C1(C)C 259291330 574037235 /nfs/dbraw/zinc/03/72/35/574037235.db2.gz HCGGTLRCINBIIX-NSHDSACASA-N 1 0 198.354 2.249 10 0 AEAERO CCC(CC)C[C@@H]([NH2+]C)[C@@H](C)OC 128189875 574036753 /nfs/dbraw/zinc/03/67/53/574036753.db2.gz QOGAJFBHORRQNJ-MWLCHTKSSA-N 1 0 187.327 2.436 10 0 AEAERO c1c[nH]c(CC[C@H]2CCCC[NH2+]2)c1 259290867 574036833 /nfs/dbraw/zinc/03/68/33/574036833.db2.gz ZTVHTNJKPVOJMS-SNVBAGLBSA-N 1 0 178.279 2.089 10 0 AEAERO CC(C)C[C@@H]1[NH2+][C@H](C)CCS1 85318464 574036841 /nfs/dbraw/zinc/03/68/41/574036841.db2.gz CMTXPEHDQCUKFW-RKDXNWHRSA-N 1 0 173.325 2.474 10 0 AEAERO C[C@@H]1CCS[C@@H]2CCCC[C@@H]2[NH2+]1 85317834 574036847 /nfs/dbraw/zinc/03/68/47/574036847.db2.gz OYIIXTKBJYITMQ-KXUCPTDWSA-N 1 0 185.336 2.413 10 0 AEAERO CCC(=[NH2+])NC[C@@]1(C)CCCS1 87797631 574036877 /nfs/dbraw/zinc/03/68/77/574036877.db2.gz OWHRBRBQICVHJY-SECBINFHSA-N 1 0 186.324 2.249 10 0 AEAERO CC[C@@H](C)Nc1cccc(NC)[nH+]1 87806977 574036947 /nfs/dbraw/zinc/03/69/47/574036947.db2.gz QUSAXSSTCYBCKY-MRVPVSSYSA-N 1 0 179.267 2.334 10 0 AEAERO CCNc1cccc(NC2CC2)[nH+]1 87807059 574036985 /nfs/dbraw/zinc/03/69/85/574036985.db2.gz PRFGPEDXRCFUTB-UHFFFAOYSA-N 1 0 177.251 2.088 10 0 AEAERO CC(C)[C@@H]1[NH2+]CC[C@H](C)S1 85341955 574037160 /nfs/dbraw/zinc/03/71/60/574037160.db2.gz JBVVCMFESMIXDA-JGVFFNPUSA-N 1 0 159.298 2.084 10 0 AEAERO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)S1 85342256 574037187 /nfs/dbraw/zinc/03/71/87/574037187.db2.gz RKISCBRSTFONDY-SFYZADRCSA-N 1 0 173.325 2.474 10 0 AEAERO CCCNc1cc(C)[nH+]c(NCC)n1 87806693 574037192 /nfs/dbraw/zinc/03/71/92/574037192.db2.gz NYWHONTVLIBXCW-UHFFFAOYSA-N 1 0 194.282 2.039 10 0 AEAERO Cc1ccc([C@H](F)[C@@H](C)[NH3+])cc1 258470519 574037215 /nfs/dbraw/zinc/03/72/15/574037215.db2.gz IDGPUZRCERRWLQ-PSASIEDQSA-N 1 0 167.227 2.353 10 0 AEAERO C[C@H]1C[NH2+][C@@H](C2CCCC2)SC1 85337332 574039129 /nfs/dbraw/zinc/03/91/29/574039129.db2.gz MNEOFXJGLSTDIO-WCBMZHEXSA-N 1 0 185.336 2.475 10 0 AEAERO CC(C)C[C@@H]1[NH2+]CC[C@H](C)S1 85341922 574038320 /nfs/dbraw/zinc/03/83/20/574038320.db2.gz FJVFMGZBBZOWRU-DTWKUNHWSA-N 1 0 173.325 2.474 10 0 AEAERO CCC[C@@H]1CSC[C@H](C)C[NH2+]1 85339133 574038357 /nfs/dbraw/zinc/03/83/57/574038357.db2.gz IUNZTPLISALPHO-RKDXNWHRSA-N 1 0 173.325 2.128 10 0 AEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CSC1 85338675 574038400 /nfs/dbraw/zinc/03/84/00/574038400.db2.gz IMNRDHLFUVPCCN-DTWKUNHWSA-N 1 0 187.352 2.374 10 0 AEAERO CNc1cccc(NC2CCCC2)[nH+]1 87807222 574038422 /nfs/dbraw/zinc/03/84/22/574038422.db2.gz JTJQBHDIGIUPQW-UHFFFAOYSA-N 1 0 191.278 2.478 10 0 AEAERO C[C@H]1C[NH2+][C@H](C2CCCC2)SC1 85337326 574038473 /nfs/dbraw/zinc/03/84/73/574038473.db2.gz MNEOFXJGLSTDIO-WPRPVWTQSA-N 1 0 185.336 2.475 10 0 AEAERO CNc1cccc(NC(C)(C)C)[nH+]1 87801766 574038521 /nfs/dbraw/zinc/03/85/21/574038521.db2.gz AAMJNZWNGJVHGM-UHFFFAOYSA-N 1 0 179.267 2.334 10 0 AEAERO CCNc1cc(NC(C)C)nc(C)[nH+]1 87806726 574038535 /nfs/dbraw/zinc/03/85/35/574038535.db2.gz KFIAFLURIGHISB-UHFFFAOYSA-N 1 0 194.282 2.037 10 0 AEAERO CCC(=[NH2+])NC[C@]1(C)CCCS1 87797629 574038556 /nfs/dbraw/zinc/03/85/56/574038556.db2.gz OWHRBRBQICVHJY-VIFPVBQESA-N 1 0 186.324 2.249 10 0 AEAERO CCCC[C@H]1[NH2+]C[C@@H](C)CS1 85337367 574038575 /nfs/dbraw/zinc/03/85/75/574038575.db2.gz CSQDMUTZOUFZOQ-BDAKNGLRSA-N 1 0 173.325 2.475 10 0 AEAERO CNc1cccc(N2CCCCC2)[nH+]1 87806216 574038588 /nfs/dbraw/zinc/03/85/88/574038588.db2.gz QJQVZKIVCLUPFU-UHFFFAOYSA-N 1 0 191.278 2.114 10 0 AEAERO CC(C)C[C@@H]1[NH2+]C[C@@H](C)CS1 85337787 574038633 /nfs/dbraw/zinc/03/86/33/574038633.db2.gz JWWJMBNXBZPCAA-RKDXNWHRSA-N 1 0 173.325 2.331 10 0 AEAERO CC(C)C[C@H]1[NH2+]CC[C@H](C)S1 85341918 574038646 /nfs/dbraw/zinc/03/86/46/574038646.db2.gz FJVFMGZBBZOWRU-IUCAKERBSA-N 1 0 173.325 2.474 10 0 AEAERO CC[C@@H]1[NH2+]C[C@@H](C)CS[C@@H]1C 85339262 574038658 /nfs/dbraw/zinc/03/86/58/574038658.db2.gz FRGYFEUROVXBCO-HLTSFMKQSA-N 1 0 173.325 2.126 10 0 AEAERO CCC[C@H]1CSC[C@@H](C)C[NH2+]1 85339138 574038661 /nfs/dbraw/zinc/03/86/61/574038661.db2.gz IUNZTPLISALPHO-IUCAKERBSA-N 1 0 173.325 2.128 10 0 AEAERO CC(C)C[C@H]1[NH2+]C[C@H](C)CS1 85337785 574038674 /nfs/dbraw/zinc/03/86/74/574038674.db2.gz JWWJMBNXBZPCAA-IUCAKERBSA-N 1 0 173.325 2.331 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C2CCCC2)SC1 85337324 574038688 /nfs/dbraw/zinc/03/86/88/574038688.db2.gz MNEOFXJGLSTDIO-SCZZXKLOSA-N 1 0 185.336 2.475 10 0 AEAERO CC[NH2+][C@H](CCOC)[C@@H]1CC[C@@H](C)C1 686240707 574038711 /nfs/dbraw/zinc/03/87/11/574038711.db2.gz OCURESVLHXRJOC-IJLUTSLNSA-N 1 0 199.338 2.437 10 0 AEAERO CCCNc1cccc(NC2CC2)[nH+]1 87807109 574038732 /nfs/dbraw/zinc/03/87/32/574038732.db2.gz SEDLATJDKFKUQI-UHFFFAOYSA-N 1 0 191.278 2.478 10 0 AEAERO CCC[C@@H]1[NH2+]CC[C@H](C)S1 85342064 574038746 /nfs/dbraw/zinc/03/87/46/574038746.db2.gz FEIZIYVYNOVZEG-JGVFFNPUSA-N 1 0 159.298 2.228 10 0 AEAERO CC(C)C[C@@H]1[NH2+]C[C@H](C)CS1 85337790 574038755 /nfs/dbraw/zinc/03/87/55/574038755.db2.gz JWWJMBNXBZPCAA-DTWKUNHWSA-N 1 0 173.325 2.331 10 0 AEAERO CC[NH2+][C@@H](C=C(C)C)COC1CC1 716978921 574038760 /nfs/dbraw/zinc/03/87/60/574038760.db2.gz WFKJPFVFSMOLPU-JTQLQIEISA-N 1 0 183.295 2.110 10 0 AEAERO CC[C@@H]1[NH2+]C[C@@H](C)CS[C@H]1C 85339257 574038774 /nfs/dbraw/zinc/03/87/74/574038774.db2.gz FRGYFEUROVXBCO-VGMNWLOBSA-N 1 0 173.325 2.126 10 0 AEAERO C[C@H]1C[NH2+][C@H](c2ccco2)CSC1 85339393 574038776 /nfs/dbraw/zinc/03/87/76/574038776.db2.gz YKDPUSZQBJGFPJ-IUCAKERBSA-N 1 0 197.303 2.293 10 0 AEAERO CC(C)[C@@H]1[NH2+]CC[C@@H](C)S1 85341954 574038793 /nfs/dbraw/zinc/03/87/93/574038793.db2.gz JBVVCMFESMIXDA-HTQZYQBOSA-N 1 0 159.298 2.084 10 0 AEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CSC1 85338669 574038823 /nfs/dbraw/zinc/03/88/23/574038823.db2.gz IMNRDHLFUVPCCN-IUCAKERBSA-N 1 0 187.352 2.374 10 0 AEAERO C[NH2+][C@@H](OC)c1cc(C)c(C)cc1C 259293830 574038829 /nfs/dbraw/zinc/03/88/29/574038829.db2.gz QBOAUQWMEBJRMR-LBPRGKRZSA-N 1 0 193.290 2.476 10 0 AEAERO 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CC[C@H](C)[C@@H]1[NH2+]CC[C@H](C)S1 85342587 574041601 /nfs/dbraw/zinc/04/16/01/574041601.db2.gz PZLFUQQYJUVJFK-XHNCKOQMSA-N 1 0 173.325 2.474 10 0 AEAERO CCN(c1cccc(NC)[nH+]1)C1CC1 87808829 574041655 /nfs/dbraw/zinc/04/16/55/574041655.db2.gz IPZHSCLFXZRRKO-UHFFFAOYSA-N 1 0 191.278 2.112 10 0 AEAERO CC[C@@H]1CS[C@H](c2ccoc2)N1 85347102 574041732 /nfs/dbraw/zinc/04/17/32/574041732.db2.gz BGWYTKIILKPLOW-RKDXNWHRSA-N 1 0 183.276 2.393 10 0 AEAERO Cc1ccccc1N[C@H](C)CC[NH3+] 259297244 574041740 /nfs/dbraw/zinc/04/17/40/574041740.db2.gz PKCHWUQEZYVGJA-SNVBAGLBSA-N 1 0 178.279 2.144 10 0 AEAERO CC[C@@H]1[NH2+][C@H](CC)CS[C@H]1C 85347959 574041756 /nfs/dbraw/zinc/04/17/56/574041756.db2.gz KLDYIGLNOHSCCM-YIZRAAEISA-N 1 0 173.325 2.269 10 0 AEAERO CCC[C@H]1CSC[C@H](CC)[NH2+]1 85347837 574041804 /nfs/dbraw/zinc/04/18/04/574041804.db2.gz FOTNQHVOXFQEEW-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO CC[C@H](C)[C@@H]1[NH2+][C@H](CC)CS1 85347419 574041893 /nfs/dbraw/zinc/04/18/93/574041893.db2.gz 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259295889 574042051 /nfs/dbraw/zinc/04/20/51/574042051.db2.gz BEHNFPMOMZPVKF-SNVBAGLBSA-N 1 0 190.290 2.044 10 0 AEAERO CC[C@H]([NH3+])CSC/C=C/Cl 85349171 574042057 /nfs/dbraw/zinc/04/20/57/574042057.db2.gz FFOQBIMXIDYSLR-SDLBARTOSA-N 1 0 179.716 2.209 10 0 AEAERO c1ccc2c(c1)C[C@H]2[NH2+]Cc1cc[nH]c1 308831063 574042066 /nfs/dbraw/zinc/04/20/66/574042066.db2.gz AMFUWOOZISAQKA-CYBMUJFWSA-N 1 0 198.269 2.402 10 0 AEAERO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)S1 85342263 574042090 /nfs/dbraw/zinc/04/20/90/574042090.db2.gz RKISCBRSTFONDY-JGVFFNPUSA-N 1 0 173.325 2.474 10 0 AEAERO C[C@@H]1CC[NH2+][C@@H]2CCC[C@@H]2S1 85343002 574042103 /nfs/dbraw/zinc/04/21/03/574042103.db2.gz MYINLYQKJPUFHS-HLTSFMKQSA-N 1 0 171.309 2.023 10 0 AEAERO CCC[C@H]1[NH2+][C@@H](CC)CS1 85347153 574042105 /nfs/dbraw/zinc/04/21/05/574042105.db2.gz XIZSYCBWNLUXIY-YUMQZZPRSA-N 1 0 159.298 2.228 10 0 AEAERO CC[C@H]1CS[C@@H](c2ccco2)N1 85347045 574042132 /nfs/dbraw/zinc/04/21/32/574042132.db2.gz NXGDFVFLXVPUTK-CBAPKCEASA-N 1 0 183.276 2.393 10 0 AEAERO CC[C@@H]1CS[C@@H](c2ccccn2)N1 85347272 574042153 /nfs/dbraw/zinc/04/21/53/574042153.db2.gz KVJGEKWFQQRECM-SCZZXKLOSA-N 1 0 194.303 2.195 10 0 AEAERO CC[C@H]1CS[C@H](C(C)(C)C)[NH2+]1 85347251 574042190 /nfs/dbraw/zinc/04/21/90/574042190.db2.gz XIXIHQGJZQDSSP-JGVFFNPUSA-N 1 0 173.325 2.474 10 0 AEAERO C[C@@H](CC[NH3+])SC/C=C/Cl 85345995 574042201 /nfs/dbraw/zinc/04/22/01/574042201.db2.gz HNWIIJWBHCQUCJ-XBBYQOBLSA-N 1 0 179.716 2.209 10 0 AEAERO CC1(C)C[C@H](CO)C[N@@H+]1C1CCCC1 259297114 574042203 /nfs/dbraw/zinc/04/22/03/574042203.db2.gz HJGWGJZRRPMWOK-JTQLQIEISA-N 1 0 197.322 2.022 10 0 AEAERO CC[C@@H]1[NH2+]C(C)(C)CS[C@@H]1C 85349950 574043917 /nfs/dbraw/zinc/04/39/17/574043917.db2.gz DKHLQFRVTADAGL-SFYZADRCSA-N 1 0 173.325 2.269 10 0 AEAERO CC(C)=CCSCC(C)(C)[NH3+] 85350895 574043237 /nfs/dbraw/zinc/04/32/37/574043237.db2.gz CIPCMCSULFGHNC-UHFFFAOYSA-N 1 0 173.325 2.423 10 0 AEAERO CC1(C)CS[C@H]2CCCC[C@@H]2[NH2+]1 85349974 574043262 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CC[C@H]1[NH2+]C(C)(C)CS[C@H]1C 85349947 574043386 /nfs/dbraw/zinc/04/33/86/574043386.db2.gz DKHLQFRVTADAGL-JGVFFNPUSA-N 1 0 173.325 2.269 10 0 AEAERO CC1(C)CS[C@H](c2cccnc2)[NH2+]1 85349744 574043406 /nfs/dbraw/zinc/04/34/06/574043406.db2.gz KEKHQWWFBFSUKT-SECBINFHSA-N 1 0 194.303 2.195 10 0 AEAERO CCNc1cccc(N[C@@H]2C[C@H]2C)[nH+]1 87827344 574043407 /nfs/dbraw/zinc/04/34/07/574043407.db2.gz ZLCJIDUGOGJGFA-RKDXNWHRSA-N 1 0 191.278 2.334 10 0 AEAERO CC[C@H](C)[C@H]1[NH2+]C(C)(C)CS1 85349822 574043443 /nfs/dbraw/zinc/04/34/43/574043443.db2.gz MXACZZZPANYLAD-YUMQZZPRSA-N 1 0 173.325 2.474 10 0 AEAERO CC1([C@@H]2CC[C@](C)(CC[NH3+])O2)CCC1 686134027 574043477 /nfs/dbraw/zinc/04/34/77/574043477.db2.gz UIWAVXGXUIKDQL-CMPLNLGQSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@@H]([NH3+])Cc1ncc(Cl)s1 85352074 574043509 /nfs/dbraw/zinc/04/35/09/574043509.db2.gz VGVORSJHRCKEKW-RXMQYKEDSA-N 1 0 190.699 2.076 10 0 AEAERO CCNc1cccc(NC2CCC2)[nH+]1 87827071 574043534 /nfs/dbraw/zinc/04/35/34/574043534.db2.gz FMZLBPNYGSHLCQ-UHFFFAOYSA-N 1 0 191.278 2.478 10 0 AEAERO CCCCSCC(C)(C)[NH3+] 85350402 574043544 /nfs/dbraw/zinc/04/35/44/574043544.db2.gz DEGHNICKDJHIOM-UHFFFAOYSA-N 1 0 161.314 2.257 10 0 AEAERO CNc1cccc(N[C@H](C)C2CC2)[nH+]1 87811933 574043550 /nfs/dbraw/zinc/04/35/50/574043550.db2.gz NIHHEQYEFPTPMZ-MRVPVSSYSA-N 1 0 191.278 2.334 10 0 AEAERO C[NH2+][C@@H](CCSC)c1ccncc1 259296860 574043592 /nfs/dbraw/zinc/04/35/92/574043592.db2.gz WPVITDZIXSNIJT-JTQLQIEISA-N 1 0 196.319 2.095 10 0 AEAERO CC1([C@@H]2CC[C@@](C)(CC[NH3+])O2)CCC1 686134028 574043624 /nfs/dbraw/zinc/04/36/24/574043624.db2.gz UIWAVXGXUIKDQL-JQWIXIFHSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@@H](C)[C@@H]1[NH2+]C(C)(C)CS1 85349819 574043656 /nfs/dbraw/zinc/04/36/56/574043656.db2.gz MXACZZZPANYLAD-HTQZYQBOSA-N 1 0 173.325 2.474 10 0 AEAERO CSCC[C@H]1[NH2+]C(C)(C)CS1 85349748 574043705 /nfs/dbraw/zinc/04/37/05/574043705.db2.gz WOQVFKHBFXIMOS-ZETCQYMHSA-N 1 0 191.365 2.181 10 0 AEAERO C[C@H]1SCC(C)(C)[NH2+][C@@H]1C1CC1 85350049 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767203106 /nfs/dbraw/zinc/20/31/06/767203106.db2.gz UTPRMDUXDCGHPT-LLVKDONJSA-N 1 0 197.322 2.070 10 0 AEAERO CCC[C@H](O)C[NH2+]C1(CC2CC2)CC1 1252808638 767204231 /nfs/dbraw/zinc/20/42/31/767204231.db2.gz UTPRMDUXDCGHPT-NSHDSACASA-N 1 0 197.322 2.070 10 0 AEAERO C[C@H]1CC[C@@H]2[C@H](C)C[N@@H+](C)C[C@@H]12 4098471 560195713 /nfs/dbraw/zinc/19/57/13/560195713.db2.gz HGTMGCDIPYGVKA-ZDCRXTMVSA-N 1 0 167.296 2.230 10 0 biogenic,in-vitro AEAERO C[C@H]1CCC[C@H]2CCCC[N@H+]12 5376157 560201496 /nfs/dbraw/zinc/20/14/96/560201496.db2.gz NVAZQVKYKZTHQP-VHSXEESVSA-N 1 0 153.269 2.413 10 0 in-vitro AEAERO C[C@@H]1CCC[C@@H]2CCCC[N@@H+]21 5369581 560201516 /nfs/dbraw/zinc/20/15/16/560201516.db2.gz NVAZQVKYKZTHQP-ZJUUUORDSA-N 1 0 153.269 2.413 10 0 in-vitro AEAERO C[C@H]1CCC[C@@H]2CCCC[N@H+]12 5376216 560201541 /nfs/dbraw/zinc/20/15/41/560201541.db2.gz NVAZQVKYKZTHQP-UWVGGRQHSA-N 1 0 153.269 2.413 10 0 in-vitro AEAERO C[C@@H]1CCC[C@H]2CCCC[N@H+]12 5369540 560201545 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2.466 10 0 AEAERO CCC(CC)[N@H+](C)C1CC1 21369172 1169060143 /nfs/dbraw/zinc/06/01/43/1169060143.db2.gz GEDXXWDAIABYAR-UHFFFAOYSA-N 1 0 141.258 2.269 10 0 AEAERO CCC[C@@H](C)[N@H+](C)C1CC1 21399732 1169060297 /nfs/dbraw/zinc/06/02/97/1169060297.db2.gz OOOKJPIOQLUTHK-MRVPVSSYSA-N 1 0 141.258 2.269 10 0 AEAERO CCCCCCO[C@H]1CCC[NH2+]C1 20519825 1169060858 /nfs/dbraw/zinc/06/08/58/1169060858.db2.gz XZUFYZCSLXYPIG-NSHDSACASA-N 1 0 185.311 2.335 10 0 AEAERO CCC[C@H](C)[N@H+](C)C1CC1 21399736 1169061444 /nfs/dbraw/zinc/06/14/44/1169061444.db2.gz OOOKJPIOQLUTHK-QMMMGPOBSA-N 1 0 141.258 2.269 10 0 AEAERO CCCCCCO[C@@H]1CCC[NH2+]C1 20519824 1169061727 /nfs/dbraw/zinc/06/17/27/1169061727.db2.gz XZUFYZCSLXYPIG-LLVKDONJSA-N 1 0 185.311 2.335 10 0 AEAERO C[C@@H](C[NH+](C)C)Nc1ccccc1 33647149 1169064817 /nfs/dbraw/zinc/06/48/17/1169064817.db2.gz VGOGEFMMQCRANG-JTQLQIEISA-N 1 0 178.279 2.049 10 0 AEAERO C[N@H+]1CC=C(c2ccsc2)CC1 28261241 1169065441 /nfs/dbraw/zinc/06/54/41/1169065441.db2.gz 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/nfs/dbraw/zinc/06/87/78/1169068778.db2.gz KWLPQJGMKNLTSR-UHFFFAOYSA-N 1 0 193.290 2.326 10 0 AEAERO C[NH+](C)C1CCc2ccccc2CC1 33829533 1169069353 /nfs/dbraw/zinc/06/93/53/1169069353.db2.gz KCNTVWUREVQILW-UHFFFAOYSA-N 1 0 189.302 2.496 10 0 AEAERO C[C@H]1C[NH+](C2CCCCC2)C[C@H](C)O1 34325112 1169069853 /nfs/dbraw/zinc/06/98/53/1169069853.db2.gz VPLBSYNYQBEUGO-QWRGUYRKSA-N 1 0 197.322 2.428 10 0 AEAERO COc1ccc(CC[NH+](C)C)cc1C 33882379 1169070476 /nfs/dbraw/zinc/07/04/76/1169070476.db2.gz FNWVODZYQWVHHP-UHFFFAOYSA-N 1 0 193.290 2.108 10 0 AEAERO C[C@H]1Cc2ccccc2C=[NH+]1 34513881 1169071830 /nfs/dbraw/zinc/07/18/30/1169071830.db2.gz JATHXJMZMGXQFU-QMMMGPOBSA-N 1 0 145.205 2.050 10 0 AEAERO CCCCC[C@H](C)[NH+]1CCOCC1 36404556 1169073405 /nfs/dbraw/zinc/07/34/05/1169073405.db2.gz NKXCMWIVSOTHOV-NSHDSACASA-N 1 0 185.311 2.287 10 0 AEAERO CC[NH2+][C@H](C)Cc1ccccc1OC 37184592 1169073471 /nfs/dbraw/zinc/07/34/71/1169073471.db2.gz BQCBZRLRSYDWAC-SNVBAGLBSA-N 1 0 193.290 2.236 10 0 AEAERO Cc1ccc(C[NH+](C)C)cc1C 35954031 1169073483 /nfs/dbraw/zinc/07/34/83/1169073483.db2.gz AXPRNDHSLLEZDZ-UHFFFAOYSA-N 1 0 163.264 2.365 10 0 AEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](C)O)CC(C)(C)C1 35112404 1169073537 /nfs/dbraw/zinc/07/35/37/1169073537.db2.gz DCFQQLDFIVRPPI-MXWKQRLJSA-N 1 0 199.338 2.172 10 0 AEAERO CCCCC[C@@H](C)[NH+]1CCOCC1 36404555 1169073661 /nfs/dbraw/zinc/07/36/61/1169073661.db2.gz NKXCMWIVSOTHOV-LLVKDONJSA-N 1 0 185.311 2.287 10 0 AEAERO CCCCC[N@H+](C)[C@@H]1CCCC[C@@H]1N 37165686 1169073721 /nfs/dbraw/zinc/07/37/21/1169073721.db2.gz LIJNCCNADWAPNT-NWDGAFQWSA-N 1 0 198.354 2.378 10 0 AEAERO CCCCCN(C)C[C@H]1CCCC[NH2+]1 37171863 1169073970 /nfs/dbraw/zinc/07/39/70/1169073970.db2.gz UTPOSTPAJQGXQQ-GFCCVEGCSA-N 1 0 198.354 2.251 10 0 AEAERO CC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C 37167629 1169074690 /nfs/dbraw/zinc/07/46/90/1169074690.db2.gz BPYYVMWAIUSUDC-RKDXNWHRSA-N 1 0 195.310 2.178 10 0 AEAERO CCCCCN(C)C[C@@H]1CCCC[NH2+]1 37171862 1169074714 /nfs/dbraw/zinc/07/47/14/1169074714.db2.gz UTPOSTPAJQGXQQ-LBPRGKRZSA-N 1 0 198.354 2.251 10 0 AEAERO C[N@H+](C1CCCCCC1)C(C)(C)CN 36328356 1169074789 /nfs/dbraw/zinc/07/47/89/1169074789.db2.gz NJZDAEJIZIQSJX-UHFFFAOYSA-N 1 0 198.354 2.378 10 0 AEAERO CC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C 37167630 1169074853 /nfs/dbraw/zinc/07/48/53/1169074853.db2.gz BPYYVMWAIUSUDC-DTWKUNHWSA-N 1 0 195.310 2.178 10 0 AEAERO CC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C 37167628 1169074914 /nfs/dbraw/zinc/07/49/14/1169074914.db2.gz BPYYVMWAIUSUDC-IUCAKERBSA-N 1 0 195.310 2.178 10 0 AEAERO CCCCC[N@H+](C)[C@H]1CCCC[C@@H]1N 37165688 1169075731 /nfs/dbraw/zinc/07/57/31/1169075731.db2.gz LIJNCCNADWAPNT-RYUDHWBXSA-N 1 0 198.354 2.378 10 0 AEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C)O)CC(C)(C)C1 35112408 1169075861 /nfs/dbraw/zinc/07/58/61/1169075861.db2.gz DCFQQLDFIVRPPI-GMTAPVOTSA-N 1 0 199.338 2.172 10 0 AEAERO CC[NH2+][C@@H](C)Cc1ccccc1OC 37184591 1169075887 /nfs/dbraw/zinc/07/58/87/1169075887.db2.gz BQCBZRLRSYDWAC-JTQLQIEISA-N 1 0 193.290 2.236 10 0 AEAERO CCC[C@H](CO)[NH2+]C1CCCCC1 38111405 1169077114 /nfs/dbraw/zinc/07/71/14/1169077114.db2.gz JYQJEVSUEJAENT-LLVKDONJSA-N 1 0 185.311 2.070 10 0 AEAERO CC[C@@H](C)C[C@@H](CC)[NH+]1CCNCC1 38086602 1169077912 /nfs/dbraw/zinc/07/79/12/1169077912.db2.gz VYRVEHBUVTTXTH-VXGBXAGGSA-N 1 0 198.354 2.106 10 0 AEAERO CCC(CC)[NH2+]Cc1ccnc(C)n1 38037399 1169077948 /nfs/dbraw/zinc/07/79/48/1169077948.db2.gz VHMMOADEPROUCV-UHFFFAOYSA-N 1 0 193.294 2.063 10 0 AEAERO CC[C@H](C)C[C@H](CC)[NH+]1CCNCC1 38086605 1169078818 /nfs/dbraw/zinc/07/88/18/1169078818.db2.gz VYRVEHBUVTTXTH-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@@H](CO)[NH2+]C1CCCCCC1 38122567 1169078961 /nfs/dbraw/zinc/07/89/61/1169078961.db2.gz ZHCMRPCHNQYNNF-LBPRGKRZSA-N 1 0 199.338 2.460 10 0 AEAERO CC[C@@H](C[C@H](C)CC)[NH+]1CCNCC1 38086604 1169079360 /nfs/dbraw/zinc/07/93/60/1169079360.db2.gz VYRVEHBUVTTXTH-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@H](CO)[NH2+]C1CCCCCC1 38122568 1169079484 /nfs/dbraw/zinc/07/94/84/1169079484.db2.gz ZHCMRPCHNQYNNF-GFCCVEGCSA-N 1 0 199.338 2.460 10 0 AEAERO CCC[C@@H](CO)[NH2+]C1CCCCC1 38111404 1169081019 /nfs/dbraw/zinc/08/10/19/1169081019.db2.gz JYQJEVSUEJAENT-NSHDSACASA-N 1 0 185.311 2.070 10 0 AEAERO C[N@H+](Cc1ncccc1O)C(C)(C)C 38338913 1169083978 /nfs/dbraw/zinc/08/39/78/1169083978.db2.gz SQSYIRQYNIKTNQ-UHFFFAOYSA-N 1 0 194.278 2.018 10 0 AEAERO C1CCC([NH+]2CCCC2)C1 39224313 1169084619 /nfs/dbraw/zinc/08/46/19/1169084619.db2.gz XLSWEOGDHPRDKA-UHFFFAOYSA-N 1 0 139.242 2.025 10 0 AEAERO CCC(CC)N(C)[C@H]1CCCC[NH2+]C1 54135078 1169094089 /nfs/dbraw/zinc/09/40/89/1169094089.db2.gz BTJMUNLZXARHAZ-LBPRGKRZSA-N 1 0 198.354 2.249 10 0 AEAERO Cc1ccc(C[NH+](C)C)c(C)c1 39310557 1169087167 /nfs/dbraw/zinc/08/71/67/1169087167.db2.gz SDEYZVJILHHGEF-UHFFFAOYSA-N 1 0 163.264 2.365 10 0 AEAERO CCCCN(C)CC[NH+](CC)CC 41203640 1169088944 /nfs/dbraw/zinc/08/89/44/1169088944.db2.gz HQUJKSSHYBEWOZ-UHFFFAOYSA-N 1 0 186.343 2.060 10 0 AEAERO 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CO[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C[C@H]1C 930636315 674055336 /nfs/dbraw/zinc/05/53/36/674055336.db2.gz FNSHTDVEGDLFAW-JFGNBEQYSA-N 1 0 197.322 2.142 10 0 AEAERO C1=C[C@H]([NH2+]Cc2ccoc2)CCC1 165896005 1169274146 /nfs/dbraw/zinc/27/41/46/1169274146.db2.gz RXPJPCSFJKHRAI-NSHDSACASA-N 1 0 177.247 2.478 10 0 AEAERO CC(C)CCC[N@H+]1C[C@@H](N)C[C@@H](C)C1 165552002 1169274595 /nfs/dbraw/zinc/27/45/95/1169274595.db2.gz FHGDXJGKZIZGOC-NEPJUHHUSA-N 1 0 198.354 2.092 10 0 AEAERO CCCC(CCC)[NH2+][C@@H]1CCC[C@@H]1O 165347759 1169274817 /nfs/dbraw/zinc/27/48/17/1169274817.db2.gz GDPHEXRQRAMQFR-NEPJUHHUSA-N 1 0 199.338 2.458 10 0 AEAERO [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 165776353 1169275305 /nfs/dbraw/zinc/27/53/05/1169275305.db2.gz WPHMAFXLKAGEKZ-NEPJUHHUSA-N 1 0 196.338 2.179 10 0 AEAERO CC(C)CCC[N@@H+]1C[C@H](C)C[C@@H](N)C1 165552274 1169275532 /nfs/dbraw/zinc/27/55/32/1169275532.db2.gz FHGDXJGKZIZGOC-VXGBXAGGSA-N 1 0 198.354 2.092 10 0 AEAERO CCN(CCCC(C)C)[C@H]1CC[NH2+]C1 165542286 1169276015 /nfs/dbraw/zinc/27/60/15/1169276015.db2.gz PUJFURLCANPBCC-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO CSCC[NH2+]C1(C2CC2)CCC1 717892272 674057147 /nfs/dbraw/zinc/05/71/47/674057147.db2.gz FAZRQOXWWWIRLI-UHFFFAOYSA-N 1 0 185.336 2.272 10 0 AEAERO c1cc(C[NH2+]C2(C3CC3)CCC2)no1 717904566 674057189 /nfs/dbraw/zinc/05/71/89/674057189.db2.gz QBDJFGLRPWQETC-UHFFFAOYSA-N 1 0 192.262 2.097 10 0 AEAERO CC(C)CCC[N@@H+]1C[C@@H](C)C[C@@H](N)C1 165552399 1169276125 /nfs/dbraw/zinc/27/61/25/1169276125.db2.gz FHGDXJGKZIZGOC-NWDGAFQWSA-N 1 0 198.354 2.092 10 0 AEAERO FCCC[NH2+]C1(C2CC2)CCC1 717892786 674057259 /nfs/dbraw/zinc/05/72/59/674057259.db2.gz ISNZWHJTUIMASR-UHFFFAOYSA-N 1 0 171.259 2.268 10 0 AEAERO CO[C@@H](C)[C@@H](C)[NH2+]C1CCC=CCC1 718049254 674057523 /nfs/dbraw/zinc/05/75/23/674057523.db2.gz VXXQDZTZMCVVSJ-MNOVXSKESA-N 1 0 197.322 2.498 10 0 AEAERO COC1CC([NH2+]C2CCC=CCC2)C1 718047635 674057532 /nfs/dbraw/zinc/05/75/32/674057532.db2.gz IUTTUIKCNULTAH-UHFFFAOYSA-N 1 0 195.306 2.252 10 0 AEAERO Cc1coc(C[NH2+]C[C@H]2C[C@H]2C)c1 718070828 674057535 /nfs/dbraw/zinc/05/75/35/674057535.db2.gz QYMYYZRRESLDGV-NXEZZACHSA-N 1 0 179.263 2.334 10 0 AEAERO Cc1coc(C[NH2+][C@H]2CC2(C)C)c1 718070775 674057537 /nfs/dbraw/zinc/05/75/37/674057537.db2.gz PMKCOOFESRJBBF-JTQLQIEISA-N 1 0 179.263 2.476 10 0 AEAERO Cc1coc(C[NH2+]CC2CCC2)c1 718069087 674057562 /nfs/dbraw/zinc/05/75/62/674057562.db2.gz BAOHWBBSCAGADA-UHFFFAOYSA-N 1 0 179.263 2.478 10 0 AEAERO CO[C@H](C)[C@@H](C)[NH2+]C1CCC=CCC1 718049250 674057575 /nfs/dbraw/zinc/05/75/75/674057575.db2.gz VXXQDZTZMCVVSJ-GHMZBOCLSA-N 1 0 197.322 2.498 10 0 AEAERO CC(C)CCC[NH+]1[C@H](C)CNC[C@H]1C 165542982 1169276596 /nfs/dbraw/zinc/27/65/96/1169276596.db2.gz JRJDTHLTFOMAKC-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO C1=CCCC([NH2+]C2CCOCC2)CC1 718047662 674057745 /nfs/dbraw/zinc/05/77/45/674057745.db2.gz JSZNCANFUMBWFH-UHFFFAOYSA-N 1 0 195.306 2.254 10 0 AEAERO CC(C)CCC[NH2+][C@@H](CO)C(C)C 165272185 1169276697 /nfs/dbraw/zinc/27/66/97/1169276697.db2.gz ZQXARAMTHPCHSE-NSHDSACASA-N 1 0 187.327 2.029 10 0 AEAERO C[C@@H]1OCC[C@H]1[NH2+]C1CCC=CCC1 718049376 674057829 /nfs/dbraw/zinc/05/78/29/674057829.db2.gz WXEBCALFDVHSOU-CMPLNLGQSA-N 1 0 195.306 2.252 10 0 AEAERO C[C@H]1COC[C@@H]1[NH2+]C1CCC=CCC1 718039534 674057834 /nfs/dbraw/zinc/05/78/34/674057834.db2.gz KQBOGWDHHLWOHH-JQWIXIFHSA-N 1 0 195.306 2.110 10 0 AEAERO C1=CCCC([NH2+][C@@H]2CCCOC2)CC1 718048085 674057839 /nfs/dbraw/zinc/05/78/39/674057839.db2.gz NCARJYWNMAPVBI-GFCCVEGCSA-N 1 0 195.306 2.254 10 0 AEAERO CC[C@@H](COC)[NH2+]C1CCC=CCC1 718049624 674058012 /nfs/dbraw/zinc/05/80/12/674058012.db2.gz ZRJDOVUPYUQGBD-NSHDSACASA-N 1 0 197.322 2.500 10 0 AEAERO C/C=C/C[NH2+]Cc1cc(C)co1 718035429 674058016 /nfs/dbraw/zinc/05/80/16/674058016.db2.gz KMQKDHBWTKUBTN-ONEGZZNKSA-N 1 0 165.236 2.254 10 0 AEAERO C[C@@H]1C[C@H]([NH2+]C2CCC=CCC2)CO1 718020767 674058024 /nfs/dbraw/zinc/05/80/24/674058024.db2.gz WTDCSCBKGKCXQN-PWSUYJOCSA-N 1 0 195.306 2.252 10 0 AEAERO Cc1coc(C[NH2+]C2CC=CC2)c1 718069894 674058044 /nfs/dbraw/zinc/05/80/44/674058044.db2.gz HXDLXHTYWUFKMU-UHFFFAOYSA-N 1 0 177.247 2.396 10 0 AEAERO C[C@H]1OCC[C@H]1[NH2+]C1CCC=CCC1 718049385 674058047 /nfs/dbraw/zinc/05/80/47/674058047.db2.gz WXEBCALFDVHSOU-ZYHUDNBSSA-N 1 0 195.306 2.252 10 0 AEAERO CSCC[NH2+]Cc1cc(C)co1 718070247 674058051 /nfs/dbraw/zinc/05/80/51/674058051.db2.gz LDLFNYXRGFAPOE-UHFFFAOYSA-N 1 0 185.292 2.041 10 0 AEAERO C[C@H]1COC[C@H]1[NH2+]C1CCC=CCC1 718039532 674058063 /nfs/dbraw/zinc/05/80/63/674058063.db2.gz KQBOGWDHHLWOHH-CMPLNLGQSA-N 1 0 195.306 2.110 10 0 AEAERO C[C@H]1C[C@H]([NH2+]C2CCC=CCC2)CO1 718020765 674058080 /nfs/dbraw/zinc/05/80/80/674058080.db2.gz WTDCSCBKGKCXQN-JQWIXIFHSA-N 1 0 195.306 2.252 10 0 AEAERO COC[C@@H](C)C[NH2+]C1CCC=CCC1 718049353 674058095 /nfs/dbraw/zinc/05/80/95/674058095.db2.gz WSESHLBQPNXSBP-NSHDSACASA-N 1 0 197.322 2.357 10 0 AEAERO CC[C@H](C)[NH2+]Cc1cc(C)co1 718070474 674058101 /nfs/dbraw/zinc/05/81/01/674058101.db2.gz MTUWNDKTCYMLBT-VIFPVBQESA-N 1 0 167.252 2.476 10 0 AEAERO CCOC[C@@H](C)[NH2+]C1CCC=CCC1 718049445 674058105 /nfs/dbraw/zinc/05/81/05/674058105.db2.gz YAJLBLCMJDNLRC-LLVKDONJSA-N 1 0 197.322 2.500 10 0 AEAERO Cc1coc(C[NH2+]C2CC(C)C2)c1 718071388 674058109 /nfs/dbraw/zinc/05/81/09/674058109.db2.gz VDYVBLLCMCIUMX-UHFFFAOYSA-N 1 0 179.263 2.476 10 0 AEAERO CO[C@@H](C)[C@H](C)[NH2+]C1CCC=CCC1 718049260 674058117 /nfs/dbraw/zinc/05/81/17/674058117.db2.gz VXXQDZTZMCVVSJ-QWRGUYRKSA-N 1 0 197.322 2.498 10 0 AEAERO Cc1coc(C[NH2+]CCC2CC2)c1 718070207 674058120 /nfs/dbraw/zinc/05/81/20/674058120.db2.gz JOZIESYNPCOZAR-UHFFFAOYSA-N 1 0 179.263 2.478 10 0 AEAERO CC(C)CCCC[NH2+][C@@]12COC[C@@H]1C2 717985710 674058124 /nfs/dbraw/zinc/05/81/24/674058124.db2.gz GFAYHPKTPYGNJS-RYUDHWBXSA-N 1 0 197.322 2.191 10 0 AEAERO Cc1coc(C[NH2+][C@@H]2C=CCC2)c1 718044212 674058127 /nfs/dbraw/zinc/05/81/27/674058127.db2.gz LTTWGUUIJCBCBX-SNVBAGLBSA-N 1 0 177.247 2.396 10 0 AEAERO Cc1coc(C[NH2+][C@@H](C)C2CC2)c1 718072106 674058130 /nfs/dbraw/zinc/05/81/30/674058130.db2.gz ZWAMHFHGLNSIRK-VIFPVBQESA-N 1 0 179.263 2.476 10 0 AEAERO C[C@H]1C[C@@H]([NH2+]C2CCC=CCC2)CO1 718020764 674058131 /nfs/dbraw/zinc/05/81/31/674058131.db2.gz WTDCSCBKGKCXQN-CMPLNLGQSA-N 1 0 195.306 2.252 10 0 AEAERO C1=CCCC([NH2+]C2CSC2)CC1 718016364 674058132 /nfs/dbraw/zinc/05/81/32/674058132.db2.gz AVXPOGKZKOVYLR-UHFFFAOYSA-N 1 0 183.320 2.190 10 0 AEAERO CC[C@H](COC)[NH2+]C1CCC=CCC1 718049623 674058133 /nfs/dbraw/zinc/05/81/33/674058133.db2.gz ZRJDOVUPYUQGBD-LLVKDONJSA-N 1 0 197.322 2.500 10 0 AEAERO COCC[C@H](C)[NH2+]C1CCC=CCC1 718048902 674058143 /nfs/dbraw/zinc/05/81/43/674058143.db2.gz VWIQWXYHKAGGQJ-NSHDSACASA-N 1 0 197.322 2.500 10 0 AEAERO C[C@@H]1C[C@@H]([NH2+]C2CCC=CCC2)CO1 718020768 674058148 /nfs/dbraw/zinc/05/81/48/674058148.db2.gz WTDCSCBKGKCXQN-ZYHUDNBSSA-N 1 0 195.306 2.252 10 0 AEAERO Cc1coc(C[NH2+]C[C@@H]2C[C@@H]2C)c1 718070830 674058149 /nfs/dbraw/zinc/05/81/49/674058149.db2.gz QYMYYZRRESLDGV-UWVGGRQHSA-N 1 0 179.263 2.334 10 0 AEAERO Cc1coc(C[NH2+]CC2CSC2)c1 718028973 674058153 /nfs/dbraw/zinc/05/81/53/674058153.db2.gz DTVBWJPIXBZIRZ-UHFFFAOYSA-N 1 0 197.303 2.041 10 0 AEAERO Cc1coc(C[NH2+]CC2(C)CC2)c1 718069827 674058164 /nfs/dbraw/zinc/05/81/64/674058164.db2.gz FJERKBWILXPSJJ-UHFFFAOYSA-N 1 0 179.263 2.478 10 0 AEAERO Cc1coc(C[NH2+]CC2CC2)c1 718070902 674058178 /nfs/dbraw/zinc/05/81/78/674058178.db2.gz SAHAKGKKHAUWRK-UHFFFAOYSA-N 1 0 165.236 2.088 10 0 AEAERO C/C=C\C[NH2+]Cc1cc(C)co1 718035428 674058200 /nfs/dbraw/zinc/05/82/00/674058200.db2.gz KMQKDHBWTKUBTN-ARJAWSKDSA-N 1 0 165.236 2.254 10 0 AEAERO Cc1coc(C[NH2+][C@@H]2C[C@@H]2C)c1 718069833 674058202 /nfs/dbraw/zinc/05/82/02/674058202.db2.gz FOUGRRQPGHKUPA-WCBMZHEXSA-N 1 0 165.236 2.086 10 0 AEAERO C[C@@H]1COC[C@H]1[NH2+]C1CCC=CCC1 718039537 674058210 /nfs/dbraw/zinc/05/82/10/674058210.db2.gz KQBOGWDHHLWOHH-ZYHUDNBSSA-N 1 0 195.306 2.110 10 0 AEAERO COCC[C@@H](C)[NH2+]C1CCC=CCC1 718048899 674058211 /nfs/dbraw/zinc/05/82/11/674058211.db2.gz VWIQWXYHKAGGQJ-LLVKDONJSA-N 1 0 197.322 2.500 10 0 AEAERO C1=CCCC([NH2+]Cc2ccon2)CC1 718032602 674058220 /nfs/dbraw/zinc/05/82/20/674058220.db2.gz DUSRNJYRXJXQIJ-UHFFFAOYSA-N 1 0 192.262 2.263 10 0 AEAERO C[C@@H]1COC[C@@H]1[NH2+]C1CCC=CCC1 718039536 674058222 /nfs/dbraw/zinc/05/82/22/674058222.db2.gz KQBOGWDHHLWOHH-PWSUYJOCSA-N 1 0 195.306 2.110 10 0 AEAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CCC=CCC1 718049380 674058242 /nfs/dbraw/zinc/05/82/42/674058242.db2.gz WXEBCALFDVHSOU-JQWIXIFHSA-N 1 0 195.306 2.252 10 0 AEAERO CO[C@H](C)[C@H](C)[NH2+]C1CCC=CCC1 718049265 674058247 /nfs/dbraw/zinc/05/82/47/674058247.db2.gz VXXQDZTZMCVVSJ-WDEREUQCSA-N 1 0 197.322 2.498 10 0 AEAERO Cc1coc(C[NH2+][C@H]2C=CCC2)c1 718044211 674058248 /nfs/dbraw/zinc/05/82/48/674058248.db2.gz LTTWGUUIJCBCBX-JTQLQIEISA-N 1 0 177.247 2.396 10 0 AEAERO C1=CCCC([NH2+][C@H]2CCCOC2)CC1 718048088 674058261 /nfs/dbraw/zinc/05/82/61/674058261.db2.gz NCARJYWNMAPVBI-LBPRGKRZSA-N 1 0 195.306 2.254 10 0 AEAERO Cc1coc(C[NH2+][C@H]2C[C@@H]2C)c1 718069834 674058293 /nfs/dbraw/zinc/05/82/93/674058293.db2.gz FOUGRRQPGHKUPA-WPRPVWTQSA-N 1 0 165.236 2.086 10 0 AEAERO Cc1coc(C[NH2+][C@@H]2C[C@H]2C)c1 718029027 674058266 /nfs/dbraw/zinc/05/82/66/674058266.db2.gz FOUGRRQPGHKUPA-PSASIEDQSA-N 1 0 165.236 2.086 10 0 AEAERO COC[C@H](C)C[NH2+]C1CCC=CCC1 718049348 674058270 /nfs/dbraw/zinc/05/82/70/674058270.db2.gz WSESHLBQPNXSBP-LLVKDONJSA-N 1 0 197.322 2.357 10 0 AEAERO CC[C@@H](C)[NH2+]Cc1cc(C)co1 718070473 674058272 /nfs/dbraw/zinc/05/82/72/674058272.db2.gz MTUWNDKTCYMLBT-SECBINFHSA-N 1 0 167.252 2.476 10 0 AEAERO Cc1coc(C[NH2+][C@H](C)C2CC2)c1 718072103 674058276 /nfs/dbraw/zinc/05/82/76/674058276.db2.gz ZWAMHFHGLNSIRK-SECBINFHSA-N 1 0 179.263 2.476 10 0 AEAERO CCCC[NH2+]Cc1cc(C)co1 718070250 674058303 /nfs/dbraw/zinc/05/83/03/674058303.db2.gz LHCUUHWMNHIIEB-UHFFFAOYSA-N 1 0 167.252 2.478 10 0 AEAERO Cc1coc(C[NH2+][C@H]2C[C@H]2C)c1 718069832 674058306 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MILDIAWSDRRIFS-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H]1CCN(C)[C@@H]1C 719576696 674065189 /nfs/dbraw/zinc/06/51/89/674065189.db2.gz AQCMQFQBZDBWRY-QJPTWQEYSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)C(C)(C)C 719585099 674065194 /nfs/dbraw/zinc/06/51/94/674065194.db2.gz SZLMATYMHQTQND-VWYCJHECSA-N 1 0 198.354 2.103 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H]1CCN(C)[C@H]1C 719576697 674065201 /nfs/dbraw/zinc/06/52/01/674065201.db2.gz AQCMQFQBZDBWRY-SDDRHHMPSA-N 1 0 198.354 2.105 10 0 AEAERO CC(C)CCC[NH2+][C@H]1CCN(C)[C@@H]1C 719573113 674065214 /nfs/dbraw/zinc/06/52/14/674065214.db2.gz WQWBNJYLVRDKCP-NEPJUHHUSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H]1[C@H]([NH2+][C@H](C)C(C)(C)C)CCN1C 719585091 674065247 /nfs/dbraw/zinc/06/52/47/674065247.db2.gz SZLMATYMHQTQND-GMTAPVOTSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@@H]1[C@@H]([NH2+][C@H](C)C(C)(C)C)CCN1C 719585094 674065248 /nfs/dbraw/zinc/06/52/48/674065248.db2.gz SZLMATYMHQTQND-MXWKQRLJSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@H]1[C@H]([NH2+]C2CCCCC2)CCN1C 719580410 674065272 /nfs/dbraw/zinc/06/52/72/674065272.db2.gz JJRXWDIANYPLGG-CMPLNLGQSA-N 1 0 196.338 2.001 10 0 AEAERO CCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1C 719582413 674065278 /nfs/dbraw/zinc/06/52/78/674065278.db2.gz NRPRLNLNURDGTD-QJPTWQEYSA-N 1 0 198.354 2.247 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C 719582163 674065285 /nfs/dbraw/zinc/06/52/85/674065285.db2.gz MMBNVYSTCGAZBC-TUAOUCFPSA-N 1 0 198.354 2.103 10 0 AEAERO CC(C)CCC[NH2+][C@H]1CCN(C)[C@H]1C 719573120 674065294 /nfs/dbraw/zinc/06/52/94/674065294.db2.gz WQWBNJYLVRDKCP-RYUDHWBXSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CCN(C)[C@H]1C 719576699 674065416 /nfs/dbraw/zinc/06/54/16/674065416.db2.gz AQCMQFQBZDBWRY-SRVKXCTJSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CCN(C)[C@@H]1C 719576700 674065470 /nfs/dbraw/zinc/06/54/70/674065470.db2.gz AQCMQFQBZDBWRY-TUAOUCFPSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C 719583248 674065570 /nfs/dbraw/zinc/06/55/70/674065570.db2.gz OWZZXFLIFRZRHO-YFKTTZPYSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)C(C)(C)C 719585096 674065577 /nfs/dbraw/zinc/06/55/77/674065577.db2.gz SZLMATYMHQTQND-OUAUKWLOSA-N 1 0 198.354 2.103 10 0 AEAERO CCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1C 719582438 674065583 /nfs/dbraw/zinc/06/55/83/674065583.db2.gz NRPRLNLNURDGTD-SRVKXCTJSA-N 1 0 198.354 2.247 10 0 AEAERO CCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C 719582441 674065648 /nfs/dbraw/zinc/06/56/48/674065648.db2.gz NRPRLNLNURDGTD-TUAOUCFPSA-N 1 0 198.354 2.247 10 0 AEAERO C[C@@H]1[C@@H]([NH2+]C2CCCCC2)CCN1C 719580413 674065655 /nfs/dbraw/zinc/06/56/55/674065655.db2.gz JJRXWDIANYPLGG-PWSUYJOCSA-N 1 0 196.338 2.001 10 0 AEAERO CCC[C@H](CC)[NH2+][C@@H]1CCN(C)[C@@H]1C 719581320 674065659 /nfs/dbraw/zinc/06/56/59/674065659.db2.gz KWZYSCWSWSDFSM-GRYCIOLGSA-N 1 0 198.354 2.247 10 0 AEAERO CC(C)CCC[NH2+][C@@H]1CCN(C)[C@@H]1C 719573126 674065661 /nfs/dbraw/zinc/06/56/61/674065661.db2.gz WQWBNJYLVRDKCP-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@H](CC)[NH2+][C@H]1CCN(C)[C@H]1C 719581324 674065685 /nfs/dbraw/zinc/06/56/85/674065685.db2.gz KWZYSCWSWSDFSM-SRVKXCTJSA-N 1 0 198.354 2.247 10 0 AEAERO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)C(C)C 719583206 674065707 /nfs/dbraw/zinc/06/57/07/674065707.db2.gz OSDHMDAAAYGUQW-SDDRHHMPSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C 719582141 674065708 /nfs/dbraw/zinc/06/57/08/674065708.db2.gz MILDIAWSDRRIFS-WDEREUQCSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(CC)C[NH2+][C@H]1CCN(C)[C@@H]1C 719585137 674065718 /nfs/dbraw/zinc/06/57/18/674065718.db2.gz UAMZPRROHZBMRN-PWSUYJOCSA-N 1 0 198.354 2.105 10 0 AEAERO CC(C)CCC[NH2+][C@@H]1CCN(C)[C@H]1C 719573117 674065720 /nfs/dbraw/zinc/06/57/20/674065720.db2.gz WQWBNJYLVRDKCP-NWDGAFQWSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(CC)C[NH2+][C@@H]1CCN(C)[C@@H]1C 719585138 674065724 /nfs/dbraw/zinc/06/57/24/674065724.db2.gz UAMZPRROHZBMRN-ZYHUDNBSSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(CC)C[NH2+][C@@H]1CCN(C)[C@H]1C 719585134 674065738 /nfs/dbraw/zinc/06/57/38/674065738.db2.gz UAMZPRROHZBMRN-CMPLNLGQSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C 719582138 674065739 /nfs/dbraw/zinc/06/57/39/674065739.db2.gz MILDIAWSDRRIFS-GHMZBOCLSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)C(C)C 719583203 674065748 /nfs/dbraw/zinc/06/57/48/674065748.db2.gz OSDHMDAAAYGUQW-GRYCIOLGSA-N 1 0 198.354 2.103 10 0 AEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1C 719583245 674065754 /nfs/dbraw/zinc/06/57/54/674065754.db2.gz OWZZXFLIFRZRHO-NNYUYHANSA-N 1 0 198.354 2.103 10 0 AEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1C 719583241 674065765 /nfs/dbraw/zinc/06/57/65/674065765.db2.gz OWZZXFLIFRZRHO-FIQHERPVSA-N 1 0 198.354 2.103 10 0 AEAERO CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)C(C)C 719583209 674065772 /nfs/dbraw/zinc/06/57/72/674065772.db2.gz OSDHMDAAAYGUQW-SRVKXCTJSA-N 1 0 198.354 2.103 10 0 AEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1C 719583238 674065777 /nfs/dbraw/zinc/06/57/77/674065777.db2.gz OWZZXFLIFRZRHO-BJDJZHNGSA-N 1 0 198.354 2.103 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1C 719582149 674065779 /nfs/dbraw/zinc/06/57/79/674065779.db2.gz MMBNVYSTCGAZBC-SDDRHHMPSA-N 1 0 198.354 2.103 10 0 AEAERO c1cc(CC[NH+]2CCCCC2)sn1 719819979 674066082 /nfs/dbraw/zinc/06/60/82/674066082.db2.gz WSBYXQHKCJSLRE-UHFFFAOYSA-N 1 0 196.319 2.172 10 0 AEAERO C[C@H]([NH2+]CCOCC1CC1)C1(C)CC1 167469318 1169285009 /nfs/dbraw/zinc/28/50/09/1169285009.db2.gz RERUROOSRSYVFK-JTQLQIEISA-N 1 0 197.322 2.191 10 0 AEAERO CCC(CC)[NH2+]C[C@H](O)C(C)(C)C 167644881 1169285123 /nfs/dbraw/zinc/28/51/23/1169285123.db2.gz WITKYDDBZOXVLX-JTQLQIEISA-N 1 0 187.327 2.172 10 0 AEAERO CC[NH+](CC)CCc1ccns1 719819486 674066551 /nfs/dbraw/zinc/06/65/51/674066551.db2.gz QFYRXBWQWBMPRP-UHFFFAOYSA-N 1 0 184.308 2.027 10 0 AEAERO c1cc(C[NH2+]CCCCC2CC2)no1 720138933 674066692 /nfs/dbraw/zinc/06/66/92/674066692.db2.gz UONPWVMJKCSTKP-UHFFFAOYSA-N 1 0 194.278 2.345 10 0 AEAERO C1=C[C@@H](OC[C@@H]2CCC[NH2+]C2)CCC1 167774377 1169285750 /nfs/dbraw/zinc/28/57/50/1169285750.db2.gz PPZVUSJWVLLREB-VXGBXAGGSA-N 1 0 195.306 2.111 10 0 AEAERO COC(C)(C)[C@@H](C)[NH2+]C/C=C/Cl 720252419 674067127 /nfs/dbraw/zinc/06/71/27/674067127.db2.gz ZIRMPSYTKZKBLX-HQZHTGGTSA-N 1 0 191.702 2.142 10 0 AEAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1C=CCCC1 720237622 674067138 /nfs/dbraw/zinc/06/71/38/674067138.db2.gz DPWJXOCWKUMPGR-WDEREUQCSA-N 1 0 197.322 2.498 10 0 AEAERO COC(C)(C)[C@H](C)[NH2+][C@H]1C=CCCC1 720237620 674067178 /nfs/dbraw/zinc/06/71/78/674067178.db2.gz DPWJXOCWKUMPGR-QWRGUYRKSA-N 1 0 197.322 2.498 10 0 AEAERO COC(C)(C)[C@@H](C)[NH2+][C@@H]1C=CCCC1 720237616 674067182 /nfs/dbraw/zinc/06/71/82/674067182.db2.gz DPWJXOCWKUMPGR-GHMZBOCLSA-N 1 0 197.322 2.498 10 0 AEAERO COC(C)(C)[C@H](C)[NH2+]C/C=C\Cl 720252422 674067245 /nfs/dbraw/zinc/06/72/45/674067245.db2.gz ZIRMPSYTKZKBLX-SLGIHZDVSA-N 1 0 191.702 2.142 10 0 AEAERO COC(C)(C)[C@@H](C)[NH2+]C/C=C\Cl 720252421 674067282 /nfs/dbraw/zinc/06/72/82/674067282.db2.gz ZIRMPSYTKZKBLX-RPSMYOMKSA-N 1 0 191.702 2.142 10 0 AEAERO C1=C[C@H](OC[C@H]2CCC[NH2+]C2)CCC1 167774485 1169286177 /nfs/dbraw/zinc/28/61/77/1169286177.db2.gz PPZVUSJWVLLREB-RYUDHWBXSA-N 1 0 195.306 2.111 10 0 AEAERO COC(C)(C)[C@H](C)[NH2+]C/C=C/Cl 720252417 674067318 /nfs/dbraw/zinc/06/73/18/674067318.db2.gz ZIRMPSYTKZKBLX-GJIOHYHPSA-N 1 0 191.702 2.142 10 0 AEAERO COC(C)(C)[C@@H](C)[NH2+][C@H]1C=CCCC1 720237618 674067332 /nfs/dbraw/zinc/06/73/32/674067332.db2.gz DPWJXOCWKUMPGR-MNOVXSKESA-N 1 0 197.322 2.498 10 0 AEAERO CC[C@H]([NH2+]Cc1nocc1C)C1CC1 720345925 674067466 /nfs/dbraw/zinc/06/74/66/674067466.db2.gz UOPVJIRVDBGBNB-JTQLQIEISA-N 1 0 194.278 2.261 10 0 AEAERO C[C@@H]([NH2+]CCOCC1CC1)C1(C)CC1 167469420 1169286387 /nfs/dbraw/zinc/28/63/87/1169286387.db2.gz RERUROOSRSYVFK-SNVBAGLBSA-N 1 0 197.322 2.191 10 0 AEAERO CCC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C 167636874 1169286586 /nfs/dbraw/zinc/28/65/86/1169286586.db2.gz LEPGLNWJJZCVDV-VHSXEESVSA-N 1 0 187.327 2.172 10 0 AEAERO CC1(C)C([NH2+]Cc2ccon2)C1(C)C 720345160 674067831 /nfs/dbraw/zinc/06/78/31/674067831.db2.gz OGSJJSAQFYCVME-UHFFFAOYSA-N 1 0 194.278 2.199 10 0 AEAERO CC[C@@H]([NH2+]Cc1nocc1C)C1CC1 720345926 674067859 /nfs/dbraw/zinc/06/78/59/674067859.db2.gz UOPVJIRVDBGBNB-SNVBAGLBSA-N 1 0 194.278 2.261 10 0 AEAERO C1=C[C@@H](OC[C@H]2CCC[NH2+]C2)CCC1 167774589 1169287043 /nfs/dbraw/zinc/28/70/43/1169287043.db2.gz PPZVUSJWVLLREB-NWDGAFQWSA-N 1 0 195.306 2.111 10 0 AEAERO Cc1conc1C[NH2+][C@H]1CCC1(C)C 720353223 674068144 /nfs/dbraw/zinc/06/81/44/674068144.db2.gz SPLPIMFTHPALCB-JTQLQIEISA-N 1 0 194.278 2.261 10 0 AEAERO Cc1conc1C[NH2+][C@@H]1CCC[C@@H]1C 720351768 674068217 /nfs/dbraw/zinc/06/82/17/674068217.db2.gz NOLQFVJOQHOSSV-WCBMZHEXSA-N 1 0 194.278 2.261 10 0 AEAERO Cc1conc1C[NH2+][C@H]1CCC[C@@H]1C 720351771 674068229 /nfs/dbraw/zinc/06/82/29/674068229.db2.gz NOLQFVJOQHOSSV-WPRPVWTQSA-N 1 0 194.278 2.261 10 0 AEAERO Cc1conc1C[NH2+][C@@H]1CCC[C@H]1C 720351759 674068270 /nfs/dbraw/zinc/06/82/70/674068270.db2.gz NOLQFVJOQHOSSV-PSASIEDQSA-N 1 0 194.278 2.261 10 0 AEAERO Cc1conc1C[NH2+][C@@H]1CCC1(C)C 720353226 674068319 /nfs/dbraw/zinc/06/83/19/674068319.db2.gz SPLPIMFTHPALCB-SNVBAGLBSA-N 1 0 194.278 2.261 10 0 AEAERO Cc1conc1C[NH+]1CCCCCC1 720353319 674068326 /nfs/dbraw/zinc/06/83/26/674068326.db2.gz SXBLYHIQNOSEQY-UHFFFAOYSA-N 1 0 194.278 2.359 10 0 AEAERO Cc1conc1C[NH2+][C@H]1CCC[C@H]1C 720351764 674068328 /nfs/dbraw/zinc/06/83/28/674068328.db2.gz NOLQFVJOQHOSSV-SCZZXKLOSA-N 1 0 194.278 2.261 10 0 AEAERO CCC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C 167636667 1169287356 /nfs/dbraw/zinc/28/73/56/1169287356.db2.gz LEPGLNWJJZCVDV-UWVGGRQHSA-N 1 0 187.327 2.172 10 0 AEAERO Cc1conc1C[NH2+]C1(C(C)C)CC1 720372538 674068605 /nfs/dbraw/zinc/06/86/05/674068605.db2.gz 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0 198.354 2.236 10 0 AEAERO CC[C@H]1CC[C@H]([NH2+]CCN(C)CC)C1 70762542 571753077 /nfs/dbraw/zinc/75/30/77/571753077.db2.gz JPWFGNGSQQQDMQ-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@@H]1CC[C@](CN)([NH+](CC)CC)C1 70763261 571753162 /nfs/dbraw/zinc/75/31/62/571753162.db2.gz YOPMCYNDIJPXQI-NEPJUHHUSA-N 1 0 198.354 2.236 10 0 AEAERO C[C@H]1CC[C@](O)([C@@H]2CCCCC[NH2+]2)C1 70765133 571753192 /nfs/dbraw/zinc/75/31/92/571753192.db2.gz HXJABZNVDAGOCK-SDDRHHMPSA-N 1 0 197.322 2.070 10 0 AEAERO CC[C@H]1CC[C@@](CN)([NH+](CC)CC)C1 70763259 571753261 /nfs/dbraw/zinc/75/32/61/571753261.db2.gz YOPMCYNDIJPXQI-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CC[C@H]1CC[C@@H]([C@@H]2CC[NH2+]C2)C1 70767410 571753296 /nfs/dbraw/zinc/75/32/96/571753296.db2.gz HQJQSKPKZVXDIV-HBNTYKKESA-N 1 0 167.296 2.422 10 0 AEAERO [NH3+][C@H]1CCSCC[C@H]1C1CCC1 214428151 571754595 /nfs/dbraw/zinc/75/45/95/571754595.db2.gz TYJBJSPUGSDHHB-UWVGGRQHSA-N 1 0 185.336 2.257 10 0 AEAERO CC(C)C[N@H+](C)[C@]1(CN)CC[C@@H](C)C1 70763426 571753359 /nfs/dbraw/zinc/75/33/59/571753359.db2.gz XAFSWSPCGSSZMP-VXGBXAGGSA-N 1 0 198.354 2.092 10 0 AEAERO CC[C@@H]1CC[C@@](CN)([NH+](CC)CC)C1 70763257 571753437 /nfs/dbraw/zinc/75/34/37/571753437.db2.gz YOPMCYNDIJPXQI-VXGBXAGGSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@H](C)O[C@H](C[NH2+]C)C(C)C 687799023 571753446 /nfs/dbraw/zinc/75/34/46/571753446.db2.gz CBLYZEULVMTDJK-WDEREUQCSA-N 1 0 187.327 2.436 10 0 AEAERO CC(C)C[N@H+](C)[C@@]1(CN)CC[C@@H](C)C1 70763428 571753521 /nfs/dbraw/zinc/75/35/21/571753521.db2.gz XAFSWSPCGSSZMP-NEPJUHHUSA-N 1 0 198.354 2.092 10 0 AEAERO CC[C@@H]1CC[C@@H]([NH2+]CCN(C)CC)C1 70762544 571753616 /nfs/dbraw/zinc/75/36/16/571753616.db2.gz JPWFGNGSQQQDMQ-VXGBXAGGSA-N 1 0 198.354 2.106 10 0 AEAERO COCC[NH2+]C[C@H]1C[C@]12CC[C@@H](C)C2 70767141 571753626 /nfs/dbraw/zinc/75/36/26/571753626.db2.gz XWGLZENHFJIEPT-IJLUTSLNSA-N 1 0 197.322 2.049 10 0 AEAERO CC[C@@H]1CC[C@H]([NH2+]CCN(C)CC)C1 70762541 571753647 /nfs/dbraw/zinc/75/36/47/571753647.db2.gz JPWFGNGSQQQDMQ-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO [NH3+][C@H]1CCSC[C@H]1CC1CCC1 214429639 571753663 /nfs/dbraw/zinc/75/36/63/571753663.db2.gz CJUIUXXLZNWXGR-ZJUUUORDSA-N 1 0 185.336 2.257 10 0 AEAERO CCCC[N@H+](C)[C@]1(CN)CC[C@H](C)C1 70763370 571753675 /nfs/dbraw/zinc/75/36/75/571753675.db2.gz QMXCWZNDYYJPAQ-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CC[C@H]1CC[C@@](O)([C@@H]2CCCC[NH2+]2)C1 70765413 571753680 /nfs/dbraw/zinc/75/36/80/571753680.db2.gz ZGBVDGHJJJGEJJ-SRVKXCTJSA-N 1 0 197.322 2.070 10 0 AEAERO CCCCCC[C@@H](O)[C@@H]1CCCC[NH2+]1 38392243 571753705 /nfs/dbraw/zinc/75/37/05/571753705.db2.gz RBIGELACOIAFHD-NWDGAFQWSA-N 1 0 199.338 2.460 10 0 AEAERO [NH3+][C@@H]1CCSC[C@@H]1CC1CCC1 214429791 571754611 /nfs/dbraw/zinc/75/46/11/571754611.db2.gz CJUIUXXLZNWXGR-VHSXEESVSA-N 1 0 185.336 2.257 10 0 AEAERO [NH3+]C[C@@H]1CSC[C@H]1C1CCCC1 214429013 571754612 /nfs/dbraw/zinc/75/46/12/571754612.db2.gz HSPGUHCSZBJBEL-ZJUUUORDSA-N 1 0 185.336 2.115 10 0 AEAERO COCC[NH2+]C[C@H]1C[C@@]12CC[C@@H](C)C2 70767149 571753759 /nfs/dbraw/zinc/75/37/59/571753759.db2.gz XWGLZENHFJIEPT-UTUOFQBUSA-N 1 0 197.322 2.049 10 0 AEAERO [NH3+]C[C@@H]1CSCC[C@@H]1C1CCC1 214428566 571753817 /nfs/dbraw/zinc/75/38/17/571753817.db2.gz LJUGLDCUSVDYDR-NXEZZACHSA-N 1 0 185.336 2.115 10 0 AEAERO C[N@H+](CCC1CC1)Cc1ccc[nH]1 687799030 571753824 /nfs/dbraw/zinc/75/38/24/571753824.db2.gz MPFZACLSIQBXCH-UHFFFAOYSA-N 1 0 178.279 2.247 10 0 AEAERO CCC[N@H+](C)[C@@]1(CN)CC[C@H](CC)C1 70763421 571753902 /nfs/dbraw/zinc/75/39/02/571753902.db2.gz JTLJAJOVQMBRQN-RYUDHWBXSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[N@H+](C)[C@]1(CN)CC[C@H](CC)C1 70763420 571754012 /nfs/dbraw/zinc/75/40/12/571754012.db2.gz JTLJAJOVQMBRQN-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO COc1cc(C)c(Cl)c(C[NH3+])c1 214434784 571754041 /nfs/dbraw/zinc/75/40/41/571754041.db2.gz NISAZWMTSNRPHB-UHFFFAOYSA-N 1 0 185.654 2.116 10 0 AEAERO CCC[C@@H](C)O[C@H](C[NH2+]C)C(C)C 687799020 571754068 /nfs/dbraw/zinc/75/40/68/571754068.db2.gz CBLYZEULVMTDJK-GHMZBOCLSA-N 1 0 187.327 2.436 10 0 AEAERO [NH3+]C[C@@H]1CCSCC[C@H]1C1CC1 214428015 571754085 /nfs/dbraw/zinc/75/40/85/571754085.db2.gz VALHMRNYJQLXAZ-UWVGGRQHSA-N 1 0 185.336 2.115 10 0 AEAERO C[NH2+][C@]1(C(F)F)C[C@@H]2CCCC[C@H]21 712413784 571755050 /nfs/dbraw/zinc/75/50/50/571755050.db2.gz HFUCMQMNNVXIBG-QXFUBDJGSA-N 1 0 189.249 2.420 10 0 AEAERO [NH3+]C[C@H]1CCSC[C@@H]1C1CCC1 214428697 571754140 /nfs/dbraw/zinc/75/41/40/571754140.db2.gz WKRBNFHTHPTJNV-NXEZZACHSA-N 1 0 185.336 2.115 10 0 AEAERO [NH3+][C@H]1CSCC[C@@H]1CC1CCC1 214429456 571754146 /nfs/dbraw/zinc/75/41/46/571754146.db2.gz DMSAHISJNFETSJ-ZJUUUORDSA-N 1 0 185.336 2.257 10 0 AEAERO C[C@@H]1C[C@@H]1Nc1[nH+]ccn1C1CC1 235305635 571754187 /nfs/dbraw/zinc/75/41/87/571754187.db2.gz DAAYPGBZGAUUOH-APPZFPTMSA-N 1 0 177.251 2.038 10 0 AEAERO [NH3+][C@@H]1CSCC[C@@H]1CC1CCC1 214429569 571755053 /nfs/dbraw/zinc/75/50/53/571755053.db2.gz DMSAHISJNFETSJ-NXEZZACHSA-N 1 0 185.336 2.257 10 0 AEAERO C[C@H]1CC[C@@](O)([C@@H]2CCCCC[NH2+]2)C1 70765138 571754200 /nfs/dbraw/zinc/75/42/00/571754200.db2.gz HXJABZNVDAGOCK-SRVKXCTJSA-N 1 0 197.322 2.070 10 0 AEAERO CC[N@H+](C(C)C)[C@]1(CN)CC[C@H](C)C1 70763396 571754218 /nfs/dbraw/zinc/75/42/18/571754218.db2.gz VSMQRRBGPQRQOX-NWDGAFQWSA-N 1 0 198.354 2.234 10 0 AEAERO C[NH2+][C@]1(C(F)F)C[C@H]2CCCC[C@@H]21 712413763 571754239 /nfs/dbraw/zinc/75/42/39/571754239.db2.gz HFUCMQMNNVXIBG-KHQFGBGNSA-N 1 0 189.249 2.420 10 0 AEAERO CCCCCC[C@H](O)[C@H]1CCCC[NH2+]1 38392244 571754621 /nfs/dbraw/zinc/75/46/21/571754621.db2.gz RBIGELACOIAFHD-NEPJUHHUSA-N 1 0 199.338 2.460 10 0 AEAERO [NH3+]C[C@H]1CCSCC[C@H]1C1CC1 214427902 571754662 /nfs/dbraw/zinc/75/46/62/571754662.db2.gz VALHMRNYJQLXAZ-ZJUUUORDSA-N 1 0 185.336 2.115 10 0 AEAERO [NH3+][C@@H]1CCSCC[C@H]1C1CCC1 214428254 571754660 /nfs/dbraw/zinc/75/46/60/571754660.db2.gz TYJBJSPUGSDHHB-VHSXEESVSA-N 1 0 185.336 2.257 10 0 AEAERO CC(C)C[C@@H]1CCOCC[C@H]1C[NH3+] 214426523 571754675 /nfs/dbraw/zinc/75/46/75/571754675.db2.gz XSGYKSYJVWVQTR-QWRGUYRKSA-N 1 0 185.311 2.034 10 0 AEAERO Cc1c(O)cc([C@@H](C)[NH3+])cc1Cl 214432915 571754732 /nfs/dbraw/zinc/75/47/32/571754732.db2.gz WGHVQVCZBYNXMN-ZCFIWIBFSA-N 1 0 185.654 2.374 10 0 AEAERO [NH3+]C[C@@H]1CCSCC[C@@H]1C1CC1 214428065 571754862 /nfs/dbraw/zinc/75/48/62/571754862.db2.gz VALHMRNYJQLXAZ-VHSXEESVSA-N 1 0 185.336 2.115 10 0 AEAERO COC(C)(C)C[NH2+][C@@]1(C)CC=CCC1 398231682 571754892 /nfs/dbraw/zinc/75/48/92/571754892.db2.gz IAYMAXLMRGLAHK-LBPRGKRZSA-N 1 0 197.322 2.500 10 0 AEAERO CC(C)C[C@H]1CCOCC[C@@H]1C[NH3+] 214426467 571754902 /nfs/dbraw/zinc/75/49/02/571754902.db2.gz XSGYKSYJVWVQTR-GHMZBOCLSA-N 1 0 185.311 2.034 10 0 AEAERO CCC1C[NH+](CCCC(C)(C)CO)C1 393429339 571758230 /nfs/dbraw/zinc/75/82/30/571758230.db2.gz AQEBISZBIOHILT-UHFFFAOYSA-N 1 0 199.338 2.127 10 0 AEAERO [NH3+]C[C@H]1CCSC[C@H]1C1CCC1 214428647 571754952 /nfs/dbraw/zinc/75/49/52/571754952.db2.gz WKRBNFHTHPTJNV-ZJUUUORDSA-N 1 0 185.336 2.115 10 0 AEAERO Cc1cc(O)cc([C@H](C)[NH3+])c1Cl 214433376 571754987 /nfs/dbraw/zinc/75/49/87/571754987.db2.gz QILLGVRPOYJKDL-LURJTMIESA-N 1 0 185.654 2.374 10 0 AEAERO [NH3+][C@H]1CCSCC[C@@H]1C1CCC1 214428206 571755037 /nfs/dbraw/zinc/75/50/37/571755037.db2.gz TYJBJSPUGSDHHB-ZJUUUORDSA-N 1 0 185.336 2.257 10 0 AEAERO [NH3+]CC1(CSC2CCCC2)CC1 214429231 571755119 /nfs/dbraw/zinc/75/51/19/571755119.db2.gz NDPQBDHUQWBQRW-UHFFFAOYSA-N 1 0 185.336 2.401 10 0 AEAERO [NH3+]C[C@@H]1CSCC[C@H]1C1CCC1 214428505 571755127 /nfs/dbraw/zinc/75/51/27/571755127.db2.gz LJUGLDCUSVDYDR-ZJUUUORDSA-N 1 0 185.336 2.115 10 0 AEAERO COc1cc(C)cc(Cl)c1C[NH3+] 214434941 571755136 /nfs/dbraw/zinc/75/51/36/571755136.db2.gz KMBPMSCTQXXXTP-UHFFFAOYSA-N 1 0 185.654 2.116 10 0 AEAERO CC(C)(C)[C@@H]1CCOCC[C@H]1C[NH3+] 214426280 571755143 /nfs/dbraw/zinc/75/51/43/571755143.db2.gz KYRPMNDUJCLGLU-VHSXEESVSA-N 1 0 185.311 2.034 10 0 AEAERO Cc1c(O)cc([C@H](C)[NH3+])cc1Cl 214432970 571755213 /nfs/dbraw/zinc/75/52/13/571755213.db2.gz WGHVQVCZBYNXMN-LURJTMIESA-N 1 0 185.654 2.374 10 0 AEAERO [NH3+]C[C@H]1CSC[C@H]1C1CCCC1 214428896 571755240 /nfs/dbraw/zinc/75/52/40/571755240.db2.gz HSPGUHCSZBJBEL-UWVGGRQHSA-N 1 0 185.336 2.115 10 0 AEAERO CC(C)(C)[C@H]1CCOCC[C@H]1C[NH3+] 214426337 571755246 /nfs/dbraw/zinc/75/52/46/571755246.db2.gz KYRPMNDUJCLGLU-UWVGGRQHSA-N 1 0 185.311 2.034 10 0 AEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)NC1CC1 70797067 571755266 /nfs/dbraw/zinc/75/52/66/571755266.db2.gz QPDHUZLFZZKBIT-LLVKDONJSA-N 1 0 198.354 2.151 10 0 AEAERO CC(C)C[C@H]1CCOCC[C@H]1C[NH3+] 214426581 571755270 /nfs/dbraw/zinc/75/52/70/571755270.db2.gz XSGYKSYJVWVQTR-MNOVXSKESA-N 1 0 185.311 2.034 10 0 AEAERO [NH3+][C@@H]1CSCC[C@H]1CC1CCC1 214429509 571755381 /nfs/dbraw/zinc/75/53/81/571755381.db2.gz DMSAHISJNFETSJ-VHSXEESVSA-N 1 0 185.336 2.257 10 0 AEAERO [NH3+][C@@H]1CCSCC[C@@H]1C1CCC1 214428315 571755385 /nfs/dbraw/zinc/75/53/85/571755385.db2.gz TYJBJSPUGSDHHB-NXEZZACHSA-N 1 0 185.336 2.257 10 0 AEAERO COc1c(C)ccc(Cl)c1C[NH3+] 214435109 571755467 /nfs/dbraw/zinc/75/54/67/571755467.db2.gz GQIZOXYHEQALHS-UHFFFAOYSA-N 1 0 185.654 2.116 10 0 AEAERO Cc1noc(C)c1C[C@H]([NH3+])CC(C)C 70797366 571755505 /nfs/dbraw/zinc/75/55/05/571755505.db2.gz LPYGVFHYRDJWGL-SNVBAGLBSA-N 1 0 196.294 2.207 10 0 AEAERO Cc1cc(O)cc([C@@H](C)[NH3+])c1Cl 214433318 571755548 /nfs/dbraw/zinc/75/55/48/571755548.db2.gz QILLGVRPOYJKDL-ZCFIWIBFSA-N 1 0 185.654 2.374 10 0 AEAERO [NH3+]C[C@@H]1CCSC[C@H]1C1CCC1 214428752 571755594 /nfs/dbraw/zinc/75/55/94/571755594.db2.gz WKRBNFHTHPTJNV-UWVGGRQHSA-N 1 0 185.336 2.115 10 0 AEAERO [NH3+][C@H]1CSCC[C@H]1CC1CCC1 214429399 571755608 /nfs/dbraw/zinc/75/56/08/571755608.db2.gz DMSAHISJNFETSJ-UWVGGRQHSA-N 1 0 185.336 2.257 10 0 AEAERO Cc1cc(C[NH3+])c(C)c(O)c1Cl 214434628 571755630 /nfs/dbraw/zinc/75/56/30/571755630.db2.gz QGZBPHUPNRWESF-UHFFFAOYSA-N 1 0 185.654 2.121 10 0 AEAERO CC(C)C[C@@H]1CCOCC[C@@H]1C[NH3+] 214426413 571755701 /nfs/dbraw/zinc/75/57/01/571755701.db2.gz XSGYKSYJVWVQTR-WDEREUQCSA-N 1 0 185.311 2.034 10 0 AEAERO [NH3+]C[C@H]1CSC[C@@H]1C1CCCC1 214428952 571755712 /nfs/dbraw/zinc/75/57/12/571755712.db2.gz HSPGUHCSZBJBEL-VHSXEESVSA-N 1 0 185.336 2.115 10 0 AEAERO [NH3+]C[C@H]1CSCC[C@@H]1C1CCC1 214428455 571755652 /nfs/dbraw/zinc/75/56/52/571755652.db2.gz LJUGLDCUSVDYDR-VHSXEESVSA-N 1 0 185.336 2.115 10 0 AEAERO [NH3+]CC1(CCSC2CCC2)CC1 214429153 571755730 /nfs/dbraw/zinc/75/57/30/571755730.db2.gz ASSJMVVOYIMWAX-UHFFFAOYSA-N 1 0 185.336 2.401 10 0 AEAERO C[NH2+][C@]1(C(F)F)C[C@H]2CCCC[C@H]21 712413769 571755780 /nfs/dbraw/zinc/75/57/80/571755780.db2.gz HFUCMQMNNVXIBG-NQMVMOMDSA-N 1 0 189.249 2.420 10 0 AEAERO CC[C@H](C[NH3+])C[C@H](C)CC 37245758 571755861 /nfs/dbraw/zinc/75/58/61/571755861.db2.gz MZGPELNRCFTGJW-BDAKNGLRSA-N 1 0 143.274 2.408 10 0 AEAERO COc1cc(C[NH3+])cc(C)c1Cl 214434701 571755884 /nfs/dbraw/zinc/75/58/84/571755884.db2.gz LJVGCRLHGCNBPN-UHFFFAOYSA-N 1 0 185.654 2.116 10 0 AEAERO C[C@@H]1[NH2+][C@@H](C)O[C@@H]1c1ccccc1 205049068 571755947 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193.294 2.106 10 0 AEAERO C[NH2+]CCc1cnc(C(C)(C)C)s1 259375165 571845205 /nfs/dbraw/zinc/84/52/05/571845205.db2.gz VURDENZBNSVEOT-UHFFFAOYSA-N 1 0 198.335 2.203 10 0 AEAERO CC[C@@H]1CCCCC[N@@H+]1C1(CN)CC1 233909958 571845247 /nfs/dbraw/zinc/84/52/47/571845247.db2.gz CTYGCPYFYJAVKX-LLVKDONJSA-N 1 0 196.338 2.132 10 0 AEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CC=C(C)C 233913407 571845413 /nfs/dbraw/zinc/84/54/13/571845413.db2.gz KTKFBCYWQPJCRB-NWDGAFQWSA-N 1 0 196.338 2.025 10 0 AEAERO CC[C@@H]1C[C@H]1Nc1cc(N)c(C)c[nH+]1 233913282 571845424 /nfs/dbraw/zinc/84/54/24/571845424.db2.gz RXOIOHPSXJUKER-PSASIEDQSA-N 1 0 191.278 2.183 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1O 233915294 571845504 /nfs/dbraw/zinc/84/55/04/571845504.db2.gz VXZHPVAAQOJIAP-WYUUTHIRSA-N 1 0 197.322 2.068 10 0 AEAERO COC[C@H]([NH2+][C@@H](C)C1(C)CC1)C(C)C 84902498 571845646 /nfs/dbraw/zinc/84/56/46/571845646.db2.gz WABDHRHFXNVLAT-QWRGUYRKSA-N 1 0 199.338 2.436 10 0 AEAERO CC[C@@H]1C[C@H]1[NH2+][C@@H]1C=CCCC1 233911615 571845933 /nfs/dbraw/zinc/84/59/33/571845933.db2.gz AUKNVDZYDLMFOJ-GMTAPVOTSA-N 1 0 165.280 2.483 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1C=CCCC1 233916173 571845966 /nfs/dbraw/zinc/84/59/66/571845966.db2.gz AUKNVDZYDLMFOJ-MXWKQRLJSA-N 1 0 165.280 2.483 10 0 AEAERO C[C@@H]1OCC[C@H]1C[NH2+]CC1CCCC1 235364278 571846086 /nfs/dbraw/zinc/84/60/86/571846086.db2.gz BDZVDEYBINOLSS-JQWIXIFHSA-N 1 0 197.322 2.191 10 0 AEAERO [NH3+]CCCCc1c(F)cccc1F 78782570 571846209 /nfs/dbraw/zinc/84/62/09/571846209.db2.gz XJJHXNQDSOGYMS-UHFFFAOYSA-N 1 0 185.217 2.246 10 0 AEAERO C[NH2+][C@H](C)CCc1cnn(C(C)C)c1 234459252 571846850 /nfs/dbraw/zinc/84/68/50/571846850.db2.gz MPINGLFMVZDTON-SNVBAGLBSA-N 1 0 195.310 2.005 10 0 AEAERO OC1(C[NH2+]CCC2CCCC2)CCC1 300717070 571846877 /nfs/dbraw/zinc/84/68/77/571846877.db2.gz LBQVNURKBAHUCS-UHFFFAOYSA-N 1 0 197.322 2.071 10 0 AEAERO CC[C@@H]1C[C@@H]1Nc1[nH+]c(C)ccc1N 233920149 571846995 /nfs/dbraw/zinc/84/69/95/571846995.db2.gz OPXCQCBCPJLKTF-SCZZXKLOSA-N 1 0 191.278 2.183 10 0 AEAERO Cc1ccc2c(CC[NH3+])c(C)[nH]c2c1 5754530 571847111 /nfs/dbraw/zinc/84/71/11/571847111.db2.gz CGGWRJCQIZHZKX-UHFFFAOYSA-N 1 0 188.274 2.286 10 0 AEAERO CCCC[C@@H]1CSCCC(N)=[NH+]1 28456619 571847157 /nfs/dbraw/zinc/84/71/57/571847157.db2.gz FGUKFZPUKNZRSR-MRVPVSSYSA-N 1 0 186.324 2.039 10 0 in-vivo AEAERO CC(C)[C@H]1[NH2+][C@@H](c2ccccc2)CO1 38363479 571847300 /nfs/dbraw/zinc/84/73/00/571847300.db2.gz VSVSVAPEZSLHAQ-NEPJUHHUSA-N 1 0 191.274 2.330 10 0 AEAERO CCC[NH2+][C@H]1CCC[C@@H]2N=CSC21 725565174 571847445 /nfs/dbraw/zinc/84/74/45/571847445.db2.gz CRKQPMAPTPNHNA-IUCAKERBSA-N 1 0 197.327 2.214 10 0 AEAERO CCC[NH2+]C(C)(C)C(C)C 38363307 571847450 /nfs/dbraw/zinc/84/74/50/571847450.db2.gz UZJZJTYIODZJOK-UHFFFAOYSA-N 1 0 143.274 2.421 10 0 AEAERO CCC[C@@H](C)COC(C)(C)C[NH3+] 84902698 571847538 /nfs/dbraw/zinc/84/75/38/571847538.db2.gz ROWSROXBDGYINH-SECBINFHSA-N 1 0 173.300 2.177 10 0 AEAERO CCC[C@H](C)COC(C)(C)C[NH3+] 84902700 571847547 /nfs/dbraw/zinc/84/75/47/571847547.db2.gz ROWSROXBDGYINH-VIFPVBQESA-N 1 0 173.300 2.177 10 0 AEAERO CC[C@@H]1C[C@H]1Nc1[nH+]cc(N)cc1C 233918133 571847563 /nfs/dbraw/zinc/84/75/63/571847563.db2.gz KMGXAUAPMGNXIP-PSASIEDQSA-N 1 0 191.278 2.183 10 0 AEAERO CC[C@@H](C)n1cnc(C[NH2+]C(C)C)c1 300718681 571847615 /nfs/dbraw/zinc/84/76/15/571847615.db2.gz ATWKYFRSBVAUCJ-SNVBAGLBSA-N 1 0 195.310 2.352 10 0 AEAERO CC(C)[C@H]([NH3+])COCc1ccccc1 28521577 571847661 /nfs/dbraw/zinc/84/76/61/571847661.db2.gz BTNSRWZJXQKKKS-GFCCVEGCSA-N 1 0 193.290 2.187 10 0 AEAERO CCC(CC)(CC)[NH2+]C 5819009 571847801 /nfs/dbraw/zinc/84/78/01/571847801.db2.gz GWIOFHOKFIEAGK-UHFFFAOYSA-N 1 0 129.247 2.175 10 0 AEAERO CCCC[C@H]1CSCCC(N)=[NH+]1 28456622 571847905 /nfs/dbraw/zinc/84/79/05/571847905.db2.gz FGUKFZPUKNZRSR-QMMMGPOBSA-N 1 0 186.324 2.039 10 0 in-vivo AEAERO Cc1cc2n(c1CCC[NH3+])CCCC2 5765281 571847922 /nfs/dbraw/zinc/84/79/22/571847922.db2.gz QSCXQARXOXYHOQ-UHFFFAOYSA-N 1 0 192.306 2.024 10 0 AEAERO C[NH2+]Cc1cn([C@@H](C)CC(C)C)cn1 300718878 571847941 /nfs/dbraw/zinc/84/79/41/571847941.db2.gz AXVXJBGOSNNQIJ-JTQLQIEISA-N 1 0 195.310 2.210 10 0 AEAERO C[NH2+]CC/C=C\c1ccccc1F 211612470 571847971 /nfs/dbraw/zinc/84/79/71/571847971.db2.gz LQBCIVADLFYWKK-DAXSKMNVSA-N 1 0 179.238 2.448 10 0 AEAERO Cc1cccc(COCCCC[NH3+])c1 28522095 571847972 /nfs/dbraw/zinc/84/79/72/571847972.db2.gz LZHKIQQCEQDKJY-UHFFFAOYSA-N 1 0 193.290 2.251 10 0 AEAERO CC[C@@H]1C[C@H]1Nc1[nH+]ccn1CC 233918592 571848120 /nfs/dbraw/zinc/84/81/20/571848120.db2.gz WZWNQNAYANDGAX-RKDXNWHRSA-N 1 0 179.267 2.113 10 0 AEAERO C[NH2+][C@H](C)[C@@H](C)CCOCC(C)C 234459660 571848458 /nfs/dbraw/zinc/84/84/58/571848458.db2.gz WNLHSNPCLIMFQO-WDEREUQCSA-N 1 0 187.327 2.293 10 0 AEAERO C[NH2+][C@H](C(C)C)[C@@H]1CCC[C@@H](OC)C1 234459899 571848650 /nfs/dbraw/zinc/84/86/50/571848650.db2.gz IVGOJLBPNWIBOK-IJLUTSLNSA-N 1 0 199.338 2.436 10 0 AEAERO CCc1nc([C@H](C)CC)ncc1C[NH3+] 300719110 571848774 /nfs/dbraw/zinc/84/87/74/571848774.db2.gz 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C[C@@H]1CCCC[C@@H]1/C=C\C[NH3+] 394798387 571938156 /nfs/dbraw/zinc/93/81/56/571938156.db2.gz RBLDEIKMQGLHJK-UFUMDNBCSA-N 1 0 153.269 2.328 10 0 AEAERO CCc1occc1[C@H]([NH3+])c1ccoc1 234287560 571938258 /nfs/dbraw/zinc/93/82/58/571938258.db2.gz WGNSXIKIQNTUDM-LLVKDONJSA-N 1 0 191.230 2.483 10 0 AEAERO C[C@@H]1CCCC[C@H]1/C=C\C[NH3+] 394798389 571938264 /nfs/dbraw/zinc/93/82/64/571938264.db2.gz RBLDEIKMQGLHJK-UPINEFLWSA-N 1 0 153.269 2.328 10 0 AEAERO Cc1ccsc1CNc1[nH]cc[nH+]1 235781682 571938433 /nfs/dbraw/zinc/93/84/33/571938433.db2.gz LHJKCKHCQIPMPD-UHFFFAOYSA-N 1 0 193.275 2.392 10 0 AEAERO CC[C@H](C)[NH+]1CC(C)(C)NC(C)(C)C1 39779860 571938443 /nfs/dbraw/zinc/93/84/43/571938443.db2.gz VQYHJGXXUXQEAV-JTQLQIEISA-N 1 0 198.354 2.247 10 0 AEAERO CC1(C)C[NH+](C(C)(C)C)CC(C)(C)N1 39779921 571938497 /nfs/dbraw/zinc/93/84/97/571938497.db2.gz SETURDKYOUSYMT-UHFFFAOYSA-N 1 0 198.354 2.247 10 0 AEAERO CCC1CCC(CCO)(C[NH2+]C)CC1 317308157 571938601 /nfs/dbraw/zinc/93/86/01/571938601.db2.gz 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300804229 571939506 /nfs/dbraw/zinc/93/95/06/571939506.db2.gz VZQXFVKQWJBYQF-GFCCVEGCSA-N 1 0 197.322 2.193 10 0 AEAERO CCCC[C@@H](C[NH2+]C)C1CCOCC1 711279862 571939729 /nfs/dbraw/zinc/93/97/29/571939729.db2.gz NLHFWLLTRWIWQW-LBPRGKRZSA-N 1 0 199.338 2.439 10 0 AEAERO [NH3+][C@@H](CCC1CCCC1)[C@H]1CCCO1 300805581 571939769 /nfs/dbraw/zinc/93/97/69/571939769.db2.gz WGPWQVGZSQXLOP-NWDGAFQWSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+]CCCOC/C=C\c1ccccc1 214630963 571939771 /nfs/dbraw/zinc/93/97/71/571939771.db2.gz JNLQJKKBKHTDKB-YWEYNIOJSA-N 1 0 191.274 2.065 10 0 AEAERO [NH3+][C@@H](CCC1CCCC1)[C@@H]1CCCO1 300805585 571940011 /nfs/dbraw/zinc/94/00/11/571940011.db2.gz WGPWQVGZSQXLOP-RYUDHWBXSA-N 1 0 197.322 2.463 10 0 AEAERO COC(C)(C)CC[C@@H]1C[NH2+]C[C@H](C)C1 234765800 571940229 /nfs/dbraw/zinc/94/02/29/571940229.db2.gz PYLFTZCZRIKGAT-MNOVXSKESA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)([NH3+])COCC1CCCCC1 70836897 571940323 /nfs/dbraw/zinc/94/03/23/571940323.db2.gz ASYQJMQUCRYAIQ-UHFFFAOYSA-N 1 0 185.311 2.321 10 0 AEAERO C[C@](O)(CC[NH3+])CCC1CCCC1 300804367 571940483 /nfs/dbraw/zinc/94/04/83/571940483.db2.gz WBUJOHPGVZSWEW-LLVKDONJSA-N 1 0 185.311 2.057 10 0 AEAERO C[C@@](O)(CC[NH3+])CCC1CCCC1 300804369 571940497 /nfs/dbraw/zinc/94/04/97/571940497.db2.gz WBUJOHPGVZSWEW-NSHDSACASA-N 1 0 185.311 2.057 10 0 AEAERO C1CCC(CCOC[C@H]2CC[NH2+]C2)C1 300804231 571940549 /nfs/dbraw/zinc/94/05/49/571940549.db2.gz VZQXFVKQWJBYQF-LBPRGKRZSA-N 1 0 197.322 2.193 10 0 AEAERO CC[NH2+][C@@H](CCCC(F)F)COC 687901999 571940603 /nfs/dbraw/zinc/94/06/03/571940603.db2.gz BQIQSDCNGFOJJK-QMMMGPOBSA-N 1 0 195.253 2.046 10 0 AEAERO C/C(=C/C(C)(C)C)C[C@@H]1COCC[NH2+]1 713134268 571940646 /nfs/dbraw/zinc/94/06/46/571940646.db2.gz POXVNMZZPCBBHS-HIJJYWJESA-N 1 0 197.322 2.357 10 0 AEAERO CNc1[nH+]c2cc(C)c(C)cc2n1C 113846604 571941172 /nfs/dbraw/zinc/94/11/72/571941172.db2.gz KIMYFUJHKUHDQQ-UHFFFAOYSA-N 1 0 189.262 2.232 10 0 AEAERO C/C(=C\C(C)(C)C)C[C@H]1COCC[NH2+]1 713134275 571940689 /nfs/dbraw/zinc/94/06/89/571940689.db2.gz POXVNMZZPCBBHS-UQSGXBNBSA-N 1 0 197.322 2.357 10 0 AEAERO Cc1ccsc1[C@@H]1CC[NH2+]C[C@H]1F 687810632 571940717 /nfs/dbraw/zinc/94/07/17/571940717.db2.gz MAGKUMUSESELJS-RKDXNWHRSA-N 1 0 199.294 2.472 10 0 AEAERO C[NH2+][C@@H]1C[C@]2(C(C)C)C[C@@H]2[C@H]1C 520857706 571941179 /nfs/dbraw/zinc/94/11/79/571941179.db2.gz QLCMUFHMBBKJQO-DBIOUOCHSA-N 1 0 167.296 2.277 10 0 AEAERO CC[NH2+][C@H](CCCC(F)F)COC 687901998 571940775 /nfs/dbraw/zinc/94/07/75/571940775.db2.gz BQIQSDCNGFOJJK-MRVPVSSYSA-N 1 0 195.253 2.046 10 0 AEAERO Cc1ccsc1[C@@H]1CC[NH2+]C[C@@H]1F 687810627 571940792 /nfs/dbraw/zinc/94/07/92/571940792.db2.gz MAGKUMUSESELJS-BDAKNGLRSA-N 1 0 199.294 2.472 10 0 AEAERO COCC[C@@](C)([NH3+])C1=CCCCC1 687684844 571940856 /nfs/dbraw/zinc/94/08/56/571940856.db2.gz UJJBZDBNASVRSO-LLVKDONJSA-N 1 0 183.295 2.241 10 0 AEAERO CC(C)(C)CC(=O)[C@@H]1CCC[C@@H]1[NH3+] 713143022 571940912 /nfs/dbraw/zinc/94/09/12/571940912.db2.gz KXJKYHRBTXCJLE-BDAKNGLRSA-N 1 0 183.295 2.119 10 0 AEAERO Cc1ccsc1[C@H]1CC[NH2+]C[C@@H]1F 687810631 571941034 /nfs/dbraw/zinc/94/10/34/571941034.db2.gz MAGKUMUSESELJS-IUCAKERBSA-N 1 0 199.294 2.472 10 0 AEAERO CC[C@@H](C)[NH+]1CC(C)(C)NC(C)(C)C1 39779858 571941042 /nfs/dbraw/zinc/94/10/42/571941042.db2.gz VQYHJGXXUXQEAV-SNVBAGLBSA-N 1 0 198.354 2.247 10 0 AEAERO CC(C)OCCCC[C@H]([NH3+])C1CC1 70638540 571941103 /nfs/dbraw/zinc/94/11/03/571941103.db2.gz QTAJAEDODSYBSK-NSHDSACASA-N 1 0 185.311 2.319 10 0 AEAERO CCc1occc1[C@H]([NH3+])C1=CCCO1 234283038 571941145 /nfs/dbraw/zinc/94/11/45/571941145.db2.gz YVQPQKDPSBESEW-NSHDSACASA-N 1 0 193.246 2.146 10 0 AEAERO CCC[N@H+](CCN)CCC1CCCC1 300805638 571941205 /nfs/dbraw/zinc/94/12/05/571941205.db2.gz WHIZFITYQLMUNZ-UHFFFAOYSA-N 1 0 198.354 2.237 10 0 AEAERO Cc1cccc(C[NH2+]C/C=C/Cl)n1 235781005 571941232 /nfs/dbraw/zinc/94/12/32/571941232.db2.gz WODYLQIZLYLTAE-ZZXKWVIFSA-N 1 0 196.681 2.232 10 0 AEAERO Cc1ccc(COCC[NH3+])c(Cl)c1 235782825 571941291 /nfs/dbraw/zinc/94/12/91/571941291.db2.gz KMOIPHOMQHMDTL-UHFFFAOYSA-N 1 0 199.681 2.124 10 0 AEAERO COC(C)(C)CC[C@@H]1CC[NH2+]C[C@H]1C 234764734 571941398 /nfs/dbraw/zinc/94/13/98/571941398.db2.gz LVXRGIXCNSNALM-GHMZBOCLSA-N 1 0 199.338 2.437 10 0 AEAERO [NH3+][C@H](CCC1CCCC1)[C@@H]1CCCO1 300805576 571941413 /nfs/dbraw/zinc/94/14/13/571941413.db2.gz WGPWQVGZSQXLOP-NEPJUHHUSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+][C@H](CCC1CCCC1)[C@H]1CCCO1 300805589 571941460 /nfs/dbraw/zinc/94/14/60/571941460.db2.gz WGPWQVGZSQXLOP-VXGBXAGGSA-N 1 0 197.322 2.463 10 0 AEAERO COC(C)(C)CC[C@@H]1C[NH2+]CC[C@@H]1C 234765349 571941533 /nfs/dbraw/zinc/94/15/33/571941533.db2.gz AXDSREUFOMQASP-WDEREUQCSA-N 1 0 199.338 2.437 10 0 AEAERO CC[C@@H]([NH3+])CCNc1ccccc1 79102002 571941607 /nfs/dbraw/zinc/94/16/07/571941607.db2.gz DOQHRGQZLGFMKV-SNVBAGLBSA-N 1 0 178.279 2.226 10 0 AEAERO COC[C@@](C)([NH3+])CC(C)(C)C(C)C 713143830 571942243 /nfs/dbraw/zinc/94/22/43/571942243.db2.gz XGILGUFODPMFOE-NSHDSACASA-N 1 0 187.327 2.423 10 0 AEAERO CC(C)=CC[NH2+][C@@H](C)c1cc[nH]n1 235515237 571942247 /nfs/dbraw/zinc/94/22/47/571942247.db2.gz VJVPLPGFHUCORH-VIFPVBQESA-N 1 0 179.267 2.027 10 0 AEAERO CC(C)(C)CC(=O)[C@H]1CCC[C@H]1[NH3+] 713143024 571941752 /nfs/dbraw/zinc/94/17/52/571941752.db2.gz KXJKYHRBTXCJLE-DTWKUNHWSA-N 1 0 183.295 2.119 10 0 AEAERO COC(C)(C)CC[C@@H]1C[NH2+]CC[C@H]1C 234765726 571941782 /nfs/dbraw/zinc/94/17/82/571941782.db2.gz AXDSREUFOMQASP-GHMZBOCLSA-N 1 0 199.338 2.437 10 0 AEAERO CCO[C@H](C)[C@H]([NH3+])CCCC(F)F 687901454 571941830 /nfs/dbraw/zinc/94/18/30/571941830.db2.gz AAYGAQSSYSYJPJ-HTQZYQBOSA-N 1 0 195.253 2.174 10 0 AEAERO CC(C)(C)CC(=O)[C@@H]1CCC[C@H]1[NH3+] 713143030 571941907 /nfs/dbraw/zinc/94/19/07/571941907.db2.gz KXJKYHRBTXCJLE-RKDXNWHRSA-N 1 0 183.295 2.119 10 0 AEAERO C/C(=C\CC[NH3+])c1ccc(C)nc1 79201803 571941973 /nfs/dbraw/zinc/94/19/73/571941973.db2.gz WLNVFGZLBCAVGD-RUDMXATFSA-N 1 0 176.263 2.142 10 0 AEAERO C[NH2+][C@H](C1CCCC1)[C@H](C)COC 69905331 571942026 /nfs/dbraw/zinc/94/20/26/571942026.db2.gz PUQDWXPQXMUMSG-KOLCDFICSA-N 1 0 185.311 2.047 10 0 AEAERO CCO[C@H](C)[C@@H]([NH3+])CCCC(F)F 687901456 571942217 /nfs/dbraw/zinc/94/22/17/571942217.db2.gz AAYGAQSSYSYJPJ-SFYZADRCSA-N 1 0 195.253 2.174 10 0 AEAERO COC[C@@H](C)[C@@H]([NH3+])c1ccsc1 69904945 571942042 /nfs/dbraw/zinc/94/20/42/571942042.db2.gz BSVXQCQHIUGLPB-VXNVDRBHSA-N 1 0 185.292 2.030 10 0 AEAERO CC[C@H]([NH3+])CCNc1ccccc1 79101997 571942076 /nfs/dbraw/zinc/94/20/76/571942076.db2.gz DOQHRGQZLGFMKV-JTQLQIEISA-N 1 0 178.279 2.226 10 0 AEAERO CO[C@H](C1CC1)[C@H]([NH3+])C1=CCCCC1 234765030 571942087 /nfs/dbraw/zinc/94/20/87/571942087.db2.gz QYIQSPGLCKXZOD-VXGBXAGGSA-N 1 0 195.306 2.239 10 0 AEAERO CC(C)(C)CCC[C@@H](O)[C@@H]1CCC[NH2+]1 300806110 571942175 /nfs/dbraw/zinc/94/21/75/571942175.db2.gz FFUHZWAXDVHPRW-WDEREUQCSA-N 1 0 199.338 2.316 10 0 AEAERO CC(C)(C)[C@@H](C[NH3+])CC[C@H]1CCOC1 400618349 571942159 /nfs/dbraw/zinc/94/21/59/571942159.db2.gz JTGVDAJEDSLBBF-WDEREUQCSA-N 1 0 199.338 2.424 10 0 AEAERO COC(C)(C)CC[C@@H]1C[NH2+]C[C@@H](C)C1 234765764 571942198 /nfs/dbraw/zinc/94/21/98/571942198.db2.gz PYLFTZCZRIKGAT-QWRGUYRKSA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)(C)CCC[C@H](O)[C@H]1CCC[NH2+]1 300806105 571942214 /nfs/dbraw/zinc/94/22/14/571942214.db2.gz FFUHZWAXDVHPRW-MNOVXSKESA-N 1 0 199.338 2.316 10 0 AEAERO CO[C@H]1CCC[C@@H]1[NH2+]CC=C(C)C 234764656 571942526 /nfs/dbraw/zinc/94/25/26/571942526.db2.gz GUHAEZJDLTXSNA-QWRGUYRKSA-N 1 0 183.295 2.110 10 0 AEAERO CCO[C@@H](C)[C@H]([NH3+])CCCC(F)F 687901455 571942327 /nfs/dbraw/zinc/94/23/27/571942327.db2.gz AAYGAQSSYSYJPJ-JGVFFNPUSA-N 1 0 195.253 2.174 10 0 AEAERO COC(C)(C)CC[C@@H]1CC[NH2+]C[C@@H]1C 234764702 571942537 /nfs/dbraw/zinc/94/25/37/571942537.db2.gz LVXRGIXCNSNALM-WDEREUQCSA-N 1 0 199.338 2.437 10 0 AEAERO CCO[C@@H](C)[C@@H]([NH3+])CCCC(F)F 687901457 571942403 /nfs/dbraw/zinc/94/24/03/571942403.db2.gz AAYGAQSSYSYJPJ-YUMQZZPRSA-N 1 0 195.253 2.174 10 0 AEAERO CC(C)(C)C[N@H+](CCCO)C1CCC1 713144391 571942470 /nfs/dbraw/zinc/94/24/70/571942470.db2.gz BDSDTERATFUZBP-UHFFFAOYSA-N 1 0 199.338 2.269 10 0 AEAERO CC(C)(C)CC(=O)[C@H]1CCC[C@@H]1[NH3+] 713143028 571942498 /nfs/dbraw/zinc/94/24/98/571942498.db2.gz KXJKYHRBTXCJLE-IUCAKERBSA-N 1 0 183.295 2.119 10 0 AEAERO CO[C@H](C1CC1)[C@@H]([NH3+])C1=CCCCC1 234761594 571942692 /nfs/dbraw/zinc/94/26/92/571942692.db2.gz QYIQSPGLCKXZOD-NWDGAFQWSA-N 1 0 195.306 2.239 10 0 AEAERO CCN(C)C[C@@H](C)[NH2+]CCC1(C)CC1 401432771 571942765 /nfs/dbraw/zinc/94/27/65/571942765.db2.gz IRQLBNQTTOEEBF-LLVKDONJSA-N 1 0 198.354 2.106 10 0 AEAERO CCC([NH3+])(CC)C1=CCCCO1 687685668 571943197 /nfs/dbraw/zinc/94/31/97/571943197.db2.gz HERUURVTYCIBBA-UHFFFAOYSA-N 1 0 169.268 2.198 10 0 AEAERO CC(C)(C)[C@H](C[NH3+])CC[C@H]1CCOC1 400618348 571943081 /nfs/dbraw/zinc/94/30/81/571943081.db2.gz JTGVDAJEDSLBBF-QWRGUYRKSA-N 1 0 199.338 2.424 10 0 AEAERO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H]1C 252748144 571943123 /nfs/dbraw/zinc/94/31/23/571943123.db2.gz SPOBWLMJQSFLIT-GRYCIOLGSA-N 1 0 199.338 2.172 10 0 AEAERO COC[C@](C)([NH3+])CC(C)(C)C(C)C 713143829 571943172 /nfs/dbraw/zinc/94/31/72/571943172.db2.gz XGILGUFODPMFOE-LLVKDONJSA-N 1 0 187.327 2.423 10 0 AEAERO CC[NH2+]C[C@@H]1CCCN1CC(C)(C)C 713143031 571943174 /nfs/dbraw/zinc/94/31/74/571943174.db2.gz TUFITSBNODTUKB-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO CC(C)(C)C[N@@H+]1CCCC[C@@H]1CCO 713145732 571943236 /nfs/dbraw/zinc/94/32/36/571943236.db2.gz MNEYYZXFDILNEM-LLVKDONJSA-N 1 0 199.338 2.269 10 0 AEAERO COCCC1(C[NH2+]CC=C(C)C)CC1 234770676 571944265 /nfs/dbraw/zinc/94/42/65/571944265.db2.gz NSBBGCDWBCAJBT-UHFFFAOYSA-N 1 0 197.322 2.359 10 0 AEAERO C[C@@]([NH3+])(Cc1cccc(O)c1)C1CC1 687686102 571943370 /nfs/dbraw/zinc/94/33/70/571943370.db2.gz IWVWHTPVOLOEDK-GFCCVEGCSA-N 1 0 191.274 2.062 10 0 AEAERO CC(C)(C)C[N@@H+]1CCCC[C@H]1CCO 713145733 571943452 /nfs/dbraw/zinc/94/34/52/571943452.db2.gz MNEYYZXFDILNEM-NSHDSACASA-N 1 0 199.338 2.269 10 0 AEAERO C[C@H]1CCC[N@H+](CCC2(O)CC2)[C@H]1C 334391176 571944603 /nfs/dbraw/zinc/94/46/03/571944603.db2.gz UTICXDXRSDFLQK-QWRGUYRKSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)[C@](O)(C[NH3+])CCC1CCCC1 300808556 571943621 /nfs/dbraw/zinc/94/36/21/571943621.db2.gz WWBNRXHYFZUBQN-GFCCVEGCSA-N 1 0 199.338 2.303 10 0 AEAERO CC[C@@H](C)[C@](C)([NH3+])c1ccnn1CC 687686019 571943622 /nfs/dbraw/zinc/94/36/22/571943622.db2.gz DPWLVPRYMHGWHE-KOLCDFICSA-N 1 0 195.310 2.123 10 0 AEAERO C[C@H](C[C@@H]([NH3+])[C@H]1CCOC1)C(C)(C)C 253049229 571943653 /nfs/dbraw/zinc/94/36/53/571943653.db2.gz SKXJBHWRYBDOOB-OUAUKWLOSA-N 1 0 199.338 2.423 10 0 AEAERO C[C@@H]1CCC[C@]([NH3+])([C@H]2CCCC[NH2+]2)C1 687686038 571943654 /nfs/dbraw/zinc/94/36/54/571943654.db2.gz FUWXYVXTHMHXQP-IJLUTSLNSA-N 1 0 196.338 2.036 10 0 AEAERO CCN(C)c1c(F)cccc1[C@@H](C)[NH3+] 233975519 571943671 /nfs/dbraw/zinc/94/36/71/571943671.db2.gz VBPTUCGGKQXEFY-MRVPVSSYSA-N 1 0 196.269 2.302 10 0 AEAERO C[C@@H]1CCC[C@@]([NH3+])([C@@H]2CCCC[NH2+]2)C1 687686042 571943696 /nfs/dbraw/zinc/94/36/96/571943696.db2.gz FUWXYVXTHMHXQP-WOPDTQHZSA-N 1 0 196.338 2.036 10 0 AEAERO CCC(C)(C)C[C@@H]1C=CC[NH2+]1 713142076 571943705 /nfs/dbraw/zinc/94/37/05/571943705.db2.gz UYHRPZGTEBTCSW-VIFPVBQESA-N 1 0 153.269 2.341 10 0 AEAERO CCCOC[C@]1([NH3+])CCCC[C@@H]1C 687686003 571943759 /nfs/dbraw/zinc/94/37/59/571943759.db2.gz BHDSQTHDCYOLNM-WDEREUQCSA-N 1 0 185.311 2.321 10 0 AEAERO CC[N@H+](C)[C@]1(CN)CC(C)(C)C[C@@H]1C 233974003 571943826 /nfs/dbraw/zinc/94/38/26/571943826.db2.gz ZEAVWFSKGBHNAW-JQWIXIFHSA-N 1 0 198.354 2.092 10 0 AEAERO CC(C)(C)C[N@@H+]1CCCCC[C@@H]1CO 713146012 571943837 /nfs/dbraw/zinc/94/38/37/571943837.db2.gz PJXDJNVZXODTJL-LLVKDONJSA-N 1 0 199.338 2.269 10 0 AEAERO CCN(C)c1c(F)cccc1[C@H](C)[NH3+] 233975580 571943916 /nfs/dbraw/zinc/94/39/16/571943916.db2.gz VBPTUCGGKQXEFY-QMMMGPOBSA-N 1 0 196.269 2.302 10 0 AEAERO CC[NH2+]CCCCC(F)F 687881376 571944297 /nfs/dbraw/zinc/94/42/97/571944297.db2.gz DBFIBICNZQQSOG-UHFFFAOYSA-N 1 0 151.200 2.031 10 0 AEAERO CC(C)(C)[C@H](C[NH3+])CC[C@@H]1CCOC1 400618347 571943974 /nfs/dbraw/zinc/94/39/74/571943974.db2.gz JTGVDAJEDSLBBF-MNOVXSKESA-N 1 0 199.338 2.424 10 0 AEAERO C[NH2+]CC1(Oc2ccc(C)cc2)CC1 300807578 571943980 /nfs/dbraw/zinc/94/39/80/571943980.db2.gz XNCJALWQYQIGQY-UHFFFAOYSA-N 1 0 191.274 2.126 10 0 AEAERO CC[C@@]([NH3+])(C1=CCCCO1)C(C)C 687685785 571944053 /nfs/dbraw/zinc/94/40/53/571944053.db2.gz NYFZLUVNWRAGCF-NSHDSACASA-N 1 0 183.295 2.444 10 0 AEAERO CCCOC[C@]1([NH3+])CCCC[C@H]1C 687686000 571944060 /nfs/dbraw/zinc/94/40/60/571944060.db2.gz BHDSQTHDCYOLNM-GHMZBOCLSA-N 1 0 185.311 2.321 10 0 AEAERO CC(C)(C)C[N@@H+]1CCCCC[C@H]1CO 713146014 571944077 /nfs/dbraw/zinc/94/40/77/571944077.db2.gz PJXDJNVZXODTJL-NSHDSACASA-N 1 0 199.338 2.269 10 0 AEAERO C[C@]([NH3+])(Cc1cccc(O)c1)C1CC1 687686103 571944139 /nfs/dbraw/zinc/94/41/39/571944139.db2.gz IWVWHTPVOLOEDK-LBPRGKRZSA-N 1 0 191.274 2.062 10 0 AEAERO CCCOC[C@@](C)([NH3+])[C@H](C)CC 687686079 571944146 /nfs/dbraw/zinc/94/41/46/571944146.db2.gz IHJJCFIRZADLJD-NXEZZACHSA-N 1 0 173.300 2.177 10 0 AEAERO CC[C@]([NH3+])(C1=CCCCO1)C(C)C 687685784 571944175 /nfs/dbraw/zinc/94/41/75/571944175.db2.gz NYFZLUVNWRAGCF-LLVKDONJSA-N 1 0 183.295 2.444 10 0 AEAERO CC[NH2+]C[C@H]1CCCN1CC(C)(C)C 713143029 571944178 /nfs/dbraw/zinc/94/41/78/571944178.db2.gz TUFITSBNODTUKB-LLVKDONJSA-N 1 0 198.354 2.106 10 0 AEAERO CCCOC[C@@](C)([NH3+])[C@@H](C)CC 687686082 571944196 /nfs/dbraw/zinc/94/41/96/571944196.db2.gz IHJJCFIRZADLJD-VHSXEESVSA-N 1 0 173.300 2.177 10 0 AEAERO CCN(C)C[C@H](C)[NH2+]CCC1(C)CC1 401432772 571944203 /nfs/dbraw/zinc/94/42/03/571944203.db2.gz IRQLBNQTTOEEBF-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO CCCOC[C@](C)([NH3+])[C@H](C)CC 687686083 571944226 /nfs/dbraw/zinc/94/42/26/571944226.db2.gz IHJJCFIRZADLJD-ZJUUUORDSA-N 1 0 173.300 2.177 10 0 AEAERO CCCOC[C@](C)([NH3+])[C@@H](C)CC 687686081 571944357 /nfs/dbraw/zinc/94/43/57/571944357.db2.gz IHJJCFIRZADLJD-UWVGGRQHSA-N 1 0 173.300 2.177 10 0 AEAERO CO[C@H]1CCCC[C@@H]1[NH2+]CC1(C)CC1 234772539 571944479 /nfs/dbraw/zinc/94/44/79/571944479.db2.gz BLFHYTDVJLGSNR-QWRGUYRKSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+]C(C)(C)C(C)(C)O)C1 335023121 571944593 /nfs/dbraw/zinc/94/45/93/571944593.db2.gz OKWXTTCJLUXDMW-ZJUUUORDSA-N 1 0 199.338 2.314 10 0 AEAERO CCC1(C[NH+]2CC(C)C2)CCOCC1 335798791 571944659 /nfs/dbraw/zinc/94/46/59/571944659.db2.gz ZFIUZPPPGSYZLV-UHFFFAOYSA-N 1 0 197.322 2.145 10 0 AEAERO CC[C@H](C)[C@@](C)([NH3+])c1ccnn1CC 687686018 571944662 /nfs/dbraw/zinc/94/46/62/571944662.db2.gz DPWLVPRYMHGWHE-GXSJLCMTSA-N 1 0 195.310 2.123 10 0 AEAERO C[N@H+](C1CCCC1)[C@H]1CCCOC1 334254821 571944688 /nfs/dbraw/zinc/94/46/88/571944688.db2.gz KXITXHQTGWCYMP-NSHDSACASA-N 1 0 183.295 2.040 10 0 AEAERO C[C@@H]1CCC[C@H](CO)[N@@H+]1C1CCCC1 335642492 571944717 /nfs/dbraw/zinc/94/47/17/571944717.db2.gz YOBMTHOPRZKGGQ-ZYHUDNBSSA-N 1 0 197.322 2.164 10 0 AEAERO [NH3+]C1(C2=CCCCO2)CCCCC1 687685555 571944769 /nfs/dbraw/zinc/94/47/69/571944769.db2.gz FEVBCICAGBQQNH-UHFFFAOYSA-N 1 0 181.279 2.342 10 0 AEAERO CC1(C)CC[NH2+]Cc2ccc(O)cc21 196407478 571944794 /nfs/dbraw/zinc/94/47/94/571944794.db2.gz PEEFSBAECKGZDW-UHFFFAOYSA-N 1 0 191.274 2.163 10 0 AEAERO C[NH2+][C@H](CCCC(F)F)CCOC 687907187 571944840 /nfs/dbraw/zinc/94/48/40/571944840.db2.gz QPWKBFAHAIAGKB-MRVPVSSYSA-N 1 0 195.253 2.046 10 0 AEAERO C[NH2+][C@@H](CCCC(F)F)[C@H](C)OC 687906877 571944871 /nfs/dbraw/zinc/94/48/71/571944871.db2.gz POHZHOXPBSBYAN-YUMQZZPRSA-N 1 0 195.253 2.045 10 0 AEAERO C[C@H]1CCC[C@@H](CO)[N@@H+]1C1CCCC1 335642490 571944899 /nfs/dbraw/zinc/94/48/99/571944899.db2.gz YOBMTHOPRZKGGQ-JQWIXIFHSA-N 1 0 197.322 2.164 10 0 AEAERO C[N@H+](C1CCCC1)[C@@H]1CCCOC1 334254819 571944909 /nfs/dbraw/zinc/94/49/09/571944909.db2.gz KXITXHQTGWCYMP-LLVKDONJSA-N 1 0 183.295 2.040 10 0 AEAERO CO[C@H](C)C[NH2+]CC(C)(C)C(C)C 234769723 571944915 /nfs/dbraw/zinc/94/49/15/571944915.db2.gz MWTRVCNPCNZJOP-SNVBAGLBSA-N 1 0 187.327 2.293 10 0 AEAERO C[NH2+][C@@H](CCCC(F)F)[C@@H](C)OC 687906876 571944917 /nfs/dbraw/zinc/94/49/17/571944917.db2.gz POHZHOXPBSBYAN-SFYZADRCSA-N 1 0 195.253 2.045 10 0 AEAERO CCN(CC[NH3+])[C@H](C)c1ccsc1 300806857 571944921 /nfs/dbraw/zinc/94/49/21/571944921.db2.gz KAVCXNXNSXDYFC-SECBINFHSA-N 1 0 198.335 2.090 10 0 AEAERO [NH3+][C@H]1CC=C(C2=CCCCO2)CC1 687685675 571944949 /nfs/dbraw/zinc/94/49/49/571944949.db2.gz HPOXVSASOISRTP-JTQLQIEISA-N 1 0 179.263 2.118 10 0 AEAERO CC[C@H](C)[C@](C)([NH3+])c1ccnn1CC 687686021 571945010 /nfs/dbraw/zinc/94/50/10/571945010.db2.gz DPWLVPRYMHGWHE-ONGXEEELSA-N 1 0 195.310 2.123 10 0 AEAERO CCCOCC1([NH3+])CCC(C)CC1 687686036 571945028 /nfs/dbraw/zinc/94/50/28/571945028.db2.gz FNPIABWIJRNLAF-UHFFFAOYSA-N 1 0 185.311 2.321 10 0 AEAERO C[C@@H]1CCC[C@]([NH3+])([C@@H]2CCCC[NH2+]2)C1 687686037 571945033 /nfs/dbraw/zinc/94/50/33/571945033.db2.gz FUWXYVXTHMHXQP-GRYCIOLGSA-N 1 0 196.338 2.036 10 0 AEAERO COCCC[C@@H]([NH3+])CCCC(F)F 687902567 571945081 /nfs/dbraw/zinc/94/50/81/571945081.db2.gz DYVICQQXFSFXOE-QMMMGPOBSA-N 1 0 195.253 2.176 10 0 AEAERO C[NH2+][C@H](CCCC(F)F)[C@@H](C)OC 687906872 571945099 /nfs/dbraw/zinc/94/50/99/571945099.db2.gz POHZHOXPBSBYAN-HTQZYQBOSA-N 1 0 195.253 2.045 10 0 AEAERO CC[C@@]([NH3+])(C1=COCCC1)C(C)C 687686524 571949004 /nfs/dbraw/zinc/94/90/04/571949004.db2.gz GTPFNLCLUQFOLT-NSHDSACASA-N 1 0 183.295 2.444 10 0 AEAERO C[C@@H]1CC[C@@H](C)[N@H+](CCC2(O)CC2)C1 334380431 571945135 /nfs/dbraw/zinc/94/51/35/571945135.db2.gz INOZPXBLCYESSS-GHMZBOCLSA-N 1 0 197.322 2.022 10 0 AEAERO COCCCCC[NH2+]CCC1CC1 234769463 571945140 /nfs/dbraw/zinc/94/51/40/571945140.db2.gz DIIJZVQXOHUVPO-UHFFFAOYSA-N 1 0 185.311 2.193 10 0 AEAERO CO[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)CC1 234771449 571945184 /nfs/dbraw/zinc/94/51/84/571945184.db2.gz BLFHYTDVJLGSNR-WDEREUQCSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1[C@@H](CO)CCC[N@@H+]1C1CCCC1 335176362 571945253 /nfs/dbraw/zinc/94/52/53/571945253.db2.gz GESHWIJHUQKRMV-WDEREUQCSA-N 1 0 197.322 2.022 10 0 AEAERO C[C@@H]1CCC[N@H+](C2CCCC2)[C@@H]1CO 335642477 571945266 /nfs/dbraw/zinc/94/52/66/571945266.db2.gz PVYDWSPFSMMFRK-ZYHUDNBSSA-N 1 0 197.322 2.022 10 0 AEAERO CCCOC[C@@]1([NH3+])CCCC[C@H]1C 687686001 571945270 /nfs/dbraw/zinc/94/52/70/571945270.db2.gz BHDSQTHDCYOLNM-MNOVXSKESA-N 1 0 185.311 2.321 10 0 AEAERO Cc1cc(C[NH2+]C(C)C)ccc1N 40219152 571945383 /nfs/dbraw/zinc/94/53/83/571945383.db2.gz ALVGFXRCRSASIQ-UHFFFAOYSA-N 1 0 178.279 2.075 10 0 AEAERO C[C@@H]1CC[C@@H]([N@@H+]2CCOCC23CC3)C1 334205178 571945405 /nfs/dbraw/zinc/94/54/05/571945405.db2.gz XJLUWCDQYSOYCG-GHMZBOCLSA-N 1 0 195.306 2.040 10 0 AEAERO C[C@H]1CC[C@@H]([N@H+](C)C2(CO)CCC2)C1 335738425 571945511 /nfs/dbraw/zinc/94/55/11/571945511.db2.gz QRVSJWTXMNYYQP-WDEREUQCSA-N 1 0 197.322 2.022 10 0 AEAERO C[C@H]1CC[C@@H]([N@@H+]2CCOCC23CC3)C1 334205181 571945520 /nfs/dbraw/zinc/94/55/20/571945520.db2.gz XJLUWCDQYSOYCG-WDEREUQCSA-N 1 0 195.306 2.040 10 0 AEAERO Cc1cn(CCC(C)(C)C)c(N)[nH+]1 235791118 571945540 /nfs/dbraw/zinc/94/55/40/571945540.db2.gz HESWLNWXRYAACJ-UHFFFAOYSA-N 1 0 181.283 2.210 10 0 AEAERO COCCCCC[NH2+]CC=C(C)C 234768467 571945603 /nfs/dbraw/zinc/94/56/03/571945603.db2.gz IRQXSKZAYMCWTB-UHFFFAOYSA-N 1 0 185.311 2.359 10 0 AEAERO C[C@H]1[C@H](CO)CCC[N@@H+]1C1CCCC1 335176361 571945613 /nfs/dbraw/zinc/94/56/13/571945613.db2.gz GESHWIJHUQKRMV-QWRGUYRKSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)CC[NH+]1CC2(CCCOC2)C1 334637850 571945657 /nfs/dbraw/zinc/94/56/57/571945657.db2.gz QNMOZOFGUMKXCZ-UHFFFAOYSA-N 1 0 197.322 2.145 10 0 AEAERO CO[C@H](C)C[C@@H]([NH3+])C1=CCCCC1 234770068 571945671 /nfs/dbraw/zinc/94/56/71/571945671.db2.gz VEJIFGNYIJKEDK-MWLCHTKSSA-N 1 0 183.295 2.239 10 0 AEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C1CCCC1 334199788 571945691 /nfs/dbraw/zinc/94/56/91/571945691.db2.gz NQGGTQGCAFVGFX-GHMZBOCLSA-N 1 0 197.322 2.428 10 0 AEAERO C[C@@H]1[C@H](CO)CCC[N@@H+]1C1CCCC1 335176360 571945699 /nfs/dbraw/zinc/94/56/99/571945699.db2.gz GESHWIJHUQKRMV-MNOVXSKESA-N 1 0 197.322 2.022 10 0 AEAERO C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C(C)(C)O)C1 335023118 571945746 /nfs/dbraw/zinc/94/57/46/571945746.db2.gz OKWXTTCJLUXDMW-NXEZZACHSA-N 1 0 199.338 2.314 10 0 AEAERO C[C@@H]1CC[C@H]([N@@H+]2CCOCC23CC3)C1 334205179 571945787 /nfs/dbraw/zinc/94/57/87/571945787.db2.gz XJLUWCDQYSOYCG-MNOVXSKESA-N 1 0 195.306 2.040 10 0 AEAERO C[C@@H]1CCC[C@@]([NH3+])([C@H]2CCCC[NH2+]2)C1 687686041 571945815 /nfs/dbraw/zinc/94/58/15/571945815.db2.gz FUWXYVXTHMHXQP-UTUOFQBUSA-N 1 0 196.338 2.036 10 0 AEAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccnn1CC 687686020 571945825 /nfs/dbraw/zinc/94/58/25/571945825.db2.gz DPWLVPRYMHGWHE-MWLCHTKSSA-N 1 0 195.310 2.123 10 0 AEAERO C[C@H]1CC[C@H](C)[N@H+](CCC2(O)CC2)C1 334380435 571945851 /nfs/dbraw/zinc/94/58/51/571945851.db2.gz INOZPXBLCYESSS-QWRGUYRKSA-N 1 0 197.322 2.022 10 0 AEAERO C[C@H]1CC[C@H]([N@H+](C)C2(CO)CCC2)C1 335738424 571945926 /nfs/dbraw/zinc/94/59/26/571945926.db2.gz QRVSJWTXMNYYQP-QWRGUYRKSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)[C@H]1C[N@@H+](C2CCC2)CCCO1 334202237 571945946 /nfs/dbraw/zinc/94/59/46/571945946.db2.gz OTSNOMXSVFXGDB-GFCCVEGCSA-N 1 0 197.322 2.286 10 0 AEAERO C[C@]1(CO)CCCC[N@@H+]1CC1CCC1 334474265 571945992 /nfs/dbraw/zinc/94/59/92/571945992.db2.gz KPPVKJRRRSALAV-GFCCVEGCSA-N 1 0 197.322 2.023 10 0 AEAERO C[C@@](C[NH3+])(CO)CCC1CCCCC1 300808761 571946067 /nfs/dbraw/zinc/94/60/67/571946067.db2.gz WYEIVHLOWMHIJX-GFCCVEGCSA-N 1 0 199.338 2.304 10 0 AEAERO C[C@H]1CCC[C@H](CO)[N@@H+]1C1CCCC1 335642489 571946074 /nfs/dbraw/zinc/94/60/74/571946074.db2.gz YOBMTHOPRZKGGQ-CMPLNLGQSA-N 1 0 197.322 2.164 10 0 AEAERO C[C@H]1[C@H](C)CCC[N@@H+]1CCC1(O)CC1 334391174 571946128 /nfs/dbraw/zinc/94/61/28/571946128.db2.gz UTICXDXRSDFLQK-MNOVXSKESA-N 1 0 197.322 2.022 10 0 AEAERO CCn1nccc1[C@]([NH3+])(CC)C(C)C 687686182 571946130 /nfs/dbraw/zinc/94/61/30/571946130.db2.gz PCSGNVYWZZAGPX-NSHDSACASA-N 1 0 195.310 2.123 10 0 AEAERO C[C@@H]1CCC(C)(C)[N@@H+]1CCC1(O)CC1 334692379 571946153 /nfs/dbraw/zinc/94/61/53/571946153.db2.gz NTNBQAWTGYBHSY-SNVBAGLBSA-N 1 0 197.322 2.164 10 0 AEAERO CC[C@H](C)[C@@](C)([NH3+])C1=COCCC1 687686511 571946156 /nfs/dbraw/zinc/94/61/56/571946156.db2.gz GGUARNMCKRLCNH-GXSJLCMTSA-N 1 0 183.295 2.444 10 0 AEAERO CC(C)[NH2+]CCC1=CC=CC1 196418876 571946188 /nfs/dbraw/zinc/94/61/88/571946188.db2.gz JWEISXBLKMFURK-UHFFFAOYSA-N 1 0 151.253 2.261 10 0 AEAERO Cc1ccc[n+](C/C=C\Cl)c1 379332337 571946509 /nfs/dbraw/zinc/94/65/09/571946509.db2.gz HJAAJCAYVCYRBP-HYXAFXHYSA-N 1 0 168.647 2.035 10 0 AEAERO C[NH2+][C@H](CCCC(F)F)[C@H](C)OC 687906874 571946208 /nfs/dbraw/zinc/94/62/08/571946208.db2.gz POHZHOXPBSBYAN-JGVFFNPUSA-N 1 0 195.253 2.045 10 0 AEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C1CCCC1 334199792 571946224 /nfs/dbraw/zinc/94/62/24/571946224.db2.gz NQGGTQGCAFVGFX-WDEREUQCSA-N 1 0 197.322 2.428 10 0 AEAERO CC[C@H]1CO[C@@H](C)C[N@@H+]1C1CCCC1 334199791 571946229 /nfs/dbraw/zinc/94/62/29/571946229.db2.gz NQGGTQGCAFVGFX-QWRGUYRKSA-N 1 0 197.322 2.428 10 0 AEAERO C[C@H]1CCC[N@H+](C2CCCC2)[C@@H]1CO 335642474 571946308 /nfs/dbraw/zinc/94/63/08/571946308.db2.gz PVYDWSPFSMMFRK-CMPLNLGQSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)[C@](C)([NH3+])C1=COCCC1 687686591 571946520 /nfs/dbraw/zinc/94/65/20/571946520.db2.gz KNVCMYRFCAPUGD-JTQLQIEISA-N 1 0 169.268 2.054 10 0 AEAERO COC(C)(C)[C@@H]([NH3+])CCCC(F)F 687906485 571946336 /nfs/dbraw/zinc/94/63/36/571946336.db2.gz NSVQXZRNZNDKHS-ZETCQYMHSA-N 1 0 195.253 2.174 10 0 AEAERO C[C@]1(CO)CCCC[N@@H+]1C1CCCC1 335079083 571946445 /nfs/dbraw/zinc/94/64/45/571946445.db2.gz MVXKJQYAWMXVQS-GFCCVEGCSA-N 1 0 197.322 2.166 10 0 AEAERO CCn1cnc(C2([NH3+])CCCCC2)c1 687686901 571946601 /nfs/dbraw/zinc/94/66/01/571946601.db2.gz AAQSZNPFCUEVMK-UHFFFAOYSA-N 1 0 193.294 2.021 10 0 AEAERO C[C@@H]1CC[C@@H]([N@H+](C)C2(CO)CCC2)C1 335738422 571946662 /nfs/dbraw/zinc/94/66/62/571946662.db2.gz QRVSJWTXMNYYQP-GHMZBOCLSA-N 1 0 197.322 2.022 10 0 AEAERO CCn1nccc1[C@@]([NH3+])(CC)C(C)C 687686181 571946678 /nfs/dbraw/zinc/94/66/78/571946678.db2.gz PCSGNVYWZZAGPX-LLVKDONJSA-N 1 0 195.310 2.123 10 0 AEAERO CC[C@@H](C(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219846060 571946683 /nfs/dbraw/zinc/94/66/83/571946683.db2.gz CBJUEORXEXLBLM-TUAOUCFPSA-N 1 0 198.354 2.090 10 0 AEAERO C[C@H]1CC[C@H]([N@@H+]2CCOCC23CC3)C1 334205180 571946694 /nfs/dbraw/zinc/94/66/94/571946694.db2.gz XJLUWCDQYSOYCG-QWRGUYRKSA-N 1 0 195.306 2.040 10 0 AEAERO CC[C@H]1CO[C@H](C)C[N@@H+]1C1CCCC1 334199789 571946729 /nfs/dbraw/zinc/94/67/29/571946729.db2.gz NQGGTQGCAFVGFX-MNOVXSKESA-N 1 0 197.322 2.428 10 0 AEAERO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C1CCCC1 335642491 571946737 /nfs/dbraw/zinc/94/67/37/571946737.db2.gz YOBMTHOPRZKGGQ-PWSUYJOCSA-N 1 0 197.322 2.164 10 0 AEAERO C[NH2+][C@@H](CCCC(F)F)CCOC 687907188 571946755 /nfs/dbraw/zinc/94/67/55/571946755.db2.gz QPWKBFAHAIAGKB-QMMMGPOBSA-N 1 0 195.253 2.046 10 0 AEAERO CCOCC[C@H]([NH3+])CCCC(F)F 687903669 571946770 /nfs/dbraw/zinc/94/67/70/571946770.db2.gz JCRJXCDONMPDGM-MRVPVSSYSA-N 1 0 195.253 2.176 10 0 AEAERO C[C@@H]1CC[C@H]([N@H+](C)C2(CO)CCC2)C1 335738423 571946803 /nfs/dbraw/zinc/94/68/03/571946803.db2.gz QRVSJWTXMNYYQP-MNOVXSKESA-N 1 0 197.322 2.022 10 0 AEAERO C[C@H]1CC[C@@H]([NH2+]C(C)(C)C(C)(C)O)C1 335023120 571946827 /nfs/dbraw/zinc/94/68/27/571946827.db2.gz OKWXTTCJLUXDMW-VHSXEESVSA-N 1 0 199.338 2.314 10 0 AEAERO CC[C@]1(C)COCC[N@@H+]1C1CCCC1 335642414 571946856 /nfs/dbraw/zinc/94/68/56/571946856.db2.gz AEHCRJUQKOWBKS-GFCCVEGCSA-N 1 0 197.322 2.430 10 0 AEAERO COCCC[C@H]([NH3+])CCCC(F)F 687902566 571946861 /nfs/dbraw/zinc/94/68/61/571946861.db2.gz DYVICQQXFSFXOE-MRVPVSSYSA-N 1 0 195.253 2.176 10 0 AEAERO COC(C)(C)[C@H]([NH3+])CCCC(F)F 687906484 571946868 /nfs/dbraw/zinc/94/68/68/571946868.db2.gz NSVQXZRNZNDKHS-SSDOTTSWSA-N 1 0 195.253 2.174 10 0 AEAERO C[C@@H]1CCC[N@H+](C2CCCC2)[C@H]1CO 335642476 571946885 /nfs/dbraw/zinc/94/68/85/571946885.db2.gz PVYDWSPFSMMFRK-PWSUYJOCSA-N 1 0 197.322 2.022 10 0 AEAERO COC[C@](F)(CCC[NH3+])C(C)(C)C 234777409 571946903 /nfs/dbraw/zinc/94/69/03/571946903.db2.gz KUVFDFNCGVVUCQ-SNVBAGLBSA-N 1 0 191.290 2.126 10 0 AEAERO CCCOC[C@](C)([NH3+])c1ccccc1 687686174 571946945 /nfs/dbraw/zinc/94/69/45/571946945.db2.gz ONZCUJWPJQZXJY-LBPRGKRZSA-N 1 0 193.290 2.287 10 0 AEAERO CC1(C)C[NH+](C2CCC2)CC(C)(C)O1 335748715 571946976 /nfs/dbraw/zinc/94/69/76/571946976.db2.gz FIAKYSQNXCBISZ-UHFFFAOYSA-N 1 0 197.322 2.428 10 0 AEAERO CC(C)[C@@H]1C[N@@H+](C2CCC2)CCCO1 334202238 571947080 /nfs/dbraw/zinc/94/70/80/571947080.db2.gz OTSNOMXSVFXGDB-LBPRGKRZSA-N 1 0 197.322 2.286 10 0 AEAERO CC[C@]1(CO)CCC[N@@H+]1C1CCCC1 335381740 571947114 /nfs/dbraw/zinc/94/71/14/571947114.db2.gz ZTJVOBFRYPKWTD-GFCCVEGCSA-N 1 0 197.322 2.166 10 0 AEAERO C[C@@H]1CC[N@H+](CCC2(O)CC2)[C@H](C)C1 335093094 571947127 /nfs/dbraw/zinc/94/71/27/571947127.db2.gz FXINBTKCLKLCHM-GHMZBOCLSA-N 1 0 197.322 2.022 10 0 AEAERO CCC([NH3+])(CC)C1=COCCC1 687686835 571947139 /nfs/dbraw/zinc/94/71/39/571947139.db2.gz XYIXZLPDXYHXLM-UHFFFAOYSA-N 1 0 169.268 2.198 10 0 AEAERO CC[C@@H](C)[C@@](C)([NH3+])C1=COCCC1 687686513 571947172 /nfs/dbraw/zinc/94/71/72/571947172.db2.gz GGUARNMCKRLCNH-MWLCHTKSSA-N 1 0 183.295 2.444 10 0 AEAERO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C1CCCC1 335176359 571947006 /nfs/dbraw/zinc/94/70/06/571947006.db2.gz GESHWIJHUQKRMV-GHMZBOCLSA-N 1 0 197.322 2.022 10 0 AEAERO CC[C@@H](C)[C@](C)([NH3+])C1=COCCC1 687686512 571947386 /nfs/dbraw/zinc/94/73/86/571947386.db2.gz GGUARNMCKRLCNH-KOLCDFICSA-N 1 0 183.295 2.444 10 0 AEAERO C[C@](C[NH3+])(CO)CCC1CCCCC1 300808763 571947414 /nfs/dbraw/zinc/94/74/14/571947414.db2.gz WYEIVHLOWMHIJX-LBPRGKRZSA-N 1 0 199.338 2.304 10 0 AEAERO CC(C)[N@H+](C1CCCC1)[C@H]1CCOC1 335835071 571947423 /nfs/dbraw/zinc/94/74/23/571947423.db2.gz VAMPLLFNJKYEPC-LBPRGKRZSA-N 1 0 197.322 2.428 10 0 AEAERO CCOCC[C@@H]([NH3+])CCCC(F)F 687903670 571947498 /nfs/dbraw/zinc/94/74/98/571947498.db2.gz JCRJXCDONMPDGM-QMMMGPOBSA-N 1 0 195.253 2.176 10 0 AEAERO C[C@H]1CCC[N@H+](C2CCCC2)[C@H]1CO 335642475 571947556 /nfs/dbraw/zinc/94/75/56/571947556.db2.gz PVYDWSPFSMMFRK-JQWIXIFHSA-N 1 0 197.322 2.022 10 0 AEAERO CCCOC[C@@](C)([NH3+])c1ccccc1 687686173 571947570 /nfs/dbraw/zinc/94/75/70/571947570.db2.gz ONZCUJWPJQZXJY-GFCCVEGCSA-N 1 0 193.290 2.287 10 0 AEAERO C[C@H]1CCC(C)(C)[N@@H+]1CCC1(O)CC1 334692378 571947595 /nfs/dbraw/zinc/94/75/95/571947595.db2.gz NTNBQAWTGYBHSY-JTQLQIEISA-N 1 0 197.322 2.164 10 0 AEAERO CC(C)[N@H+](C1CCCC1)[C@@H]1CCOC1 335835069 571947603 /nfs/dbraw/zinc/94/76/03/571947603.db2.gz VAMPLLFNJKYEPC-GFCCVEGCSA-N 1 0 197.322 2.428 10 0 AEAERO CO[C@H](C(C)C)[C@@H]([NH3+])C1=CCCCC1 234775877 571947696 /nfs/dbraw/zinc/94/76/96/571947696.db2.gz JMUAXOWGBMVZOJ-NWDGAFQWSA-N 1 0 197.322 2.485 10 0 AEAERO CCN(CC[NH3+])[C@@H](C)c1ccsc1 300806860 571947702 /nfs/dbraw/zinc/94/77/02/571947702.db2.gz KAVCXNXNSXDYFC-VIFPVBQESA-N 1 0 198.335 2.090 10 0 AEAERO Cc1cnc([C@@H]([NH3+])CC(C)C)o1 11587168 571947752 /nfs/dbraw/zinc/94/77/52/571947752.db2.gz SXTFPYIAHKUIRZ-QMMMGPOBSA-N 1 0 168.240 2.029 10 0 AEAERO C[C@@H]1CCC[N@H+](CCC2(O)CC2)[C@@H]1C 334391172 571947764 /nfs/dbraw/zinc/94/77/64/571947764.db2.gz UTICXDXRSDFLQK-GHMZBOCLSA-N 1 0 197.322 2.022 10 0 AEAERO CCC1(C[NH+]2CCCC2)CCOCC1 334181724 571947774 /nfs/dbraw/zinc/94/77/74/571947774.db2.gz AVYWBTVUTRYGKX-UHFFFAOYSA-N 1 0 197.322 2.289 10 0 AEAERO CC[C@@]1(CO)CCC[N@@H+]1C1CCCC1 335381741 571947804 /nfs/dbraw/zinc/94/78/04/571947804.db2.gz ZTJVOBFRYPKWTD-LBPRGKRZSA-N 1 0 197.322 2.166 10 0 AEAERO CC[C@]([NH3+])(C1=COCCC1)C(C)C 687686523 571947842 /nfs/dbraw/zinc/94/78/42/571947842.db2.gz GTPFNLCLUQFOLT-LLVKDONJSA-N 1 0 183.295 2.444 10 0 AEAERO CC[C@H](C)[C@](C)([NH3+])C1=COCCC1 687686514 571948204 /nfs/dbraw/zinc/94/82/04/571948204.db2.gz GGUARNMCKRLCNH-ONGXEEELSA-N 1 0 183.295 2.444 10 0 AEAERO C[C@H]1CCC[C@H](C)C1=[NH2+] 31372517 571948208 /nfs/dbraw/zinc/94/82/08/571948208.db2.gz DQTFHATYWYGPQG-BQBZGAKWSA-N 1 0 125.215 2.462 10 0 AEAERO CC[C@@H](C)Cn1ccc(C[NH3+])c1C 300809513 571948297 /nfs/dbraw/zinc/94/82/97/571948297.db2.gz XXHGIOWAGOBTTK-SECBINFHSA-N 1 0 180.295 2.301 10 0 AEAERO Cc1cc[n+](C/C=C\Cl)cc1 379336259 571948320 /nfs/dbraw/zinc/94/83/20/571948320.db2.gz PKWHCHREINJICH-DJWKRKHSSA-N 1 0 168.647 2.035 10 0 AEAERO CC(C)([NH3+])C(=O)CCC1CCCC1 300810053 571948571 /nfs/dbraw/zinc/94/85/71/571948571.db2.gz XCRQYUMMCSINMO-UHFFFAOYSA-N 1 0 183.295 2.263 10 0 AEAERO Cc1cnc([C@H]([NH3+])CC(C)C)o1 11587167 571948646 /nfs/dbraw/zinc/94/86/46/571948646.db2.gz SXTFPYIAHKUIRZ-MRVPVSSYSA-N 1 0 168.240 2.029 10 0 AEAERO C[C@H]([NH2+]C[C@@H]1CC1(C)C)C(F)F 235519992 571948649 /nfs/dbraw/zinc/94/86/49/571948649.db2.gz YGPZLTLJWPXOAO-BQBZGAKWSA-N 1 0 177.238 2.276 10 0 AEAERO CO[C@H](C)C[C@H]([NH3+])C1=CCCCC1 234776414 571948690 /nfs/dbraw/zinc/94/86/90/571948690.db2.gz VEJIFGNYIJKEDK-KOLCDFICSA-N 1 0 183.295 2.239 10 0 AEAERO CC(C)[C@@](C)([NH3+])C1=COCCC1 687686592 571948723 /nfs/dbraw/zinc/94/87/23/571948723.db2.gz KNVCMYRFCAPUGD-SNVBAGLBSA-N 1 0 169.268 2.054 10 0 AEAERO CCC[C@H]1CCC[N@@H+]([C@@H](C)CN)CC1 79304231 571948788 /nfs/dbraw/zinc/94/87/88/571948788.db2.gz BQCQMENJPPKXQR-RYUDHWBXSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@H](C[NH3+])CC[C@H]1CCOC1 400622643 571948836 /nfs/dbraw/zinc/94/88/36/571948836.db2.gz KTPBMBDXHHJBPI-QWRGUYRKSA-N 1 0 185.311 2.178 10 0 AEAERO CC[C@H](C)Cn1ccc(C[NH3+])c1C 300809515 571948971 /nfs/dbraw/zinc/94/89/71/571948971.db2.gz XXHGIOWAGOBTTK-VIFPVBQESA-N 1 0 180.295 2.301 10 0 AEAERO Cc1cccc[n+]1C/C=C\Cl 379336583 571949126 /nfs/dbraw/zinc/94/91/26/571949126.db2.gz RDKINUHZMUHYHP-XQRVVYSFSA-N 1 0 168.647 2.035 10 0 AEAERO CO[C@@H](C)C[C@@H]([NH3+])CCCC(F)F 687909496 571949290 /nfs/dbraw/zinc/94/92/90/571949290.db2.gz ZPPWVXDESITVDU-YUMQZZPRSA-N 1 0 195.253 2.174 10 0 AEAERO CO[C@@H](C)C[C@H]([NH3+])CCCC(F)F 687909494 571949773 /nfs/dbraw/zinc/94/97/73/571949773.db2.gz ZPPWVXDESITVDU-JGVFFNPUSA-N 1 0 195.253 2.174 10 0 AEAERO CC(C)c1ccc(C(=O)[C@@H](C)[NH3+])cc1 11630530 571950005 /nfs/dbraw/zinc/95/00/05/571950005.db2.gz OCRQIZHOUWUXST-SECBINFHSA-N 1 0 191.274 2.340 10 0 AEAERO CCc1csc([C@H]([NH3+])C(C)C)n1 11631786 571950123 /nfs/dbraw/zinc/95/01/23/571950123.db2.gz FACKEDQSKUZFRD-MRVPVSSYSA-N 1 0 184.308 2.361 10 0 AEAERO CCC[C@@H]1CCC[N@@H+]([C@@H](C)CN)CC1 79304230 571950174 /nfs/dbraw/zinc/95/01/74/571950174.db2.gz BQCQMENJPPKXQR-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CO[C@H](C)C[C@H]([NH3+])CCCC(F)F 687909493 571950198 /nfs/dbraw/zinc/95/01/98/571950198.db2.gz ZPPWVXDESITVDU-HTQZYQBOSA-N 1 0 195.253 2.174 10 0 AEAERO CC[C@@H]1[NH2+]CCc2ccc(OC)cc21 11598331 571950329 /nfs/dbraw/zinc/95/03/29/571950329.db2.gz PHQLMKABTKLFLL-LBPRGKRZSA-N 1 0 191.274 2.292 10 0 AEAERO CCCC(=[NH2+])N1CCCO[C@@H](CC)C1 300811572 571950388 /nfs/dbraw/zinc/95/03/88/571950388.db2.gz CBRRBSPVAYUHAK-JTQLQIEISA-N 1 0 198.310 2.265 10 0 AEAERO CC(C)(C)C[N@@H+]1CC[C@H](O)C(C)(C)C1 713148300 571950397 /nfs/dbraw/zinc/95/03/97/571950397.db2.gz ZQPZMVFTBSOQBN-JTQLQIEISA-N 1 0 199.338 2.125 10 0 AEAERO CC(C)c1ccc(C(=O)[C@H](C)[NH3+])cc1 11630531 571950436 /nfs/dbraw/zinc/95/04/36/571950436.db2.gz OCRQIZHOUWUXST-VIFPVBQESA-N 1 0 191.274 2.340 10 0 AEAERO C[C@H]([NH2+]CC1(C)CCC1)C(F)F 235523078 571950516 /nfs/dbraw/zinc/95/05/16/571950516.db2.gz MSLHJPMIHVKWIL-ZETCQYMHSA-N 1 0 177.238 2.420 10 0 AEAERO CC(C)(C)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 713148306 571950720 /nfs/dbraw/zinc/95/07/20/571950720.db2.gz ZQPZMVFTBSOQBN-SNVBAGLBSA-N 1 0 199.338 2.125 10 0 AEAERO C1CCC(CCO[C@@H]2CCC[NH2+]C2)C1 300811517 571950784 /nfs/dbraw/zinc/95/07/84/571950784.db2.gz XLHCTIAEMFHRBC-GFCCVEGCSA-N 1 0 197.322 2.335 10 0 AEAERO C[C@H](C[NH3+])CCc1cccs1 11631444 571950918 /nfs/dbraw/zinc/95/09/18/571950918.db2.gz OBCGZIWASAWWLT-QMMMGPOBSA-N 1 0 169.293 2.276 10 0 AEAERO Cc1cc(C[C@@H]2CCC[NH2+]2)ccc1F 11630855 571950942 /nfs/dbraw/zinc/95/09/42/571950942.db2.gz DXLOJGVXCCLHAK-NSHDSACASA-N 1 0 193.265 2.429 10 0 AEAERO CCn1ccnc1[C@]([NH3+])(CC)C(C)C 687687221 571951060 /nfs/dbraw/zinc/95/10/60/571951060.db2.gz NZQOGDJGTNCNNJ-NSHDSACASA-N 1 0 195.310 2.123 10 0 AEAERO C[C@H]([NH3+])Cc1c(F)cccc1Cl 11596658 571951122 /nfs/dbraw/zinc/95/11/22/571951122.db2.gz OOAYMDDDTFCQME-LURJTMIESA-N 1 0 187.645 2.369 10 0 AEAERO Cc1cc(C[C@H]2CCC[NH2+]2)ccc1F 11630856 571951265 /nfs/dbraw/zinc/95/12/65/571951265.db2.gz DXLOJGVXCCLHAK-LLVKDONJSA-N 1 0 193.265 2.429 10 0 AEAERO CC[C@H]1[NH2+]CCc2ccc(OC)cc21 11598333 571951382 /nfs/dbraw/zinc/95/13/82/571951382.db2.gz PHQLMKABTKLFLL-GFCCVEGCSA-N 1 0 191.274 2.292 10 0 AEAERO COC[C@](F)(CCC[NH3+])CC(C)C 234778282 571951635 /nfs/dbraw/zinc/95/16/35/571951635.db2.gz DVVHVVZRAULNGX-JTQLQIEISA-N 1 0 191.290 2.126 10 0 AEAERO Cc1cc(CC[C@@H](C)[NH3+])ccc1F 11631313 571951665 /nfs/dbraw/zinc/95/16/65/571951665.db2.gz QSPMWSVBFIAQHK-SECBINFHSA-N 1 0 181.254 2.414 10 0 AEAERO COC[C@@](F)(C=C(C)C)CCC[NH3+] 234778197 571951711 /nfs/dbraw/zinc/95/17/11/571951711.db2.gz NBRRLTPAZOQMAR-JTQLQIEISA-N 1 0 189.274 2.046 10 0 AEAERO CCn1ccnc1[C@@]([NH3+])(CC)C(C)C 687687220 571951723 /nfs/dbraw/zinc/95/17/23/571951723.db2.gz NZQOGDJGTNCNNJ-LLVKDONJSA-N 1 0 195.310 2.123 10 0 AEAERO CCOc1ccccc1CCCC[NH3+] 11596965 571952021 /nfs/dbraw/zinc/95/20/21/571952021.db2.gz QLUKCHUQVQACPG-UHFFFAOYSA-N 1 0 193.290 2.367 10 0 AEAERO CO[C@H](C)C[C@@H]([NH3+])CCCC(F)F 687909495 571952034 /nfs/dbraw/zinc/95/20/34/571952034.db2.gz ZPPWVXDESITVDU-SFYZADRCSA-N 1 0 195.253 2.174 10 0 AEAERO CCc1csc([C@@H]([NH3+])C(C)C)n1 11631785 571952068 /nfs/dbraw/zinc/95/20/68/571952068.db2.gz FACKEDQSKUZFRD-QMMMGPOBSA-N 1 0 184.308 2.361 10 0 AEAERO NC1=[NH+][C@@H](Cc2ccco2)CCCC1 139543263 571952252 /nfs/dbraw/zinc/95/22/52/571952252.db2.gz NXLPETSAZDYAFA-SECBINFHSA-N 1 0 192.262 2.122 10 0 AEAERO c1ccc2c(c1)OCC[NH2+][C@@H]2C1CC1 11802720 571953421 /nfs/dbraw/zinc/95/34/21/571953421.db2.gz DDAFRZMVUZKVEH-GFCCVEGCSA-N 1 0 189.258 2.120 10 0 AEAERO C1CCC(CCO[C@H]2CCC[NH2+]C2)C1 300811519 571952368 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571957144 /nfs/dbraw/zinc/95/71/44/571957144.db2.gz HXBWYSALRGNRNR-WDEREUQCSA-N 1 0 193.290 2.456 10 0 AEAERO CCC([NH3+])(CC)c1cccnc1OC 687688422 571957882 /nfs/dbraw/zinc/95/78/82/571957882.db2.gz LAYPABWAIMKPQZ-UHFFFAOYSA-N 1 0 194.278 2.064 10 0 AEAERO C[NH2+][C@H](Cc1ccco1)[C@H]1CC1(C)C 234468685 571957242 /nfs/dbraw/zinc/95/72/42/571957242.db2.gz HXBWYSALRGNRNR-GHMZBOCLSA-N 1 0 193.290 2.456 10 0 AEAERO CC(C)[C@H]1COCC2(CCCCC2)[NH2+]1 11950368 571957270 /nfs/dbraw/zinc/95/72/70/571957270.db2.gz ROIRWRITUCRDMH-LLVKDONJSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@@]1(COC)C[C@H]1C[NH2+]CC(C)C 79717061 571957286 /nfs/dbraw/zinc/95/72/86/571957286.db2.gz WXBVSVVHWJQGAP-RYUDHWBXSA-N 1 0 199.338 2.295 10 0 AEAERO C[C@]([NH3+])(CC[C@@H]1CCCO1)C1CC1 687688413 571957294 /nfs/dbraw/zinc/95/72/94/571957294.db2.gz JHNGJDFCWLWAGH-QWRGUYRKSA-N 1 0 183.295 2.073 10 0 AEAERO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H]1CO 393440203 571957406 /nfs/dbraw/zinc/95/74/06/571957406.db2.gz 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COCCCC[C@](C)([NH3+])[C@H]1C[C@H]1C 686335094 571957814 /nfs/dbraw/zinc/95/78/14/571957814.db2.gz JNFBRIKLDZUIHF-VWYCJHECSA-N 1 0 185.311 2.177 10 0 AEAERO CC[NH2+][C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@@H]21 687814953 571957859 /nfs/dbraw/zinc/95/78/59/571957859.db2.gz NQBWNJGHKJDXOJ-UHFZAUJKSA-N 1 0 179.307 2.421 10 0 AEAERO CC(C)[C@@](C)([NH3+])Cc1ccoc1 687688383 571957866 /nfs/dbraw/zinc/95/78/66/571957866.db2.gz HSFDZIZDALFRDG-JTQLQIEISA-N 1 0 167.252 2.196 10 0 AEAERO [NH3+][C@H](Cc1ncccc1Cl)C1CC1 71004715 571959772 /nfs/dbraw/zinc/95/97/72/571959772.db2.gz SKAIBXQGDNAZCL-SECBINFHSA-N 1 0 196.681 2.015 10 0 AEAERO COC(C)(C)CC[C@](C)([NH3+])C1CC1 687688454 571957884 /nfs/dbraw/zinc/95/78/84/571957884.db2.gz NXBKHABJAYTETJ-NSHDSACASA-N 1 0 185.311 2.319 10 0 AEAERO CC(C)c1csc(C[C@H](C)[NH3+])n1 11883657 571957886 /nfs/dbraw/zinc/95/78/86/571957886.db2.gz MJKAOOIWUJBIIF-ZETCQYMHSA-N 1 0 184.308 2.156 10 0 AEAERO Cc1cc2nc(C[NH3+])sc2cc1C 31894792 571959773 /nfs/dbraw/zinc/95/97/73/571959773.db2.gz MVGWKKNPWHEQCW-UHFFFAOYSA-N 1 0 192.287 2.372 10 0 AEAERO CC(C)C[C@H](CO)[NH2+][C@H](C)C1(C)CC1 40775276 571959775 /nfs/dbraw/zinc/95/97/75/571959775.db2.gz XZSIPUXPVMPOTJ-GHMZBOCLSA-N 1 0 199.338 2.172 10 0 AEAERO Cc1cc(Cl)ccc1OC[C@@H](C)[NH3+] 31897757 571957948 /nfs/dbraw/zinc/95/79/48/571957948.db2.gz XJFIDLVKRPNXDR-MRVPVSSYSA-N 1 0 199.681 2.374 10 0 AEAERO CCCC[C@@H](CC)C[NH2+][C@H](C)CN 79928588 571958040 /nfs/dbraw/zinc/95/80/40/571958040.db2.gz UGRXKGJVCOXXDP-GHMZBOCLSA-N 1 0 186.343 2.140 10 0 AEAERO C[C@@]([NH3+])(CC[C@@H]1CCCO1)C1CC1 687688414 571958054 /nfs/dbraw/zinc/95/80/54/571958054.db2.gz JHNGJDFCWLWAGH-WDEREUQCSA-N 1 0 183.295 2.073 10 0 AEAERO COCC[C@@](C)([NH3+])CCC(F)(F)F 687688141 571958244 /nfs/dbraw/zinc/95/82/44/571958244.db2.gz YLUIEXMEIKNLAT-ZETCQYMHSA-N 1 0 199.216 2.083 10 0 AEAERO CC(C)[C@@](C)([NH3+])Cc1ccco1 687688782 571960127 /nfs/dbraw/zinc/96/01/27/571960127.db2.gz ZHVWIVCBBLWUJQ-JTQLQIEISA-N 1 0 167.252 2.196 10 0 AEAERO C[C@@]([NH3+])(CCC(F)(F)F)C1CC1 687688115 571958264 /nfs/dbraw/zinc/95/82/64/571958264.db2.gz WHNWWUAYKDFQRI-SSDOTTSWSA-N 1 0 181.201 2.456 10 0 AEAERO CC[C@H](C)C[C@H](O)[C@](C)(CC)C[NH3+] 394447522 571958272 /nfs/dbraw/zinc/95/82/72/571958272.db2.gz HTCSGVQLDHMWDD-GARJFASQSA-N 1 0 187.327 2.159 10 0 AEAERO CCCC[C@@H](CC)C[NH2+][C@@H](C)CN 79928581 571958321 /nfs/dbraw/zinc/95/83/21/571958321.db2.gz UGRXKGJVCOXXDP-WDEREUQCSA-N 1 0 186.343 2.140 10 0 AEAERO CCC1(CC)COC[C@H](C(C)C)[NH2+]1 11950259 571958347 /nfs/dbraw/zinc/95/83/47/571958347.db2.gz GNBZGJWJUYCXNH-SNVBAGLBSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@]([NH3+])(CC[C@H]1CCCO1)C1CC1 687688411 571958350 /nfs/dbraw/zinc/95/83/50/571958350.db2.gz JHNGJDFCWLWAGH-GHMZBOCLSA-N 1 0 183.295 2.073 10 0 AEAERO Cn1c(N)[nH+]c2cccc(C3CC3)c21 140689822 571958467 /nfs/dbraw/zinc/95/84/67/571958467.db2.gz IGYLQNSLQWXPAJ-UHFFFAOYSA-N 1 0 187.246 2.033 10 0 AEAERO C[NH2+][C@@H](C[C@H](C)OC)CC(C)(C)C 713156856 571960483 /nfs/dbraw/zinc/96/04/83/571960483.db2.gz FSBVFUAGONEFPM-UWVGGRQHSA-N 1 0 187.327 2.436 10 0 AEAERO [NH3+][C@@]1(c2ccccc2F)C[C@@H]2C[C@@H]2C1 250195425 571958637 /nfs/dbraw/zinc/95/86/37/571958637.db2.gz MYZQFDVUWPCSNT-BZBKMWRSSA-N 1 0 191.249 2.410 10 0 AEAERO CC[C@H]1COCC2(CCCCC2)[NH2+]1 11950360 571958646 /nfs/dbraw/zinc/95/86/46/571958646.db2.gz ZZHCYQHOGYJOHO-JTQLQIEISA-N 1 0 183.295 2.088 10 0 AEAERO CCc1csc(C[C@@H]2CCC[NH2+]2)n1 11883883 571958773 /nfs/dbraw/zinc/95/87/73/571958773.db2.gz KPVYESCDYGUOFC-VIFPVBQESA-N 1 0 196.319 2.000 10 0 AEAERO CO[C@@H]1CCCC[C@H]1[NH2+]CC1(C)CC1 234781802 571958781 /nfs/dbraw/zinc/95/87/81/571958781.db2.gz BLFHYTDVJLGSNR-GHMZBOCLSA-N 1 0 197.322 2.334 10 0 AEAERO CC(C)[NH2+]CCC(=O)c1ccccc1 39191638 571958786 /nfs/dbraw/zinc/95/87/86/571958786.db2.gz IQBUPVMNFOIZFE-UHFFFAOYSA-N 1 0 191.274 2.257 10 0 AEAERO CC(C)C[C@H]1COCC2(CCCC2)[NH2+]1 11950329 571958906 /nfs/dbraw/zinc/95/89/06/571958906.db2.gz FFSGHDZORKZQPE-NSHDSACASA-N 1 0 197.322 2.334 10 0 AEAERO CCCC[C@H](CC)C[NH2+][C@@H](C)CN 79928585 571959051 /nfs/dbraw/zinc/95/90/51/571959051.db2.gz UGRXKGJVCOXXDP-QWRGUYRKSA-N 1 0 186.343 2.140 10 0 AEAERO Cc1ccc2[nH]c3c(c2c1)CC[NH+]=C3 11919677 571959062 /nfs/dbraw/zinc/95/90/62/571959062.db2.gz ARDYRRRGELAPTQ-UHFFFAOYSA-N 1 0 184.242 2.451 10 0 AEAERO CCCC[C@H](CC)C[NH2+][C@H](C)CN 79928591 571959064 /nfs/dbraw/zinc/95/90/64/571959064.db2.gz UGRXKGJVCOXXDP-MNOVXSKESA-N 1 0 186.343 2.140 10 0 AEAERO CC[C@@H](C[NH3+])Cc1cccs1 11975169 571959100 /nfs/dbraw/zinc/95/91/00/571959100.db2.gz ZOVCEYOBGSNOAB-MRVPVSSYSA-N 1 0 169.293 2.276 10 0 AEAERO CCc1csc(C[C@H]2CCC[NH2+]2)n1 11883887 571959130 /nfs/dbraw/zinc/95/91/30/571959130.db2.gz KPVYESCDYGUOFC-SECBINFHSA-N 1 0 196.319 2.000 10 0 AEAERO CC(C)c1csc(C[C@@H](C)[NH3+])n1 11883654 571959161 /nfs/dbraw/zinc/95/91/61/571959161.db2.gz MJKAOOIWUJBIIF-SSDOTTSWSA-N 1 0 184.308 2.156 10 0 AEAERO CC[C@@H]1COCC2(CCCCC2)[NH2+]1 11950356 571959163 /nfs/dbraw/zinc/95/91/63/571959163.db2.gz ZZHCYQHOGYJOHO-SNVBAGLBSA-N 1 0 183.295 2.088 10 0 AEAERO CC[C@H]([NH3+])c1cnc2cccc(C)n12 31911325 571959173 /nfs/dbraw/zinc/95/91/73/571959173.db2.gz KOTBXORDFYMMBE-VIFPVBQESA-N 1 0 189.262 2.053 10 0 AEAERO CC[C@@H]([NH3+])c1c(C)nc2ccccn12 31911970 571959215 /nfs/dbraw/zinc/95/92/15/571959215.db2.gz YXPJMZPLYGSTLF-SECBINFHSA-N 1 0 189.262 2.053 10 0 AEAERO Cc1ccc(C)c2sc(C[NH3+])nc12 31894541 571959244 /nfs/dbraw/zinc/95/92/44/571959244.db2.gz IYAXMGOUVAJOTH-UHFFFAOYSA-N 1 0 192.287 2.372 10 0 AEAERO CCc1[nH]c2ccccc2c1C[NH3+] 11950919 571959268 /nfs/dbraw/zinc/95/92/68/571959268.db2.gz KNJFWYFFIKGLJA-UHFFFAOYSA-N 1 0 174.247 2.189 10 0 AEAERO Cc1ccc(-c2c[nH]c(N)[nH+]2)cc1C 31891122 571959277 /nfs/dbraw/zinc/95/92/77/571959277.db2.gz QPKGONRAIRZSPX-UHFFFAOYSA-N 1 0 187.246 2.276 10 0 AEAERO CC[C@@H]([NH3+])c1cnc2cc(C)ccn12 31911550 571959327 /nfs/dbraw/zinc/95/93/27/571959327.db2.gz VALFNBDQUAECRJ-SECBINFHSA-N 1 0 189.262 2.053 10 0 AEAERO CC[C@@H](C)[C@H]1COCC2(CCCC2)[NH2+]1 11950319 571959334 /nfs/dbraw/zinc/95/93/34/571959334.db2.gz GSBIEVBWXKSTGF-GHMZBOCLSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@H]([NH3+])c1cnc2ccc(C)cn12 31911437 571959395 /nfs/dbraw/zinc/95/93/95/571959395.db2.gz MOVAUYFTLYPLRP-VIFPVBQESA-N 1 0 189.262 2.053 10 0 AEAERO CC[C@@H]([NH3+])c1cnc2ccc(C)cn12 31911435 571959415 /nfs/dbraw/zinc/95/94/15/571959415.db2.gz MOVAUYFTLYPLRP-SECBINFHSA-N 1 0 189.262 2.053 10 0 AEAERO C[NH2+][C@H](C[C@H](C)OC)CC(C)(C)C 713156860 571959487 /nfs/dbraw/zinc/95/94/87/571959487.db2.gz FSBVFUAGONEFPM-VHSXEESVSA-N 1 0 187.327 2.436 10 0 AEAERO Cc1ccc2sc(C[NH3+])nc2c1C 31894602 571959523 /nfs/dbraw/zinc/95/95/23/571959523.db2.gz YOEQHASMKYWOKE-UHFFFAOYSA-N 1 0 192.287 2.372 10 0 AEAERO CCc1ccc2nc(C[NH3+])sc2c1 31894584 571959646 /nfs/dbraw/zinc/95/96/46/571959646.db2.gz XUOCRVCIDZKERW-UHFFFAOYSA-N 1 0 192.287 2.317 10 0 AEAERO CC(C)(C)C[C@H]([NH3+])[C@@H]1CCCCO1 713160514 571959699 /nfs/dbraw/zinc/95/96/99/571959699.db2.gz SNINMINYBLXHHT-UWVGGRQHSA-N 1 0 185.311 2.319 10 0 AEAERO CC[C@H]([NH3+])c1cnc2cc(C)ccn12 31911552 571959781 /nfs/dbraw/zinc/95/97/81/571959781.db2.gz VALFNBDQUAECRJ-VIFPVBQESA-N 1 0 189.262 2.053 10 0 AEAERO C1=C[C@H](C[C@H]2CCCC[NH2+]2)CC1 687815574 571959856 /nfs/dbraw/zinc/95/98/56/571959856.db2.gz BRBZXOYUJLBGOI-WDEREUQCSA-N 1 0 165.280 2.485 10 0 AEAERO COC[C@@H]1C[C@@H]([NH3+])[C@@H](CC(C)(C)C)C1 713157364 571959899 /nfs/dbraw/zinc/95/98/99/571959899.db2.gz CBSFMJVXLPOSOB-HBNTYKKESA-N 1 0 199.338 2.423 10 0 AEAERO Cc1nc(C[C@@](C)([NH3+])C2CC2)cs1 687689197 571959992 /nfs/dbraw/zinc/95/99/92/571959992.db2.gz PEBUEOXPFRUJPB-SNVBAGLBSA-N 1 0 196.319 2.121 10 0 AEAERO [NH3+][C@H]1CC=C(c2ccsn2)CC1 687688595 571960544 /nfs/dbraw/zinc/96/05/44/571960544.db2.gz BGRIJZHWZPBOKH-QMMMGPOBSA-N 1 0 180.276 2.038 10 0 AEAERO CO[C@@H]1CCC[C@H](C2=C[C@@H]([NH3+])CC2)C1 686335407 571960050 /nfs/dbraw/zinc/96/00/50/571960050.db2.gz XYLIFYAYRZYSNC-ZMLRMANQSA-N 1 0 195.306 2.239 10 0 AEAERO C[NH2+][C@H]1COC[C@@H]1CC(C)(C)C(C)C 713159982 571960073 /nfs/dbraw/zinc/96/00/73/571960073.db2.gz LRYGVZVCAWQLBH-QWRGUYRKSA-N 1 0 199.338 2.293 10 0 AEAERO CC[NH2+]C/C(=C/C1CC1)CC 211727771 571960313 /nfs/dbraw/zinc/96/03/13/571960313.db2.gz OIMMEOFNTKPMDO-VQHVLOKHSA-N 1 0 153.269 2.342 10 0 AEAERO C1=C[C@H](C[C@@H]2CCCC[NH2+]2)CC1 687815573 571961234 /nfs/dbraw/zinc/96/12/34/571961234.db2.gz BRBZXOYUJLBGOI-QWRGUYRKSA-N 1 0 165.280 2.485 10 0 AEAERO CCSc1ccc(C[NH3+])s1 31893624 571960409 /nfs/dbraw/zinc/96/04/09/571960409.db2.gz YVIMKFGRNUTDLZ-UHFFFAOYSA-N 1 0 173.306 2.319 10 0 AEAERO Cc1csc(C[C@@](C)([NH3+])C2CC2)n1 687689138 571960411 /nfs/dbraw/zinc/96/04/11/571960411.db2.gz LCJIOLPMNHHXNO-SNVBAGLBSA-N 1 0 196.319 2.121 10 0 AEAERO [NH3+][C@@H]1CC=C(c2ccsn2)CC1 687688594 571960589 /nfs/dbraw/zinc/96/05/89/571960589.db2.gz BGRIJZHWZPBOKH-MRVPVSSYSA-N 1 0 180.276 2.038 10 0 AEAERO [NH3+][C@@H](Cc1ncccc1Cl)C1CC1 71004712 571960654 /nfs/dbraw/zinc/96/06/54/571960654.db2.gz SKAIBXQGDNAZCL-VIFPVBQESA-N 1 0 196.681 2.015 10 0 AEAERO C1=C[C@@H](C[C@@H]2CCCC[NH2+]2)CC1 687815572 571960707 /nfs/dbraw/zinc/96/07/07/571960707.db2.gz BRBZXOYUJLBGOI-MNOVXSKESA-N 1 0 165.280 2.485 10 0 AEAERO CC[C@H]([NH3+])c1c(C)nc2ccccn12 31911974 571960826 /nfs/dbraw/zinc/96/08/26/571960826.db2.gz YXPJMZPLYGSTLF-VIFPVBQESA-N 1 0 189.262 2.053 10 0 AEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1COC1 401606175 571960835 /nfs/dbraw/zinc/96/08/35/571960835.db2.gz FTIFDNDOVSPDOI-GHMZBOCLSA-N 1 0 197.322 2.191 10 0 AEAERO CC(C)C[C@H]1CSC(NC2CC2)=[NH+]1 40795232 571960874 /nfs/dbraw/zinc/96/08/74/571960874.db2.gz OPPYUFZJWPBHPB-VIFPVBQESA-N 1 0 198.335 2.256 10 0 AEAERO FC(F)C(F)(F)CC[NH2+]C1CC1 393338493 571960892 /nfs/dbraw/zinc/96/08/92/571960892.db2.gz ORUNZINIRVCPMJ-UHFFFAOYSA-N 1 0 185.164 2.029 10 0 AEAERO Cc1nc(C[C@](C)([NH3+])C2CC2)cs1 687689196 571960898 /nfs/dbraw/zinc/96/08/98/571960898.db2.gz PEBUEOXPFRUJPB-JTQLQIEISA-N 1 0 196.319 2.121 10 0 AEAERO CCC[NH2+][C@H](CSC)C1CC1 80362794 571960965 /nfs/dbraw/zinc/96/09/65/571960965.db2.gz 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CC[C@@H]([NH3+])[C@@H](C)n1nc(C)c(C)c1C 40729480 571961215 /nfs/dbraw/zinc/96/12/15/571961215.db2.gz BCWKNVZJBMADNJ-GHMZBOCLSA-N 1 0 195.310 2.107 10 0 AEAERO C1=C[C@@H](C[C@H]2CCCC[NH2+]2)CC1 687815571 571961637 /nfs/dbraw/zinc/96/16/37/571961637.db2.gz BRBZXOYUJLBGOI-GHMZBOCLSA-N 1 0 165.280 2.485 10 0 AEAERO CCC(CC)COC[C@H](C)C[NH2+]C 300820550 571961835 /nfs/dbraw/zinc/96/18/35/571961835.db2.gz FSMUDFWYLHABMJ-SNVBAGLBSA-N 1 0 187.327 2.295 10 0 AEAERO CC[C@@H]([NH3+])C(=O)c1ccc(F)c(C)c1 32009196 571961890 /nfs/dbraw/zinc/96/18/90/571961890.db2.gz GQJCTIKMZPCHCH-SNVBAGLBSA-N 1 0 195.237 2.054 10 0 AEAERO CCCC[C@@H](CC)C[C@@H](O)CC[NH3+] 80392930 571962524 /nfs/dbraw/zinc/96/25/24/571962524.db2.gz VABCMEMBMKISSX-MNOVXSKESA-N 1 0 187.327 2.303 10 0 AEAERO CCC[NH2+][C@@H](CSC)C1CC1 80362792 571961971 /nfs/dbraw/zinc/96/19/71/571961971.db2.gz JDBVQRVZUYDBOP-VIFPVBQESA-N 1 0 173.325 2.128 10 0 AEAERO COC[C@@H]1C[C@H]([NH3+])[C@H](CC(C)(C)C)C1 713157362 571961977 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/nfs/dbraw/zinc/98/06/21/571980621.db2.gz DBUCFPWHHPQHNS-JTQLQIEISA-N 1 0 195.310 2.024 10 0 AEAERO CC[C@@H](C[NH3+])c1cc(F)cc(F)c1 41202993 571980747 /nfs/dbraw/zinc/98/07/47/571980747.db2.gz GOAMHTPFWVCPKU-ZETCQYMHSA-N 1 0 185.217 2.417 10 0 AEAERO C[C@@H]1C[C@H](C[NH3+])c2cc(F)ccc21 41200818 571980766 /nfs/dbraw/zinc/98/07/66/571980766.db2.gz MEPKTAQNKGGHQW-HTQZYQBOSA-N 1 0 179.238 2.375 10 0 AEAERO CCOc1cc(C)c(C[NH3+])cc1C 41201002 571980767 /nfs/dbraw/zinc/98/07/67/571980767.db2.gz RBJAHYPBHVVLLP-UHFFFAOYSA-N 1 0 179.263 2.161 10 0 AEAERO CC[N@H+](CCN)[C@H]1CC(C)(C)C[C@@H]1C 300839431 571980793 /nfs/dbraw/zinc/98/07/93/571980793.db2.gz QKFTWXIZSCBNDU-QWRGUYRKSA-N 1 0 198.354 2.092 10 0 AEAERO CCc1nc(CCC(C)C)oc1C[NH3+] 400716710 571980797 /nfs/dbraw/zinc/98/07/97/571980797.db2.gz VKPAOOLFMTUPLV-UHFFFAOYSA-N 1 0 196.294 2.284 10 0 AEAERO C[C@H]1C[C@H](C[NH3+])c2cc(F)ccc21 41200821 571980870 /nfs/dbraw/zinc/98/08/70/571980870.db2.gz MEPKTAQNKGGHQW-JGVFFNPUSA-N 1 0 179.238 2.375 10 0 AEAERO CC(C)C[C@H](C)C[C@H]1C[NH2+]CCC1=O 300837913 571980921 /nfs/dbraw/zinc/98/09/21/571980921.db2.gz CVNDFKSASIDOBA-QWRGUYRKSA-N 1 0 197.322 2.237 10 0 AEAERO Cc1cccc([C@@H](C[NH3+])C2CC2)c1 41199314 571980998 /nfs/dbraw/zinc/98/09/98/571980998.db2.gz JDMGDAHZRVVBDA-LBPRGKRZSA-N 1 0 175.275 2.447 10 0 AEAERO Cc1ccc(C2(CC[NH3+])CC2)cc1 41199286 571981452 /nfs/dbraw/zinc/98/14/52/571981452.db2.gz UVYFPOFCODGLJQ-UHFFFAOYSA-N 1 0 175.275 2.375 10 0 AEAERO Cc1ccc2c(c1)[C@@H](C[NH3+])CCC2 41199385 571981479 /nfs/dbraw/zinc/98/14/79/571981479.db2.gz JGCUWIGOHJHTOQ-LLVKDONJSA-N 1 0 175.275 2.374 10 0 AEAERO CC1(C)C[C@H](C[NH3+])c2ccccc21 41199399 571981501 /nfs/dbraw/zinc/98/15/01/571981501.db2.gz XDZKUKACZSAIPN-SECBINFHSA-N 1 0 175.275 2.410 10 0 AEAERO C[C@H](O)CC[NH2+]CCCC(C)(C)C 300840048 571981534 /nfs/dbraw/zinc/98/15/34/571981534.db2.gz JORSGDPIFPJJMY-JTQLQIEISA-N 1 0 187.327 2.173 10 0 AEAERO Cc1cccc([C@H](C[NH3+])C2CC2)c1 41199317 571981617 /nfs/dbraw/zinc/98/16/17/571981617.db2.gz 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41199283 571981862 /nfs/dbraw/zinc/98/18/62/571981862.db2.gz CFCHQFVXVAHPCK-UHFFFAOYSA-N 1 0 175.275 2.375 10 0 AEAERO CC(C)C[C@H](C)C[C@@H]1C[NH2+]CCC1=O 300837914 571981886 /nfs/dbraw/zinc/98/18/86/571981886.db2.gz CVNDFKSASIDOBA-WDEREUQCSA-N 1 0 197.322 2.237 10 0 AEAERO CC[N@H+](CCN)[C@@H]1CC[C@H](C)C[C@@H]1C 300838056 571981920 /nfs/dbraw/zinc/98/19/20/571981920.db2.gz QDNXNKIHBIKERM-SDDRHHMPSA-N 1 0 198.354 2.092 10 0 AEAERO C[C@H](n1cc[nH+]c1N)C(C)(C)C 235548804 571981998 /nfs/dbraw/zinc/98/19/98/571981998.db2.gz XDQRNMSHCOCLKK-ZETCQYMHSA-N 1 0 167.256 2.072 10 0 AEAERO C[NH2+]C[C@@](C)(O)CCCC(C)(C)C 300842772 571982037 /nfs/dbraw/zinc/98/20/37/571982037.db2.gz KAJDTCVUPQMTSA-NSHDSACASA-N 1 0 187.327 2.173 10 0 AEAERO CC(C)C[C@@H](C)C[C@@H]1C[NH2+]CCC1=O 300837911 571982045 /nfs/dbraw/zinc/98/20/45/571982045.db2.gz CVNDFKSASIDOBA-GHMZBOCLSA-N 1 0 197.322 2.237 10 0 AEAERO CC[N@H+](CCN)[C@@H]1CC[C@@H](C)C[C@@H]1C 300838048 571982053 /nfs/dbraw/zinc/98/20/53/571982053.db2.gz 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C[NH2+][C@H](CC(C)(C)C)C1CCOCC1 68957964 572011270 /nfs/dbraw/zinc/01/12/70/572011270.db2.gz DADMAMGSRKFCPQ-LLVKDONJSA-N 1 0 199.338 2.437 10 0 AEAERO Cc1ccc([C@H]([NH3+])CC(C)(C)C)nn1 713191544 572011524 /nfs/dbraw/zinc/01/15/24/572011524.db2.gz ULMPBVCZLWGHCT-SECBINFHSA-N 1 0 193.294 2.221 10 0 AEAERO Cc1occc1SC[C@H]([NH3+])C1CC1 235826525 572011450 /nfs/dbraw/zinc/01/14/50/572011450.db2.gz NMWGNVZWTRXDLI-VIFPVBQESA-N 1 0 197.303 2.417 10 0 AEAERO Cc1ccc([C@@H]([NH3+])CC(C)(C)C)nn1 713191554 572011530 /nfs/dbraw/zinc/01/15/30/572011530.db2.gz ULMPBVCZLWGHCT-VIFPVBQESA-N 1 0 193.294 2.221 10 0 AEAERO CCCC[C@@](CC)(CN)[NH2+]CCC 68988361 572011609 /nfs/dbraw/zinc/01/16/09/572011609.db2.gz RVJPZSDJZBYSRV-NSHDSACASA-N 1 0 186.343 2.284 10 0 AEAERO CC[N@H+](CCCC[C@H](C)O)CC1CC1 68947866 572011763 /nfs/dbraw/zinc/01/17/63/572011763.db2.gz MHADLVLVJWQDNA-NSHDSACASA-N 1 0 199.338 2.269 10 0 AEAERO CC[N@H+](CCCCC(C)=O)CC1CC1 68947526 572011792 /nfs/dbraw/zinc/01/17/92/572011792.db2.gz LQQXOSKQMIIFMT-UHFFFAOYSA-N 1 0 197.322 2.478 10 0 AEAERO CCCC[C@](CC)(CN)[N@H+](C)C1CC1 68988160 572011798 /nfs/dbraw/zinc/01/17/98/572011798.db2.gz MZDIGGMJHXBVDU-GFCCVEGCSA-N 1 0 198.354 2.378 10 0 AEAERO CCCC[C@H](C)[C@H]([NH3+])c1cnn(C)c1 300882853 572011804 /nfs/dbraw/zinc/01/18/04/572011804.db2.gz GIJXEFLSDUFFED-ONGXEEELSA-N 1 0 195.310 2.246 10 0 AEAERO CCCC[C@@]([NH3+])(CC)c1noc(C)n1 68989155 572011809 /nfs/dbraw/zinc/01/18/09/572011809.db2.gz RWDBYUFPGKJLNK-JTQLQIEISA-N 1 0 197.282 2.132 10 0 AEAERO CC[NH2+][C@H](COC)[C@@H]1CCC[C@H]1C 300231872 572011836 /nfs/dbraw/zinc/01/18/36/572011836.db2.gz FBGHGHWPXJAACU-GMTAPVOTSA-N 1 0 185.311 2.047 10 0 AEAERO CC[N@H+](CC1CC1)C[C@@](C)(CC)CO 68948449 572011929 /nfs/dbraw/zinc/01/19/29/572011929.db2.gz CPPJWRGIEUPFOX-GFCCVEGCSA-N 1 0 199.338 2.127 10 0 AEAERO [NH3+]C[C@@H](F)CCc1cccc(F)c1 219647024 572012086 /nfs/dbraw/zinc/01/20/86/572012086.db2.gz KPQUIQGJOJAHPK-JTQLQIEISA-N 1 0 185.217 2.055 10 0 AEAERO C[NH2+]C1CC(c2cccc(F)c2F)C1 234367921 572011952 /nfs/dbraw/zinc/01/19/52/572011952.db2.gz HOBAWWPHISXPIY-UHFFFAOYSA-N 1 0 197.228 2.430 10 0 AEAERO CCCC[C@@](CC)(CN)[NH+]1CCCC1 68988034 572011959 /nfs/dbraw/zinc/01/19/59/572011959.db2.gz PAFIYIRXNHIFIJ-LBPRGKRZSA-N 1 0 198.354 2.380 10 0 AEAERO CC[C@H](C)[C@H](N)C[N@H+](CC)CC1CC1 68947630 572011979 /nfs/dbraw/zinc/01/19/79/572011979.db2.gz SJJURLACAKXEAO-CMPLNLGQSA-N 1 0 198.354 2.092 10 0 AEAERO CC[N@H+](CC1CC1)C[C@H]1CCCC1=O 68948314 572011997 /nfs/dbraw/zinc/01/19/97/572011997.db2.gz HUWVARIBVQBWEG-LLVKDONJSA-N 1 0 195.306 2.088 10 0 AEAERO CCCC[C@](CC)(CN)[NH2+]C1CC1 68988378 572012438 /nfs/dbraw/zinc/01/24/38/572012438.db2.gz AMKOGCQXGBOOJF-LLVKDONJSA-N 1 0 184.327 2.036 10 0 AEAERO CCCC[C@](CC)(CN)[NH2+]CCC 68988365 572012275 /nfs/dbraw/zinc/01/22/75/572012275.db2.gz RVJPZSDJZBYSRV-LLVKDONJSA-N 1 0 186.343 2.284 10 0 AEAERO CC(C)CC[NH2+][C@@H](C)CN1CCCC1 42371895 572012296 /nfs/dbraw/zinc/01/22/96/572012296.db2.gz RWUHWRGPZBRTPX-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO CCCC[C@@H](N)C[N@H+](CC)CC1CC1 68947640 572012495 /nfs/dbraw/zinc/01/24/95/572012495.db2.gz QRYANZRKOHWIJB-GFCCVEGCSA-N 1 0 198.354 2.236 10 0 AEAERO CCCOC[C@H]([NH2+]C)[C@H]1CCC[C@H]1C 300231038 572012502 /nfs/dbraw/zinc/01/25/02/572012502.db2.gz AQPABIPXLGVMCT-WOPDTQHZSA-N 1 0 199.338 2.437 10 0 AEAERO Cc1cccc([C@H](C[NH3+])C(F)F)c1 219648509 572012515 /nfs/dbraw/zinc/01/25/15/572012515.db2.gz ZKSOBGDGMNXZDZ-VIFPVBQESA-N 1 0 185.217 2.302 10 0 AEAERO CCCC[C@H](CC)[NH2+]Cc1cn[nH]c1 68986784 572012647 /nfs/dbraw/zinc/01/26/47/572012647.db2.gz KVYUBZKZXNWDCI-NSHDSACASA-N 1 0 195.310 2.468 10 0 AEAERO CCCC[C@H](CC)N(C)[C@@H]1CC[NH2+]C1 68989019 572012672 /nfs/dbraw/zinc/01/26/72/572012672.db2.gz LTJCGDMGMCITGL-NWDGAFQWSA-N 1 0 198.354 2.249 10 0 AEAERO CC(C)[C@@H](O)C[NH2+]CCC1=CCCC1 300883178 572012678 /nfs/dbraw/zinc/01/26/78/572012678.db2.gz NDLORJSBKBYNHV-LBPRGKRZSA-N 1 0 197.322 2.093 10 0 AEAERO CC[N@H+](CC1CC1)[C@H]1CCCCC1=O 68947498 572012719 /nfs/dbraw/zinc/01/27/19/572012719.db2.gz HOBYJFBLZQJSOT-NSHDSACASA-N 1 0 195.306 2.230 10 0 AEAERO CC[C@@H](C)[C@@H](N)C[N@H+](CC)CC1CC1 68947632 572012741 /nfs/dbraw/zinc/01/27/41/572012741.db2.gz SJJURLACAKXEAO-PWSUYJOCSA-N 1 0 198.354 2.092 10 0 AEAERO CCCC[C@@H](CC)[NH2+]Cc1cn[nH]c1 68986782 572012770 /nfs/dbraw/zinc/01/27/70/572012770.db2.gz KVYUBZKZXNWDCI-LLVKDONJSA-N 1 0 195.310 2.468 10 0 AEAERO CCCC[C@]([NH3+])(CC)c1noc(C)n1 68989157 572012828 /nfs/dbraw/zinc/01/28/28/572012828.db2.gz RWDBYUFPGKJLNK-SNVBAGLBSA-N 1 0 197.282 2.132 10 0 AEAERO CC[NH2+][C@H](C)[C@H](C)[C@H]1CCCOC1 300230978 572012835 /nfs/dbraw/zinc/01/28/35/572012835.db2.gz FNNYGWUTJOKVBQ-AXFHLTTASA-N 1 0 185.311 2.047 10 0 AEAERO CC1([NH2+]C[C@H]2CCCCO2)CCCC1 42375824 572013777 /nfs/dbraw/zinc/01/37/77/572013777.db2.gz XJFZVCUOXMVLFN-LLVKDONJSA-N 1 0 197.322 2.478 10 0 AEAERO CCCC[C@@](CC)(CN)[N@H+](C)C1CC1 68988157 572012870 /nfs/dbraw/zinc/01/28/70/572012870.db2.gz MZDIGGMJHXBVDU-LBPRGKRZSA-N 1 0 198.354 2.378 10 0 AEAERO CCCC[C@](CC)(CN)[NH+]1CCCC1 68988038 572012912 /nfs/dbraw/zinc/01/29/12/572012912.db2.gz PAFIYIRXNHIFIJ-GFCCVEGCSA-N 1 0 198.354 2.380 10 0 AEAERO Cc1c(C[NH3+])cnn1C1CCCCC1 42355983 572012920 /nfs/dbraw/zinc/01/29/20/572012920.db2.gz IICXXPNFFKMXEA-UHFFFAOYSA-N 1 0 193.294 2.155 10 0 AEAERO CNc1[nH+]ccn1-c1ccccc1C 234511703 572012929 /nfs/dbraw/zinc/01/29/29/572012929.db2.gz HCVALGNWJZCOGC-UHFFFAOYSA-N 1 0 187.246 2.222 10 0 AEAERO CC1([NH2+]C[C@@H]2CCCCO2)CCCC1 42375823 572012940 /nfs/dbraw/zinc/01/29/40/572012940.db2.gz XJFZVCUOXMVLFN-NSHDSACASA-N 1 0 197.322 2.478 10 0 AEAERO CCC[C@H](C[NH3+])[C@H](O)[C@@H]1CCC[C@H]1C 300231215 572013203 /nfs/dbraw/zinc/01/32/03/572013203.db2.gz BIRNBGAKWMSLRJ-KKOKHZNYSA-N 1 0 199.338 2.159 10 0 AEAERO Cc1ccccc1[C@H](C[NH3+])C(F)F 219648872 572012987 /nfs/dbraw/zinc/01/29/87/572012987.db2.gz LPXMCFYLHUCKFX-VIFPVBQESA-N 1 0 185.217 2.302 10 0 AEAERO C[NH2+]C[C@H]1C[C@H]1c1cc(F)ccc1C 234370277 572012963 /nfs/dbraw/zinc/01/29/63/572012963.db2.gz KPDWQWOLPPJGAT-BXKDBHETSA-N 1 0 193.265 2.457 10 0 AEAERO CC[N@H+](CC1CC1)C[C@](C)(CC)CO 68948447 572012977 /nfs/dbraw/zinc/01/29/77/572012977.db2.gz CPPJWRGIEUPFOX-LBPRGKRZSA-N 1 0 199.338 2.127 10 0 AEAERO CCCC[C@@](CC)(CO)[NH2+]CCC 68989309 572013022 /nfs/dbraw/zinc/01/30/22/572013022.db2.gz OOFQPLZTOMPRBS-NSHDSACASA-N 1 0 187.327 2.317 10 0 AEAERO CC(C)COCC[C@@H]1CCCC[NH2+]1 34972553 572013068 /nfs/dbraw/zinc/01/30/68/572013068.db2.gz OAQVIDIWYCIPJB-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+][C@H](C)C2(C)CC2)CO1 402114220 572013150 /nfs/dbraw/zinc/01/31/50/572013150.db2.gz CJCRBFHKGQZQJH-MXWKQRLJSA-N 1 0 197.322 2.332 10 0 AEAERO C[C@@H]1CC[C@@H]([NH2+][C@H](C)C2(C)CC2)CO1 402114218 572013157 /nfs/dbraw/zinc/01/31/57/572013157.db2.gz CJCRBFHKGQZQJH-GMTAPVOTSA-N 1 0 197.322 2.332 10 0 AEAERO CCC[C@](C)(N)C[N@H+](CC)CC1CC1 68947571 572013104 /nfs/dbraw/zinc/01/31/04/572013104.db2.gz SJZIVDQUXWCCGB-LBPRGKRZSA-N 1 0 198.354 2.236 10 0 AEAERO CCCC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 393454749 572013199 /nfs/dbraw/zinc/01/31/99/572013199.db2.gz BEYHVDHBXUDZIF-ZYHUDNBSSA-N 1 0 195.306 2.230 10 0 AEAERO CCCC[C@@](CC)(CN)[NH2+]C1CC1 68988374 572013593 /nfs/dbraw/zinc/01/35/93/572013593.db2.gz AMKOGCQXGBOOJF-NSHDSACASA-N 1 0 184.327 2.036 10 0 AEAERO CC[N@H+](CC1CC1)C[C@@H]1CCCC1=O 68948312 572013295 /nfs/dbraw/zinc/01/32/95/572013295.db2.gz HUWVARIBVQBWEG-NSHDSACASA-N 1 0 195.306 2.088 10 0 AEAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(F)ccc1C 234368848 572013296 /nfs/dbraw/zinc/01/32/96/572013296.db2.gz KPDWQWOLPPJGAT-SKDRFNHKSA-N 1 0 193.265 2.457 10 0 AEAERO C[C@H]([NH2+]C1CC1)[C@H](C)[C@H]1CCCOC1 300231444 572013313 /nfs/dbraw/zinc/01/33/13/572013313.db2.gz HOTCPENDMFTNBD-DCAQKATOSA-N 1 0 197.322 2.190 10 0 AEAERO CC[NH2+][C@H](C)[C@@H](C)[C@H]1CCCOC1 300230979 572013328 /nfs/dbraw/zinc/01/33/28/572013328.db2.gz FNNYGWUTJOKVBQ-MXWKQRLJSA-N 1 0 185.311 2.047 10 0 AEAERO CCC[C@H](C[NH3+])[C@H](O)[C@H]1CCC[C@H]1C 300231220 572013349 /nfs/dbraw/zinc/01/33/49/572013349.db2.gz BIRNBGAKWMSLRJ-WYUUTHIRSA-N 1 0 199.338 2.159 10 0 AEAERO CCCC[C@](CC)(CO)[NH2+]C1CC1 68989332 572013367 /nfs/dbraw/zinc/01/33/67/572013367.db2.gz XOMJJJXWXHJIFR-LLVKDONJSA-N 1 0 185.311 2.070 10 0 AEAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(F)cc(F)c1 234368822 572013383 /nfs/dbraw/zinc/01/33/83/572013383.db2.gz HZKTXOILKQDOLE-LDYMZIIASA-N 1 0 197.228 2.288 10 0 AEAERO CC[C@@H](C)[C@H](N)C[N@H+](CC)CC1CC1 68947628 572013388 /nfs/dbraw/zinc/01/33/88/572013388.db2.gz SJJURLACAKXEAO-ZYHUDNBSSA-N 1 0 198.354 2.092 10 0 AEAERO CC[C@H](C)[NH2+]CCN(CC)CC1CC1 68947656 572013402 /nfs/dbraw/zinc/01/34/02/572013402.db2.gz CUBKOXWRYOPOMH-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO C[NH2+]Cc1ccccc1-c1ccc[nH]1 234367488 572013430 /nfs/dbraw/zinc/01/34/30/572013430.db2.gz MCXWTPUZEGSOMQ-UHFFFAOYSA-N 1 0 186.258 2.401 10 0 AEAERO CCCC[C@](CC)(CN)[NH2+]C(C)C 68988371 572013503 /nfs/dbraw/zinc/01/35/03/572013503.db2.gz FUVMMQUURSTYDR-LLVKDONJSA-N 1 0 186.343 2.282 10 0 AEAERO C[NH2+][C@@H]([C@@H](C)C1CC1)[C@H]1CCCOC1 300231557 572013527 /nfs/dbraw/zinc/01/35/27/572013527.db2.gz HULZWZIWCIMRHK-DLOVCJGASA-N 1 0 197.322 2.047 10 0 AEAERO C1CC[C@@H](CCC[NH2+]C2CC2)OC1 68991651 572013532 /nfs/dbraw/zinc/01/35/32/572013532.db2.gz YNSSIQVTMZSONR-NSHDSACASA-N 1 0 183.295 2.088 10 0 AEAERO CC[C@H](C)[C@@H](N)C[N@H+](CC)CC1CC1 68947634 572013536 /nfs/dbraw/zinc/01/35/36/572013536.db2.gz SJJURLACAKXEAO-JQWIXIFHSA-N 1 0 198.354 2.092 10 0 AEAERO CCCC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 393454746 572013549 /nfs/dbraw/zinc/01/35/49/572013549.db2.gz BEYHVDHBXUDZIF-PWSUYJOCSA-N 1 0 195.306 2.230 10 0 AEAERO CCC[C@H]([NH3+])CCc1ccccc1O 114249693 572013646 /nfs/dbraw/zinc/01/36/46/572013646.db2.gz CIMZYJGWZAUCSF-NSHDSACASA-N 1 0 193.290 2.452 10 0 AEAERO CC[N@@H+](CC(=O)C(C)(C)C)CC1CC1 68947487 572013723 /nfs/dbraw/zinc/01/37/23/572013723.db2.gz IBMQPWXAIZTERK-UHFFFAOYSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@H]([C@H]1CCCOC1)[C@H](C)C1CC1 300231558 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CC[NH2+][C@H](c1ccnn1C)[C@@H](C)CC 69021785 572023850 /nfs/dbraw/zinc/02/38/50/572023850.db2.gz RPLFNZBFITVSQH-ONGXEEELSA-N 1 0 195.310 2.117 10 0 AEAERO C[NH2+][C@H](CC(C)(C)C)c1ccnn1C 69021835 572023853 /nfs/dbraw/zinc/02/38/53/572023853.db2.gz KNPWISWCPLHLEE-SECBINFHSA-N 1 0 195.310 2.117 10 0 AEAERO CC[NH2+][C@@H](c1ccnn1C)[C@H](C)CC 69021788 572023892 /nfs/dbraw/zinc/02/38/92/572023892.db2.gz RPLFNZBFITVSQH-MWLCHTKSSA-N 1 0 195.310 2.117 10 0 AEAERO CC[NH2+][C@H](CC(C)C)[C@H]1CCOC1 82456889 572023920 /nfs/dbraw/zinc/02/39/20/572023920.db2.gz BHACWWRXZPIENZ-WDEREUQCSA-N 1 0 185.311 2.047 10 0 AEAERO CCC[NH2+][C@@H](C(C)C)[C@H]1CCOC1 82456905 572023957 /nfs/dbraw/zinc/02/39/57/572023957.db2.gz BECZPANMIUKEME-QWRGUYRKSA-N 1 0 185.311 2.047 10 0 AEAERO CCC[NH2+][C@H](CCC)c1ccnn1C 69020941 572023987 /nfs/dbraw/zinc/02/39/87/572023987.db2.gz AYIUPWGSFJJKLH-SNVBAGLBSA-N 1 0 195.310 2.261 10 0 AEAERO CCC[NH2+][C@H]([C@@H]1CCOC1)C(C)(C)C 82456983 572023997 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AEAERO CC[NH2+][C@@H](c1ccnn1C)C(C)(C)C 69020981 572024137 /nfs/dbraw/zinc/02/41/37/572024137.db2.gz IDNTUOGINYQXCS-JTQLQIEISA-N 1 0 195.310 2.117 10 0 AEAERO CCC[NH2+][C@@H](CCC)c1cnn(C)c1 35584146 572024268 /nfs/dbraw/zinc/02/42/68/572024268.db2.gz HQLNERTYQHBJPD-NSHDSACASA-N 1 0 195.310 2.261 10 0 AEAERO CCC[NH2+][C@H](CC(C)C)[C@H]1CCOC1 82456893 572024340 /nfs/dbraw/zinc/02/43/40/572024340.db2.gz OOYPJTWLKKEBLX-NWDGAFQWSA-N 1 0 199.338 2.437 10 0 AEAERO CC[NH2+][C@@H](C1CCCC1)[C@@H]1CCOC1 82457026 572024369 /nfs/dbraw/zinc/02/43/69/572024369.db2.gz QKTPTWOVQZWJRF-NEPJUHHUSA-N 1 0 197.322 2.191 10 0 AEAERO CCC[NH2+][C@@H](CCC)Cc1ncc[nH]1 35586368 572024417 /nfs/dbraw/zinc/02/44/17/572024417.db2.gz GCRPLDGMZUMRLF-JTQLQIEISA-N 1 0 195.310 2.121 10 0 AEAERO CC[C@](C)(O)C[NH2+]C[C@@H]1CCC[C@H]1C 300244242 572024462 /nfs/dbraw/zinc/02/44/62/572024462.db2.gz WOUXRPCMYVVWSV-WOPDTQHZSA-N 1 0 199.338 2.173 10 0 AEAERO C[NH2+][C@@H](COCCCC1CC1)C(C)C 711573834 572024469 /nfs/dbraw/zinc/02/44/69/572024469.db2.gz XCQHAXWUZMWUEQ-LBPRGKRZSA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)C[C@H](C)C[C@H]1COCC[C@@H]1[NH3+] 300893565 572025656 /nfs/dbraw/zinc/02/56/56/572025656.db2.gz KDPMMGZIINPOGP-SRVKXCTJSA-N 1 0 199.338 2.423 10 0 AEAERO CCC(C)(C)C[C@](C)(O)[C@@H]1CCC[NH2+]1 713200714 572024645 /nfs/dbraw/zinc/02/46/45/572024645.db2.gz VPRVJOIPECHXBO-JQWIXIFHSA-N 1 0 199.338 2.316 10 0 AEAERO Cc1cn([C@@H]2C[C@@H]2C)c(NC2CC2)[nH+]1 235581998 572024646 /nfs/dbraw/zinc/02/46/46/572024646.db2.gz HFULPZBBNQYKER-OIBJUYFYSA-N 1 0 191.278 2.347 10 0 AEAERO CC(C)C[C@H](C)C[C@@]1(O)CC[C@@H]([NH3+])C1 300891537 572024656 /nfs/dbraw/zinc/02/46/56/572024656.db2.gz JXMJUEKZBVSUGH-TUAOUCFPSA-N 1 0 199.338 2.301 10 0 AEAERO C[C@@H]1C[C@H]1Nc1cnnc2ccccc12 82461902 572024659 /nfs/dbraw/zinc/02/46/59/572024659.db2.gz GYFSZMYNPUXBKM-LDYMZIIASA-N 1 0 199.257 2.450 10 0 AEAERO CCC[N@@H+](CC1CC1)C[C@H](N)C(C)C 42491174 572024674 /nfs/dbraw/zinc/02/46/74/572024674.db2.gz 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CCC[NH2+][C@@H](CC(C)C)[C@@H]1CCOC1 82456890 572024966 /nfs/dbraw/zinc/02/49/66/572024966.db2.gz OOYPJTWLKKEBLX-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)C[C@H](C)C[C@H]1COCC[C@H]1[NH3+] 300893561 572024980 /nfs/dbraw/zinc/02/49/80/572024980.db2.gz KDPMMGZIINPOGP-SDDRHHMPSA-N 1 0 199.338 2.423 10 0 AEAERO C[C@H]1C[C@@H]1Nc1cnnc2ccccc12 82461901 572025003 /nfs/dbraw/zinc/02/50/03/572025003.db2.gz GYFSZMYNPUXBKM-KWQFWETISA-N 1 0 199.257 2.450 10 0 AEAERO CC[NH2+][C@@H](CC(C)C)[C@H]1CCOC1 82456888 572025044 /nfs/dbraw/zinc/02/50/44/572025044.db2.gz BHACWWRXZPIENZ-QWRGUYRKSA-N 1 0 185.311 2.047 10 0 AEAERO CCC[NH2+][C@@H]([C@H]1CCOC1)C(C)(C)C 82456984 572025128 /nfs/dbraw/zinc/02/51/28/572025128.db2.gz YXPRWWVOIAAHEL-QWRGUYRKSA-N 1 0 199.338 2.437 10 0 AEAERO CCCCC[C@](C)(C[NH3+])[NH+]1CCCC1 82390069 572025144 /nfs/dbraw/zinc/02/51/44/572025144.db2.gz BDEHQDGNQBBVAL-GFCCVEGCSA-N 1 0 198.354 2.380 10 0 AEAERO C[C@H]1CCC[C@H]([N@H+](C)C(C)(C)CN)C1 42492485 572025156 /nfs/dbraw/zinc/02/51/56/572025156.db2.gz QXCSUJVHGHELPN-QWRGUYRKSA-N 1 0 198.354 2.234 10 0 AEAERO CCC[NH2+][C@H](C(C)C)[C@H]1CCOC1 82456904 572025208 /nfs/dbraw/zinc/02/52/08/572025208.db2.gz BECZPANMIUKEME-WDEREUQCSA-N 1 0 185.311 2.047 10 0 AEAERO CC(C)[C@H](O)C[NH2+]CC1(C)CCCC1 300892291 572025211 /nfs/dbraw/zinc/02/52/11/572025211.db2.gz OSCLMGFEVLGPCC-LLVKDONJSA-N 1 0 199.338 2.173 10 0 AEAERO CCC(CC)[C@H]([NH3+])CC 33605669 572025222 /nfs/dbraw/zinc/02/52/22/572025222.db2.gz GCGOMJYOFWJKSE-MRVPVSSYSA-N 1 0 129.247 2.160 10 0 AEAERO CCC[NH2+][C@H](C(C)C)[C@@H]1CCOC1 82456902 572025243 /nfs/dbraw/zinc/02/52/43/572025243.db2.gz BECZPANMIUKEME-GHMZBOCLSA-N 1 0 185.311 2.047 10 0 AEAERO C[NH2+][C@H](CCC(C)C)[C@@H]1CCOC1 82457079 572025329 /nfs/dbraw/zinc/02/53/29/572025329.db2.gz WXSICFXMXRQKNO-GHMZBOCLSA-N 1 0 185.311 2.047 10 0 AEAERO CCCC[C@@H](CC)C[C@]1(O)CC[NH2+]C1 82462519 572025371 /nfs/dbraw/zinc/02/53/71/572025371.db2.gz FOYYRKUUIWDPLM-VXGBXAGGSA-N 1 0 199.338 2.317 10 0 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/nfs/dbraw/zinc/02/55/57/572025557.db2.gz NQLVDFCUJUCQNR-UHFFFAOYSA-N 1 0 197.322 2.478 10 0 AEAERO C[NH2+][C@H](CCC(C)C)[C@H]1CCOC1 82457081 572025615 /nfs/dbraw/zinc/02/56/15/572025615.db2.gz WXSICFXMXRQKNO-WDEREUQCSA-N 1 0 185.311 2.047 10 0 AEAERO CC(C)C[C@H](C)C[C@@H]1COCC[C@H]1[NH3+] 300893558 572025619 /nfs/dbraw/zinc/02/56/19/572025619.db2.gz KDPMMGZIINPOGP-QJPTWQEYSA-N 1 0 199.338 2.423 10 0 AEAERO CC(C)C[C@H](C)C[C@@H]1COCC[C@@H]1[NH3+] 300893567 572025697 /nfs/dbraw/zinc/02/56/97/572025697.db2.gz KDPMMGZIINPOGP-TUAOUCFPSA-N 1 0 199.338 2.423 10 0 AEAERO CCC[NH2+][C@H](CCC)Cc1ncc[nH]1 35586370 572025737 /nfs/dbraw/zinc/02/57/37/572025737.db2.gz GCRPLDGMZUMRLF-SNVBAGLBSA-N 1 0 195.310 2.121 10 0 AEAERO CC(C)(C)C[C@H](C[NH3+])n1cccc1 393468190 572025783 /nfs/dbraw/zinc/02/57/83/572025783.db2.gz JFKXELGKXBJXQD-SNVBAGLBSA-N 1 0 180.295 2.424 10 0 AEAERO C[C@@H]1CC[C@H](C[NH2+]C[C@H]2CCOC2)C1 300243701 572025816 /nfs/dbraw/zinc/02/58/16/572025816.db2.gz UGELUQZGDSETPH-GRYCIOLGSA-N 1 0 197.322 2.049 10 0 AEAERO CCC(C)(C)C[N@H+](C)C[C@H]1C[C@@H](O)C1 713199357 572026036 /nfs/dbraw/zinc/02/60/36/572026036.db2.gz NSXGYBGEIVUWIO-PHIMTYICSA-N 1 0 199.338 2.125 10 0 AEAERO CCc1nc(C)sc1C[NH2+]C1CC1 82422395 572026186 /nfs/dbraw/zinc/02/61/86/572026186.db2.gz KTRXUQJBUIUIRS-UHFFFAOYSA-N 1 0 196.319 2.266 10 0 AEAERO CCc1nc(C2CC2)sc1C[NH2+]C 82423786 572026384 /nfs/dbraw/zinc/02/63/84/572026384.db2.gz NUSZLTJLKVZVCN-UHFFFAOYSA-N 1 0 196.319 2.302 10 0 AEAERO CC[C@H]([NH2+]C)[C@@H](C)CC1CCOCC1 82443374 572026239 /nfs/dbraw/zinc/02/62/39/572026239.db2.gz MZHHKNCVGKMEDG-JQWIXIFHSA-N 1 0 199.338 2.437 10 0 AEAERO [NH3+][C@@H](CCc1cccs1)C1CC1 82430894 572026405 /nfs/dbraw/zinc/02/64/05/572026405.db2.gz XIXUHUWOCXYDDU-JTQLQIEISA-N 1 0 181.304 2.418 10 0 AEAERO CC[C@@H]([NH2+]C)[C@H](C)CC1CCOCC1 82443377 572026413 /nfs/dbraw/zinc/02/64/13/572026413.db2.gz MZHHKNCVGKMEDG-ZYHUDNBSSA-N 1 0 199.338 2.437 10 0 AEAERO CCc1nc(C2CC2)c(C[NH2+]C)s1 82435142 572026457 /nfs/dbraw/zinc/02/64/57/572026457.db2.gz PCPOQCFFVUIOKE-UHFFFAOYSA-N 1 0 196.319 2.302 10 0 AEAERO CCCn1nccc1[C@H]([NH3+])C(C)(C)C 69025209 572026524 /nfs/dbraw/zinc/02/65/24/572026524.db2.gz JKGULSWJXGNWHX-JTQLQIEISA-N 1 0 195.310 2.339 10 0 AEAERO CC[C@@H]([NH3+])[C@@H](C)CCOC(C)C 82443080 572026528 /nfs/dbraw/zinc/02/65/28/572026528.db2.gz ZCQUZGROOPWPKQ-VHSXEESVSA-N 1 0 173.300 2.175 10 0 AEAERO CCn1nccc1[C@H]([NH3+])CC(C)(C)C 69026559 572026536 /nfs/dbraw/zinc/02/65/36/572026536.db2.gz KJLYZLCZQMRYQW-SECBINFHSA-N 1 0 195.310 2.339 10 0 AEAERO CCn1nccc1[C@@H]([NH3+])CC(C)(C)C 69026564 572026572 /nfs/dbraw/zinc/02/65/72/572026572.db2.gz KJLYZLCZQMRYQW-VIFPVBQESA-N 1 0 195.310 2.339 10 0 AEAERO CCC[NH2+][C@H](CC)c1ccnn1CC 69025522 572026588 /nfs/dbraw/zinc/02/65/88/572026588.db2.gz CHNPVNLNSIRCTK-SNVBAGLBSA-N 1 0 195.310 2.354 10 0 AEAERO CCn1nccc1[C@@H](CC(C)C)[NH2+]C 69025357 572026630 /nfs/dbraw/zinc/02/66/30/572026630.db2.gz HFWXLVGFONUFJN-SNVBAGLBSA-N 1 0 195.310 2.210 10 0 AEAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccnn1CC 69026484 572026871 /nfs/dbraw/zinc/02/68/71/572026871.db2.gz WDEZWRONLKADED-KOLCDFICSA-N 1 0 195.310 2.210 10 0 AEAERO CCc1ncsc1C[NH2+]C(C)C 82422335 572026877 /nfs/dbraw/zinc/02/68/77/572026877.db2.gz XZBZRFIWYFGYRN-UHFFFAOYSA-N 1 0 184.308 2.204 10 0 AEAERO CC[NH2+][C@H](c1ccnn1CC)C(C)C 69025447 572026880 /nfs/dbraw/zinc/02/68/80/572026880.db2.gz FUAVLEMVNTVSKO-NSHDSACASA-N 1 0 195.310 2.210 10 0 AEAERO CC[C@@H]([NH2+]C)[C@@H](C)c1ccc(F)cn1 82443513 572026894 /nfs/dbraw/zinc/02/68/94/572026894.db2.gz VKJCNBFCBNAESI-PSASIEDQSA-N 1 0 196.269 2.322 10 0 AEAERO CCC[NH2+][C@@H](C)c1ccnn1CCC 69025569 572026904 /nfs/dbraw/zinc/02/69/04/572026904.db2.gz BUDFSJXOTDRCMS-JTQLQIEISA-N 1 0 195.310 2.354 10 0 AEAERO CCCn1nccc1[C@@H]([NH3+])C(C)(C)C 69025218 572026908 /nfs/dbraw/zinc/02/69/08/572026908.db2.gz JKGULSWJXGNWHX-SNVBAGLBSA-N 1 0 195.310 2.339 10 0 AEAERO CCC[C@H]([NH2+]CC)c1ccnn1CC 69025627 572026939 /nfs/dbraw/zinc/02/69/39/572026939.db2.gz PAWIKWCNXNSCKG-JTQLQIEISA-N 1 0 195.310 2.354 10 0 AEAERO CCC[C@H]([NH2+]C)c1ccnn1CCC 69025593 572026950 /nfs/dbraw/zinc/02/69/50/572026950.db2.gz FLWPJWLESBGZOU-JTQLQIEISA-N 1 0 195.310 2.354 10 0 AEAERO CCn1nccc1[C@@H]([NH2+]C)C(C)(C)C 69025743 572026968 /nfs/dbraw/zinc/02/69/68/572026968.db2.gz ZPDDLOLRHICEJB-SNVBAGLBSA-N 1 0 195.310 2.210 10 0 AEAERO CCCn1nccc1[C@@H](CC)[NH2+]CC 69025489 572027017 /nfs/dbraw/zinc/02/70/17/572027017.db2.gz XLOJCKOJVXGEKI-SNVBAGLBSA-N 1 0 195.310 2.354 10 0 AEAERO CCCn1nccc1[C@@H]([NH2+]C)C(C)C 69025410 572027020 /nfs/dbraw/zinc/02/70/20/572027020.db2.gz VGKJMQSQZCMEBY-NSHDSACASA-N 1 0 195.310 2.210 10 0 AEAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(C)ccc1F 234379376 572027025 /nfs/dbraw/zinc/02/70/25/572027025.db2.gz HKXJLMUQRCLVRL-VHSXEESVSA-N 1 0 193.265 2.457 10 0 AEAERO C[NH2+][C@H](CCC(C)C)c1cnn(C)c1 35500075 572027038 /nfs/dbraw/zinc/02/70/38/572027038.db2.gz KKZNERGIJFUJIC-LLVKDONJSA-N 1 0 195.310 2.117 10 0 AEAERO CCC[NH2+][C@@H](CC)c1ccnn1CC 69025519 572027055 /nfs/dbraw/zinc/02/70/55/572027055.db2.gz CHNPVNLNSIRCTK-JTQLQIEISA-N 1 0 195.310 2.354 10 0 AEAERO CCCn1nccc1[C@H](CC)[NH2+]CC 69025495 572027066 /nfs/dbraw/zinc/02/70/66/572027066.db2.gz XLOJCKOJVXGEKI-JTQLQIEISA-N 1 0 195.310 2.354 10 0 AEAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccnn1CC 69026493 572027084 /nfs/dbraw/zinc/02/70/84/572027084.db2.gz WDEZWRONLKADED-GXSJLCMTSA-N 1 0 195.310 2.210 10 0 AEAERO CCn1nccc1[C@@H]([NH3+])CCC(C)C 69026049 572027088 /nfs/dbraw/zinc/02/70/88/572027088.db2.gz WIOUYBFSUJSUIC-JTQLQIEISA-N 1 0 195.310 2.339 10 0 AEAERO CCn1nccc1[C@H](CC(C)C)[NH2+]C 69025361 572027110 /nfs/dbraw/zinc/02/71/10/572027110.db2.gz HFWXLVGFONUFJN-JTQLQIEISA-N 1 0 195.310 2.210 10 0 AEAERO CC[C@@H]([NH2+]C)[C@@H](C)C[C@@H]1CCCO1 82443371 572027132 /nfs/dbraw/zinc/02/71/32/572027132.db2.gz BFLULADKLLRAMO-GARJFASQSA-N 1 0 185.311 2.190 10 0 AEAERO CCCn1nccc1[C@H]([NH3+])[C@H](C)CC 69026434 572027147 /nfs/dbraw/zinc/02/71/47/572027147.db2.gz RAMYFVLMWFOHNK-MWLCHTKSSA-N 1 0 195.310 2.339 10 0 AEAERO CC[C@@H](C)[C@@H]([NH2+]C)c1ccnn1CC 69026490 572027152 /nfs/dbraw/zinc/02/71/52/572027152.db2.gz WDEZWRONLKADED-MWLCHTKSSA-N 1 0 195.310 2.210 10 0 AEAERO CC[NH2+][C@@H](CCCOCC)C1CC1 82430944 572027153 /nfs/dbraw/zinc/02/71/53/572027153.db2.gz XWFTUUAUUHOCSV-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@H](C)[C@H]([NH2+]C)c1ccnn1CC 69026486 572027167 /nfs/dbraw/zinc/02/71/67/572027167.db2.gz WDEZWRONLKADED-ONGXEEELSA-N 1 0 195.310 2.210 10 0 AEAERO CC[NH2+][C@H](CCCOCC)C1CC1 82430946 572027176 /nfs/dbraw/zinc/02/71/76/572027176.db2.gz XWFTUUAUUHOCSV-LLVKDONJSA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@H]([NH2+]C)[C@@H](C)c1ccc(F)cn1 82443512 572027188 /nfs/dbraw/zinc/02/71/88/572027188.db2.gz VKJCNBFCBNAESI-SCZZXKLOSA-N 1 0 196.269 2.322 10 0 AEAERO CC[C@H]([NH2+]C)[C@H](C)c1ccccn1 82443564 572027237 /nfs/dbraw/zinc/02/72/37/572027237.db2.gz VPPMUDDROYMNTC-UWVGGRQHSA-N 1 0 178.279 2.183 10 0 AEAERO CC[C@@H]([NH2+]C)[C@@H](C)CC1CCOCC1 82443375 572027239 /nfs/dbraw/zinc/02/72/39/572027239.db2.gz MZHHKNCVGKMEDG-CMPLNLGQSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(F)ccc1C 234379447 572027353 /nfs/dbraw/zinc/02/73/53/572027353.db2.gz KPDWQWOLPPJGAT-JOYOIKCWSA-N 1 0 193.265 2.457 10 0 AEAERO CC[C@H]([NH2+]C)[C@@H](C)CCOC(C)C 82443455 572027367 /nfs/dbraw/zinc/02/73/67/572027367.db2.gz DMJISHFQJBRMFG-QWRGUYRKSA-N 1 0 187.327 2.436 10 0 AEAERO Cc1ccc(OCC(C)C)c(C[NH3+])c1 82426843 572027422 /nfs/dbraw/zinc/02/74/22/572027422.db2.gz VQZZHEXXKFSVFU-UHFFFAOYSA-N 1 0 193.290 2.489 10 0 AEAERO CCc1ccc(/C=C/CC[NH3+])o1 69050566 572027428 /nfs/dbraw/zinc/02/74/28/572027428.db2.gz UKIHXSLQPRZLEA-HWKANZROSA-N 1 0 165.236 2.204 10 0 AEAERO COCC[NH2+]C/C=C/[C@H](C)CC(C)C 300890696 572027454 /nfs/dbraw/zinc/02/74/54/572027454.db2.gz JWIXDRZJWZMNDG-FYJFLYSWSA-N 1 0 199.338 2.461 10 0 AEAERO CC[C@H]([NH3+])[C@H](C)CCOC(C)C 82443081 572027460 /nfs/dbraw/zinc/02/74/60/572027460.db2.gz ZCQUZGROOPWPKQ-ZJUUUORDSA-N 1 0 173.300 2.175 10 0 AEAERO [NH3+][C@H](CCc1cccs1)C1CC1 82430895 572027477 /nfs/dbraw/zinc/02/74/77/572027477.db2.gz XIXUHUWOCXYDDU-SNVBAGLBSA-N 1 0 181.304 2.418 10 0 AEAERO c1ccc2c(C[NH2+]C3CC3)cncc2c1 69049573 572027484 /nfs/dbraw/zinc/02/74/84/572027484.db2.gz AOJKAKWNOJLOAC-UHFFFAOYSA-N 1 0 198.269 2.487 10 0 AEAERO CC[NH2+][C@H](Cc1ccccn1)C1CC1 82430959 572027488 /nfs/dbraw/zinc/02/74/88/572027488.db2.gz DEUHORJINPQHFO-GFCCVEGCSA-N 1 0 190.290 2.012 10 0 AEAERO CC[C@@H]([NH3+])[C@H](C)CC1CCOCC1 82443017 572027517 /nfs/dbraw/zinc/02/75/17/572027517.db2.gz GVLCQLSDXLOGGE-MWLCHTKSSA-N 1 0 185.311 2.177 10 0 AEAERO CC[C@H]([NH2+]C)[C@H](C)C[C@@H]1CCCO1 82443372 572027526 /nfs/dbraw/zinc/02/75/26/572027526.db2.gz BFLULADKLLRAMO-VWYCJHECSA-N 1 0 185.311 2.190 10 0 AEAERO C[NH2+][C@H](CC(C)(C)C)c1cnccn1 69049357 572027537 /nfs/dbraw/zinc/02/75/37/572027537.db2.gz ZOAFOHUPOGPAHS-SECBINFHSA-N 1 0 193.294 2.173 10 0 AEAERO CC[NH2+][C@H](c1cnccn1)[C@H](C)CC 69049338 572027548 /nfs/dbraw/zinc/02/75/48/572027548.db2.gz 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/nfs/dbraw/zinc/11/48/50/572114850.db2.gz OWIVKOOJZMBMMJ-GHMZBOCLSA-N 1 0 199.338 2.483 10 0 AEAERO CC(=O)CCCC[N@H+]1CCC[C@H](C)C1 37322632 572115547 /nfs/dbraw/zinc/11/55/47/572115547.db2.gz WFCUUDBCHUOHDU-NSHDSACASA-N 1 0 197.322 2.478 10 0 AEAERO CC(C)(C)CC[C@H]([NH3+])C1=CCCO1 300944349 572114923 /nfs/dbraw/zinc/11/49/23/572114923.db2.gz WLNNHPDJJIFCSV-VIFPVBQESA-N 1 0 183.295 2.444 10 0 AEAERO C[NH2+]C[C@@H](C)C(=O)C[C@@H](C)CC(C)C 300942781 572114936 /nfs/dbraw/zinc/11/49/36/572114936.db2.gz OWIVKOOJZMBMMJ-WDEREUQCSA-N 1 0 199.338 2.483 10 0 AEAERO C[C@H]([NH3+])C[C@H]1CNc2c(F)cccc21 71485860 572114949 /nfs/dbraw/zinc/11/49/49/572114949.db2.gz JVKSDGLOTQPPRQ-YUMQZZPRSA-N 1 0 194.253 2.072 10 0 AEAERO CC(C)(C)CC[C@@H]([NH3+])C1=CCCO1 300944347 572114968 /nfs/dbraw/zinc/11/49/68/572114968.db2.gz WLNNHPDJJIFCSV-SECBINFHSA-N 1 0 183.295 2.444 10 0 AEAERO CC[C@@H](C)[N@H+](C)CCCC(C)=O 37323203 572114987 /nfs/dbraw/zinc/11/49/87/572114987.db2.gz NSIGHNHIOGIZDH-SECBINFHSA-N 1 0 171.284 2.086 10 0 AEAERO CCC[N@H+](CCCC(C)=O)C(C)C 37323084 572115034 /nfs/dbraw/zinc/11/50/34/572115034.db2.gz HYKMBTBYCIKSHD-UHFFFAOYSA-N 1 0 185.311 2.476 10 0 AEAERO C[C@H]([NH3+])C[C@@H]1CNc2c(F)cccc21 71485856 572115036 /nfs/dbraw/zinc/11/50/36/572115036.db2.gz JVKSDGLOTQPPRQ-JGVFFNPUSA-N 1 0 194.253 2.072 10 0 AEAERO CCC(C)(C)[N@H+](C)[C@H](C)CC(C)=O 82792783 572115046 /nfs/dbraw/zinc/11/50/46/572115046.db2.gz IDCWTRYZYCRFIH-SECBINFHSA-N 1 0 185.311 2.474 10 0 AEAERO CC(=O)CCCC[N@@H+](C)[C@@H](C)C1CC1 37323566 572115555 /nfs/dbraw/zinc/11/55/55/572115555.db2.gz GKMFNJCXUGWIAA-NSHDSACASA-N 1 0 197.322 2.476 10 0 AEAERO C[NH2+]C[C@H](C)C(=O)C[C@@H](C)CC(C)C 300942778 572115103 /nfs/dbraw/zinc/11/51/03/572115103.db2.gz OWIVKOOJZMBMMJ-QWRGUYRKSA-N 1 0 199.338 2.483 10 0 AEAERO Cc1ccccc1C[C@@](C)(C[NH3+])CF 219868240 572115107 /nfs/dbraw/zinc/11/51/07/572115107.db2.gz PADZPHZOGRDCPD-GFCCVEGCSA-N 1 0 195.281 2.472 10 0 AEAERO C[C@@H]([NH3+])C[C@H]1CNc2c(F)cccc21 71485861 572115137 /nfs/dbraw/zinc/11/51/37/572115137.db2.gz JVKSDGLOTQPPRQ-SFYZADRCSA-N 1 0 194.253 2.072 10 0 AEAERO CC[N@H+](CC1CC1)[C@H](C)CC(C)=O 82792779 572115144 /nfs/dbraw/zinc/11/51/44/572115144.db2.gz JNDGCRBPMLFKQN-SECBINFHSA-N 1 0 183.295 2.086 10 0 AEAERO C[C@H]([NH3+])[C@H]1CNc2ccc(Cl)cc21 71485930 572115157 /nfs/dbraw/zinc/11/51/57/572115157.db2.gz RKYKSDMZSBRDOH-IMTBSYHQSA-N 1 0 196.681 2.196 10 0 AEAERO CCc1ccc2c(c1)[C@H]([C@H](C)[NH3+])CN2 71485901 572115176 /nfs/dbraw/zinc/11/51/76/572115176.db2.gz QEZDCWSHWCLJLX-KWQFWETISA-N 1 0 190.290 2.105 10 0 AEAERO C[C@H]([NH3+])[C@@H]1CNc2cc(Cl)ccc21 71485956 572115195 /nfs/dbraw/zinc/11/51/95/572115195.db2.gz UFMOZTGGHGGYHK-RCOVLWMOSA-N 1 0 196.681 2.196 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1CNc2ccc(Cl)cc21 71485928 572115208 /nfs/dbraw/zinc/11/52/08/572115208.db2.gz RKYKSDMZSBRDOH-MUWHJKNJSA-N 1 0 196.681 2.196 10 0 AEAERO CC(=O)CCC[N@@H+](C)C1CCCC1 37323031 572115216 /nfs/dbraw/zinc/11/52/16/572115216.db2.gz QRUDRZLLTWMVDM-UHFFFAOYSA-N 1 0 183.295 2.230 10 0 AEAERO C[C@@H](C1CC1)[C@H]1CCC[NH2+]C1 17764373 572115246 /nfs/dbraw/zinc/11/52/46/572115246.db2.gz QYNFCBKDCHLFMA-WPRPVWTQSA-N 1 0 153.269 2.032 10 0 AEAERO C[C@H]1CCC[C@@H](O[C@@H]2CCC[C@@H]2[NH3+])C1 34958215 572115273 /nfs/dbraw/zinc/11/52/73/572115273.db2.gz WIWWDVAESKLWOG-WHOHXGKFSA-N 1 0 197.322 2.462 10 0 AEAERO CC(=O)CCCC[NH+]1CCCCC1 37322706 572115281 /nfs/dbraw/zinc/11/52/81/572115281.db2.gz FQAKLSIJTWOAQA-UHFFFAOYSA-N 1 0 183.295 2.232 10 0 AEAERO C[C@@H]([NH3+])C[C@@H]1CNc2ccc(F)cc21 71485768 572115356 /nfs/dbraw/zinc/11/53/56/572115356.db2.gz UELSLFMWKCCXLK-HTQZYQBOSA-N 1 0 194.253 2.072 10 0 AEAERO CC(=O)CCCC[N@@H+](C)C(C)C 37322698 572115359 /nfs/dbraw/zinc/11/53/59/572115359.db2.gz UNJGODWANFXCCL-UHFFFAOYSA-N 1 0 171.284 2.086 10 0 AEAERO CC[C@@H](CN)[N@H+](C)CC1(CC)CCC1 393339961 572115402 /nfs/dbraw/zinc/11/54/02/572115402.db2.gz WHVBQVQCJADEFD-NSHDSACASA-N 1 0 198.354 2.236 10 0 AEAERO C[C@@H]([NH3+])[C@H]1CNc2cc(Cl)ccc21 71485961 572115381 /nfs/dbraw/zinc/11/53/81/572115381.db2.gz UFMOZTGGHGGYHK-HZGVNTEJSA-N 1 0 196.681 2.196 10 0 AEAERO C[C@H](C1CC1)[C@H]1CCC[NH2+]C1 17764376 572115393 /nfs/dbraw/zinc/11/53/93/572115393.db2.gz QYNFCBKDCHLFMA-SCZZXKLOSA-N 1 0 153.269 2.032 10 0 AEAERO C[NH2+]C[C@H](C)C(=O)C[C@H](C)CC(C)C 300942775 572115416 /nfs/dbraw/zinc/11/54/16/572115416.db2.gz OWIVKOOJZMBMMJ-MNOVXSKESA-N 1 0 199.338 2.483 10 0 AEAERO CCc1ccc2c(c1)[C@@H]([C@@H](C)[NH3+])CN2 71485899 572115424 /nfs/dbraw/zinc/11/54/24/572115424.db2.gz QEZDCWSHWCLJLX-LDYMZIIASA-N 1 0 190.290 2.105 10 0 AEAERO CCCCO[C@H](C)C[C@H](C)[NH2+]C 82805542 572123409 /nfs/dbraw/zinc/12/34/09/572123409.db2.gz CFYUTNAXIZZWRJ-VHSXEESVSA-N 1 0 173.300 2.190 10 0 AEAERO CC[C@H](C)[N@H+](C)CCCC(C)=O 37323205 572115465 /nfs/dbraw/zinc/11/54/65/572115465.db2.gz NSIGHNHIOGIZDH-VIFPVBQESA-N 1 0 171.284 2.086 10 0 AEAERO CCC[C@H](C)[N@H+](C)[C@@H]1CCCC1=O 37339248 572115505 /nfs/dbraw/zinc/11/55/05/572115505.db2.gz GJWRIDQIIVNKAJ-VHSXEESVSA-N 1 0 183.295 2.228 10 0 AEAERO CCC[C@@H](C)[N@H+](C)[C@@H](C)C(C)=O 37339221 572115635 /nfs/dbraw/zinc/11/56/35/572115635.db2.gz KLYUKBCGBGOJOT-BDAKNGLRSA-N 1 0 171.284 2.084 10 0 AEAERO CC(=O)CCCC[N@@H+](C)CC(C)C 37323160 572115628 /nfs/dbraw/zinc/11/56/28/572115628.db2.gz UNQXETLJOUSELK-UHFFFAOYSA-N 1 0 185.311 2.334 10 0 AEAERO CCC(CC)[N@H+](C)[C@@H]1CCCC1=O 37339135 572116124 /nfs/dbraw/zinc/11/61/24/572116124.db2.gz QLYZVCKMVLNSGV-SNVBAGLBSA-N 1 0 183.295 2.228 10 0 AEAERO CCC[N@H+](C)CCCCC(C)=O 37323134 572115933 /nfs/dbraw/zinc/11/59/33/572115933.db2.gz QIEYINHYQDONBE-UHFFFAOYSA-N 1 0 171.284 2.088 10 0 AEAERO CCC[C@H](C)[N@H+](C)CCCC(C)=O 37328837 572115960 /nfs/dbraw/zinc/11/59/60/572115960.db2.gz NALRRPJFOSKQMM-JTQLQIEISA-N 1 0 185.311 2.476 10 0 AEAERO CCC(CC)[N@H+](C)[C@H]1CCCC1=O 37339136 572116016 /nfs/dbraw/zinc/11/60/16/572116016.db2.gz QLYZVCKMVLNSGV-JTQLQIEISA-N 1 0 183.295 2.228 10 0 AEAERO CCCCC[N@H+](C)CCCC(C)=O 37323308 572116029 /nfs/dbraw/zinc/11/60/29/572116029.db2.gz FBANENPYROTSET-UHFFFAOYSA-N 1 0 185.311 2.478 10 0 AEAERO C[C@H]([NH3+])c1ccc(-c2cnccn2)cc1 69499151 572116093 /nfs/dbraw/zinc/11/60/93/572116093.db2.gz UPKPEHNVKRQULR-VIFPVBQESA-N 1 0 199.257 2.163 10 0 AEAERO CC[N@H+](CCCC(C)=O)C(C)C 37322983 572116120 /nfs/dbraw/zinc/11/61/20/572116120.db2.gz JGLOYZOBKLIYTN-UHFFFAOYSA-N 1 0 171.284 2.086 10 0 AEAERO CC[C@H](CN)[N@H+](C)CC1(CC)CCC1 393339960 572116140 /nfs/dbraw/zinc/11/61/40/572116140.db2.gz WHVBQVQCJADEFD-LLVKDONJSA-N 1 0 198.354 2.236 10 0 AEAERO CC(=O)CCC[N@H+]1CCC[C@@H](C)C1 37322634 572116175 /nfs/dbraw/zinc/11/61/75/572116175.db2.gz HUKPQOQJAPDMFI-SNVBAGLBSA-N 1 0 183.295 2.088 10 0 AEAERO CC[C@H](C)[N@H+](CC)CCCC(C)=O 37323278 572116182 /nfs/dbraw/zinc/11/61/82/572116182.db2.gz MPDZKTWGZGWDLZ-JTQLQIEISA-N 1 0 185.311 2.476 10 0 AEAERO CCC[N@H+](CC)CCCC(C)=O 37323058 572116238 /nfs/dbraw/zinc/11/62/38/572116238.db2.gz MNNWSRKEGIVHAO-UHFFFAOYSA-N 1 0 171.284 2.088 10 0 AEAERO CC[N@H+](CCCCC(C)=O)C(C)C 37322981 572116250 /nfs/dbraw/zinc/11/62/50/572116250.db2.gz ZMFBMIHIMYAXCY-UHFFFAOYSA-N 1 0 185.311 2.476 10 0 AEAERO CC[C@@H](C)[N@H+](CC)CCCC(C)=O 37323276 572116339 /nfs/dbraw/zinc/11/63/39/572116339.db2.gz MPDZKTWGZGWDLZ-SNVBAGLBSA-N 1 0 185.311 2.476 10 0 AEAERO C1CC2(C1)CC([NH2+]CCOC1CC1)C2 711765157 572116620 /nfs/dbraw/zinc/11/66/20/572116620.db2.gz KUJQVVHJEFDJDR-UHFFFAOYSA-N 1 0 195.306 2.088 10 0 AEAERO CCC[C@H](C)[N@H+](C)[C@@H](C)C(C)=O 37339222 572116383 /nfs/dbraw/zinc/11/63/83/572116383.db2.gz KLYUKBCGBGOJOT-IUCAKERBSA-N 1 0 171.284 2.084 10 0 AEAERO CC[N@H+](CCCC(C)=O)CC(C)C 37323235 572116466 /nfs/dbraw/zinc/11/64/66/572116466.db2.gz UKZVUONFYKHAPM-UHFFFAOYSA-N 1 0 185.311 2.334 10 0 AEAERO CCc1cccc2c1NC[C@H]2[C@@H](C)[NH3+] 71485993 572116475 /nfs/dbraw/zinc/11/64/75/572116475.db2.gz TWRNQDWTDPAUPA-KCJUWKMLSA-N 1 0 190.290 2.105 10 0 AEAERO C[C@H]([NH3+])[C@H]1CNc2c(Cl)cccc21 71486017 572116488 /nfs/dbraw/zinc/11/64/88/572116488.db2.gz JJAATWCKSIURLZ-POYBYMJQSA-N 1 0 196.681 2.196 10 0 AEAERO C[C@@H]([NH3+])[C@H]1CNc2c(Cl)cccc21 71486019 572116512 /nfs/dbraw/zinc/11/65/12/572116512.db2.gz JJAATWCKSIURLZ-HTRCEHHLSA-N 1 0 196.681 2.196 10 0 AEAERO CC[C@@H](C)[N@H+](C)CCCCC(C)=O 37323200 572116680 /nfs/dbraw/zinc/11/66/80/572116680.db2.gz IDYHLYKTAUDMJE-SNVBAGLBSA-N 1 0 185.311 2.476 10 0 AEAERO CC(C)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C1 300946513 572116729 /nfs/dbraw/zinc/11/67/29/572116729.db2.gz YUADYQCTXIMVSO-IJLUTSLNSA-N 1 0 199.338 2.029 10 0 AEAERO CC[C@H](C)C[N@H+](C)CCCC(C)=O 37323352 572116799 /nfs/dbraw/zinc/11/67/99/572116799.db2.gz MEBTZVDNIHGRJR-JTQLQIEISA-N 1 0 185.311 2.334 10 0 AEAERO C[C@@H](C1CC1)[C@@H]1CCC[NH2+]C1 17764367 572116828 /nfs/dbraw/zinc/11/68/28/572116828.db2.gz QYNFCBKDCHLFMA-WCBMZHEXSA-N 1 0 153.269 2.032 10 0 AEAERO CC[C@H]1CCC[N@H+](CCCC(C)=O)C1 37328904 572116858 /nfs/dbraw/zinc/11/68/58/572116858.db2.gz MWQLIDAUGMFCHW-LBPRGKRZSA-N 1 0 197.322 2.478 10 0 AEAERO CC[C@@H](C)C[N@H+](C)CCCC(C)=O 37323350 572116882 /nfs/dbraw/zinc/11/68/82/572116882.db2.gz MEBTZVDNIHGRJR-SNVBAGLBSA-N 1 0 185.311 2.334 10 0 AEAERO CC(C)[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C1 300946511 572116889 /nfs/dbraw/zinc/11/68/89/572116889.db2.gz YUADYQCTXIMVSO-GRYCIOLGSA-N 1 0 199.338 2.029 10 0 AEAERO C[C@H]1OCC[C@H]1C[NH2+]CC(C)(C)C 235629124 572116906 /nfs/dbraw/zinc/11/69/06/572116906.db2.gz SQHRDTNYUPBHMQ-ZJUUUORDSA-N 1 0 185.311 2.047 10 0 AEAERO CCc1cccc2c1NC[C@@H]2[C@H](C)[NH3+] 71485995 572116945 /nfs/dbraw/zinc/11/69/45/572116945.db2.gz TWRNQDWTDPAUPA-GZMMTYOYSA-N 1 0 190.290 2.105 10 0 AEAERO CC(C)C[C@H](C)Cn1nccc1C[NH3+] 300945917 572117004 /nfs/dbraw/zinc/11/70/04/572117004.db2.gz PEHQRBCQIOSSFL-JTQLQIEISA-N 1 0 195.310 2.024 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1CNc2c(Cl)cccc21 71486015 572117462 /nfs/dbraw/zinc/11/74/62/572117462.db2.gz JJAATWCKSIURLZ-SVRRBLITSA-N 1 0 196.681 2.196 10 0 AEAERO CCC[NH2+][C@@H](C)C[C@H](C)OCC 82804062 572119434 /nfs/dbraw/zinc/11/94/34/572119434.db2.gz QSKOPXBYXHRYHZ-UWVGGRQHSA-N 1 0 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CQGSAEHBEMLZJS-IUCAKERBSA-N 1 0 191.315 2.220 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]CCOCCC(C)C 300381188 572145562 /nfs/dbraw/zinc/14/55/62/572145562.db2.gz JBDKLLWUZHVMGA-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)[NH2+]Cc1nc(C(C)C)c[nH]1 37477458 572144329 /nfs/dbraw/zinc/14/43/29/572144329.db2.gz QOTGDHXWPLPDTD-UHFFFAOYSA-N 1 0 181.283 2.031 10 0 AEAERO CC[C@H](C)N(CC)CC[NH2+]C(C)C 37477296 572144355 /nfs/dbraw/zinc/14/43/55/572144355.db2.gz WEAUJVZZLRZTAT-NSHDSACASA-N 1 0 186.343 2.105 10 0 AEAERO CCCCCN(C)CC[NH2+]C(C)C 37477297 572144377 /nfs/dbraw/zinc/14/43/77/572144377.db2.gz MTRIBIVWVDMJCU-UHFFFAOYSA-N 1 0 186.343 2.106 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 300380269 572144849 /nfs/dbraw/zinc/14/48/49/572144849.db2.gz IGDZIYQIMDEXED-VWYCJHECSA-N 1 0 197.322 2.332 10 0 AEAERO CC[C@@H]1OCC[C@H]1[C@H]([NH3+])CCC1CC1 300381313 572144457 /nfs/dbraw/zinc/14/44/57/572144457.db2.gz NNEHWTCWQXUOPS-TUAOUCFPSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@@H]1OCC[C@@H]1[C@@H]([NH3+])CCC1CC1 300381315 572144459 /nfs/dbraw/zinc/14/44/59/572144459.db2.gz NNEHWTCWQXUOPS-WOPDTQHZSA-N 1 0 197.322 2.319 10 0 AEAERO CCC[C@@H]1C[C@@H]1NCC[NH2+]C(C)(C)C 300381213 572144478 /nfs/dbraw/zinc/14/44/78/572144478.db2.gz JENHBAHSPBNSOY-MNOVXSKESA-N 1 0 198.354 2.153 10 0 AEAERO CC[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CC1 300376391 572144668 /nfs/dbraw/zinc/14/46/68/572144668.db2.gz JRBOPJYDYBGUKX-USWWRNFRSA-N 1 0 197.322 2.190 10 0 AEAERO C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 300382561 572144907 /nfs/dbraw/zinc/14/49/07/572144907.db2.gz OHOFYGZTKSPKIT-AXFHLTTASA-N 1 0 197.322 2.190 10 0 AEAERO CCC[C@H](C)N(C)CC[NH2+]C(C)C 37477324 572145059 /nfs/dbraw/zinc/14/50/59/572145059.db2.gz STAGLWBABGYCLT-NSHDSACASA-N 1 0 186.343 2.105 10 0 AEAERO CC(C)[NH2+]Cc1nc(C(C)(C)C)c[nH]1 37477456 572145163 /nfs/dbraw/zinc/14/51/63/572145163.db2.gz FEVLJJUQSUBDBS-UHFFFAOYSA-N 1 0 195.310 2.205 10 0 AEAERO CC[C@@H]1OCC[C@@H]1[C@H]([NH3+])CCC1CC1 300381314 572145292 /nfs/dbraw/zinc/14/52/92/572145292.db2.gz NNEHWTCWQXUOPS-UTUOFQBUSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 300380268 572145404 /nfs/dbraw/zinc/14/54/04/572145404.db2.gz IGDZIYQIMDEXED-MXWKQRLJSA-N 1 0 197.322 2.332 10 0 AEAERO CCC(CC)N(C)CC[NH2+]C(C)C 37477322 572145416 /nfs/dbraw/zinc/14/54/16/572145416.db2.gz VFPAXTWAVUEPCQ-UHFFFAOYSA-N 1 0 186.343 2.105 10 0 AEAERO CC[NH2+]Cc1ccc(OC)cc1C 69803470 572145489 /nfs/dbraw/zinc/14/54/89/572145489.db2.gz BLKHYAYPAHBSKM-UHFFFAOYSA-N 1 0 179.263 2.113 10 0 AEAERO CCC[C@@H](C)N(C)CC[NH2+]C(C)C 37477323 572145524 /nfs/dbraw/zinc/14/55/24/572145524.db2.gz STAGLWBABGYCLT-LLVKDONJSA-N 1 0 186.343 2.105 10 0 AEAERO Cc1cccc2c1C[C@@H]1CC[NH2+]C[C@H]21 35280919 572145543 /nfs/dbraw/zinc/14/55/43/572145543.db2.gz WYDKRVCTOLRNHI-GWCFXTLKSA-N 1 0 187.286 2.244 10 0 AEAERO C[NH2+]CCCCN(C)c1ccccc1 37477873 572145604 /nfs/dbraw/zinc/14/56/04/572145604.db2.gz HCXVRIQFRYYVJF-UHFFFAOYSA-N 1 0 192.306 2.122 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1N 300381564 572145697 /nfs/dbraw/zinc/14/56/97/572145697.db2.gz JITKIPFFWDTDSK-SKDRFNHKSA-N 1 0 190.290 2.157 10 0 AEAERO CCC[C@H](CCO)C[N@@H+]1CCC[C@H]1C 300379598 572145756 /nfs/dbraw/zinc/14/57/56/572145756.db2.gz YIBHWFXLYKHOSO-VXGBXAGGSA-N 1 0 199.338 2.269 10 0 AEAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 300382564 572145790 /nfs/dbraw/zinc/14/57/90/572145790.db2.gz OHOFYGZTKSPKIT-HBNTYKKESA-N 1 0 197.322 2.190 10 0 AEAERO CCC[C@@H](CCO)C[N@@H+]1CCC[C@H]1C 300379596 572145797 /nfs/dbraw/zinc/14/57/97/572145797.db2.gz YIBHWFXLYKHOSO-NEPJUHHUSA-N 1 0 199.338 2.269 10 0 AEAERO Cc1occc1S[C@@H](C)CC(N)=[NH2+] 235154045 572145939 /nfs/dbraw/zinc/14/59/39/572145939.db2.gz YIZFXZYQIVGHQU-LURJTMIESA-N 1 0 198.291 2.395 10 0 AEAERO CCN(CC[NH2+]C(C)C)C1CCCC1 37477307 572145943 /nfs/dbraw/zinc/14/59/43/572145943.db2.gz IPSAKYWCNNQYAN-UHFFFAOYSA-N 1 0 198.354 2.249 10 0 AEAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 300382563 572146154 /nfs/dbraw/zinc/14/61/54/572146154.db2.gz OHOFYGZTKSPKIT-GARJFASQSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@@H]1CCCC[C@H]1N(C)CC[NH2+]C 69802574 572147133 /nfs/dbraw/zinc/14/71/33/572147133.db2.gz KLQQEDLILJFOOQ-VXGBXAGGSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@@H](C)N(CC)CC[NH2+]C(C)C 37477295 572146256 /nfs/dbraw/zinc/14/62/56/572146256.db2.gz WEAUJVZZLRZTAT-LLVKDONJSA-N 1 0 186.343 2.105 10 0 AEAERO C[C@@H]([NH3+])CCCCSc1ncc[nH]1 235154216 572146277 /nfs/dbraw/zinc/14/62/77/572146277.db2.gz TXFMFBCOHBHWBM-MRVPVSSYSA-N 1 0 199.323 2.019 10 0 AEAERO CC[C@@H]1CCCC[C@@H]1N(C)CC[NH2+]C 69802570 572146360 /nfs/dbraw/zinc/14/63/60/572146360.db2.gz KLQQEDLILJFOOQ-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@H]1CCCC[C@@H]1N(C)CC[NH2+]C 69802572 572146397 /nfs/dbraw/zinc/14/63/97/572146397.db2.gz KLQQEDLILJFOOQ-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CCCCN(CC)CC[NH2+]C(C)C 37477259 572146417 /nfs/dbraw/zinc/14/64/17/572146417.db2.gz FNGMCPXUPNRNPV-UHFFFAOYSA-N 1 0 186.343 2.106 10 0 AEAERO CC(C)[NH2+]CCN1CCCCCCC1 37477277 572146423 /nfs/dbraw/zinc/14/64/23/572146423.db2.gz WENXAWDUIXGUHS-UHFFFAOYSA-N 1 0 198.354 2.251 10 0 AEAERO CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 300380267 572146429 /nfs/dbraw/zinc/14/64/29/572146429.db2.gz IGDZIYQIMDEXED-GMTAPVOTSA-N 1 0 197.322 2.332 10 0 AEAERO CS[C@H]1CCCC[C@H]1[NH2+]CCF 300380064 572146460 /nfs/dbraw/zinc/14/64/60/572146460.db2.gz CQGSAEHBEMLZJS-BDAKNGLRSA-N 1 0 191.315 2.220 10 0 AEAERO C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 300382562 572146489 /nfs/dbraw/zinc/14/64/89/572146489.db2.gz OHOFYGZTKSPKIT-DCAQKATOSA-N 1 0 197.322 2.190 10 0 AEAERO CCCNC(=[NH2+])N[C@@H](C)C1CCCC1 69805966 572146503 /nfs/dbraw/zinc/14/65/03/572146503.db2.gz OJGGUOAVUMXUOU-VIFPVBQESA-N 1 0 197.326 2.089 10 0 AEAERO CC[C@H]1CCCN(CC[NH2+]C(C)C)C1 37477327 572146507 /nfs/dbraw/zinc/14/65/07/572146507.db2.gz MLFOBWCLLGJSOM-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CC1 300376390 572146841 /nfs/dbraw/zinc/14/68/41/572146841.db2.gz JRBOPJYDYBGUKX-JLLWLGSASA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]CCc1ccccn1 300382010 572146845 /nfs/dbraw/zinc/14/68/45/572146845.db2.gz KDANXUQOXXPHOB-PWSUYJOCSA-N 1 0 190.290 2.012 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]CCCF 300384521 572147154 /nfs/dbraw/zinc/14/71/54/572147154.db2.gz MMNYRCBWNBRWLJ-BDAKNGLRSA-N 1 0 159.248 2.124 10 0 AEAERO CC[C@H]1CCCC[C@H]1N(C)CC[NH2+]C 69802575 572147166 /nfs/dbraw/zinc/14/71/66/572147166.db2.gz KLQQEDLILJFOOQ-NWDGAFQWSA-N 1 0 198.354 2.106 10 0 AEAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCO[C@H]1CC 300384249 572147227 /nfs/dbraw/zinc/14/72/27/572147227.db2.gz PWEYRUGCGAGSCV-GRYCIOLGSA-N 1 0 199.338 2.436 10 0 AEAERO CC[NH2+][C@H](C(C)C)[C@H]1CCO[C@H]1CC 300384251 572147277 /nfs/dbraw/zinc/14/72/77/572147277.db2.gz PWEYRUGCGAGSCV-SDDRHHMPSA-N 1 0 199.338 2.436 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]CC1(O)CCCCC1 300382836 572147440 /nfs/dbraw/zinc/14/74/40/572147440.db2.gz KNOCOOHLJLKEBV-MNOVXSKESA-N 1 0 197.322 2.070 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](N)C(C)(C)C 300385026 572147444 /nfs/dbraw/zinc/14/74/44/572147444.db2.gz MXPDPANAZZIFHU-OUAUKWLOSA-N 1 0 198.354 2.138 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C)O1 300382875 572147462 /nfs/dbraw/zinc/14/74/62/572147462.db2.gz KRTLPMNGHSSMQS-WYUUTHIRSA-N 1 0 197.322 2.332 10 0 AEAERO CCCNC(=[NH2+])N[C@H](C)C1CCCC1 69805970 572147518 /nfs/dbraw/zinc/14/75/18/572147518.db2.gz OJGGUOAVUMXUOU-SECBINFHSA-N 1 0 197.326 2.089 10 0 AEAERO [NH3+][C@@H]1CCCCC[C@H]1C1CC1 18299722 572149212 /nfs/dbraw/zinc/14/92/12/572149212.db2.gz WXFPDQPJFXBFGN-VHSXEESVSA-N 1 0 153.269 2.304 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]CCSC 300383614 572147738 /nfs/dbraw/zinc/14/77/38/572147738.db2.gz LKFOOIRADDMZIO-BDAKNGLRSA-N 1 0 173.325 2.128 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C)O1 300382874 572147756 /nfs/dbraw/zinc/14/77/56/572147756.db2.gz KRTLPMNGHSSMQS-USZNOCQGSA-N 1 0 197.322 2.332 10 0 AEAERO CC[C@H]1OCC[C@H]1CNC(=[NH2+])C(C)C 300383871 572147817 /nfs/dbraw/zinc/14/78/17/572147817.db2.gz PHVQOVOZILHTBZ-VHSXEESVSA-N 1 0 198.310 2.024 10 0 AEAERO CN(CC[NH2+]C1CC1)C1CCCCC1 37476698 572147829 /nfs/dbraw/zinc/14/78/29/572147829.db2.gz VSPFHBXGYXYWLC-UHFFFAOYSA-N 1 0 196.338 2.003 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](N)C(C)(C)C 300385025 572147844 /nfs/dbraw/zinc/14/78/44/572147844.db2.gz MXPDPANAZZIFHU-MXWKQRLJSA-N 1 0 198.354 2.138 10 0 AEAERO CCCCC[C@H](O)c1c[nH+]ccc1N 69844427 572149222 /nfs/dbraw/zinc/14/92/22/572149222.db2.gz VVIOERVAZXNXSC-NSHDSACASA-N 1 0 194.278 2.278 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](N)C(C)(C)C 300385028 572147967 /nfs/dbraw/zinc/14/79/67/572147967.db2.gz MXPDPANAZZIFHU-VWYCJHECSA-N 1 0 198.354 2.138 10 0 AEAERO CCCCC[C@H](O)[C@H]1CCCCC[NH2+]1 69844424 572147993 /nfs/dbraw/zinc/14/79/93/572147993.db2.gz PYPPJKZJDGJQIO-NEPJUHHUSA-N 1 0 199.338 2.460 10 0 AEAERO CCO[C@H]1C[C@H](NC(=[NH2+])CC)C1(C)C 300383392 572148103 /nfs/dbraw/zinc/14/81/03/572148103.db2.gz HSFFBUXQMNEDDS-IUCAKERBSA-N 1 0 198.310 2.167 10 0 AEAERO CC[C@@H]1CCCCN1CC[NH2+]C1CC1 37476736 572148107 /nfs/dbraw/zinc/14/81/07/572148107.db2.gz CRPXGIAUCRJQOC-GFCCVEGCSA-N 1 0 196.338 2.003 10 0 AEAERO CCCC[C@H](O)[C@H]1CCCCC[NH2+]1 69844276 572148259 /nfs/dbraw/zinc/14/82/59/572148259.db2.gz QCRFNMMHJHRDNE-MNOVXSKESA-N 1 0 185.311 2.070 10 0 AEAERO CCC[C@@H](C)[C@@H](O)[C@@H]1CCCCC[NH2+]1 69844377 572148378 /nfs/dbraw/zinc/14/83/78/572148378.db2.gz JICBIERNDMYIFF-GRYCIOLGSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C)O1 300382872 572148386 /nfs/dbraw/zinc/14/83/86/572148386.db2.gz KRTLPMNGHSSMQS-KKOKHZNYSA-N 1 0 197.322 2.332 10 0 AEAERO CC[NH2+][C@H](C1CC1)[C@@H]1CCO[C@H]1CC 300384219 572148401 /nfs/dbraw/zinc/14/84/01/572148401.db2.gz PSLVNYZQROWCRG-GRYCIOLGSA-N 1 0 197.322 2.190 10 0 AEAERO CCC[C@H](C)[C@@H](O)c1c[nH+]ccc1N 69844386 572148417 /nfs/dbraw/zinc/14/84/17/572148417.db2.gz 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197.322 2.332 10 0 AEAERO C[NH2+]C[C@H]1CC[C@H](C)[C@@H](C)C1 82844048 572153779 /nfs/dbraw/zinc/15/37/79/572153779.db2.gz KPVPJTGVDZGMGV-GUBZILKMSA-N 1 0 155.285 2.278 10 0 AEAERO CCC[C@@](C)(N)C[N@H+](C)CC(C)C 37480958 572153780 /nfs/dbraw/zinc/15/37/80/572153780.db2.gz NPRSKKIRZBPJLS-LLVKDONJSA-N 1 0 186.343 2.092 10 0 AEAERO COC[C@@H]([NH3+])[C@H]1CC[C@@H](C)[C@@H](C)C1 82843900 572153825 /nfs/dbraw/zinc/15/38/25/572153825.db2.gz CYFSAXNTMVBFPD-VPOLOUISSA-N 1 0 185.311 2.032 10 0 AEAERO CCCC[C@@H](N)C[N@H+](C)[C@@H](C)CC 37480960 572153853 /nfs/dbraw/zinc/15/38/53/572153853.db2.gz HJLDDMZIBSJONC-WDEREUQCSA-N 1 0 186.343 2.234 10 0 AEAERO C[NH2+]C[C@H]1CC[C@@H](C)[C@@H](C)C1 82844047 572153859 /nfs/dbraw/zinc/15/38/59/572153859.db2.gz KPVPJTGVDZGMGV-UTLUCORTSA-N 1 0 155.285 2.278 10 0 AEAERO CCC[NH+](CCC)C[C@@](C)(N)C1CC1 37479154 572153877 /nfs/dbraw/zinc/15/38/77/572153877.db2.gz NDHWPBLMPDWELN-GFCCVEGCSA-N 1 0 198.354 2.236 10 0 AEAERO 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198.269 2.297 10 0 AEAERO CCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C 82937182 572179387 /nfs/dbraw/zinc/17/93/87/572179387.db2.gz VLYKFCNJULEPIL-NWDGAFQWSA-N 1 0 198.354 2.105 10 0 AEAERO CCNc1[nH+]ccn1C(C)(C)C 687790287 572178388 /nfs/dbraw/zinc/17/83/88/572178388.db2.gz PBTNFWQJKRUUFD-UHFFFAOYSA-N 1 0 167.256 2.070 10 0 AEAERO CC[NH+](CC)C(CC)(CC)CC[NH3+] 84347385 572178395 /nfs/dbraw/zinc/17/83/95/572178395.db2.gz BZSBWPSNPVHXLV-UHFFFAOYSA-N 1 0 186.343 2.236 10 0 AEAERO CC(C)SC[C@H](C(N)=[NH2+])C1CC1 397318329 572178409 /nfs/dbraw/zinc/17/84/09/572178409.db2.gz ABGLMXFSZBLPAG-QMMMGPOBSA-N 1 0 186.324 2.090 10 0 AEAERO CCCCCN1CC[NH2+][C@H](CCC)C1 82925236 572178418 /nfs/dbraw/zinc/17/84/18/572178418.db2.gz WVSUNYFBJFUITP-GFCCVEGCSA-N 1 0 198.354 2.251 10 0 AEAERO C[NH2+][C@H](C(=O)c1cccs1)C(C)C 71507564 572178438 /nfs/dbraw/zinc/17/84/38/572178438.db2.gz VRLPBFHEHMSSAZ-VIFPVBQESA-N 1 0 197.303 2.175 10 0 AEAERO CC[C@H](C)C[C@@H]([NH3+])c1cc(C)n(C)n1 300960912 572178525 /nfs/dbraw/zinc/17/85/25/572178525.db2.gz VLLLGPJKHYIRQD-WCBMZHEXSA-N 1 0 195.310 2.165 10 0 AEAERO CCC[C@H]1C[N@H+](CCC)[C@H](C)CCN1 82943092 572179394 /nfs/dbraw/zinc/17/93/94/572179394.db2.gz SCZKPRJQDXUBEI-NEPJUHHUSA-N 1 0 198.354 2.249 10 0 AEAERO Cc1ccc(C(C)(C)[C@H](C)[NH3+])o1 84331271 572178476 /nfs/dbraw/zinc/17/84/76/572178476.db2.gz GBHQVGBSJICXJL-QMMMGPOBSA-N 1 0 167.252 2.213 10 0 AEAERO CC[C@H]1CN[C@H](CC)C[N@@H+]1CC(C)C 82936520 572178490 /nfs/dbraw/zinc/17/84/90/572178490.db2.gz BXQGJLCRTBTDAN-NEPJUHHUSA-N 1 0 198.354 2.105 10 0 AEAERO CCCC[N@@H+]1CCNC[C@H]1C(C)(C)C 82927106 572178589 /nfs/dbraw/zinc/17/85/89/572178589.db2.gz YOGFRTAFNRPIJF-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO C[C@@H](C1CC1)[C@H]([NH3+])C[C@H]1CCCOC1 689403423 572178644 /nfs/dbraw/zinc/17/86/44/572178644.db2.gz LKNOUXAPPGHFGV-HOSYDEDBSA-N 1 0 197.322 2.177 10 0 AEAERO CCC[C@@H]1C[N@H+](CC(C)C)[C@H](C)CN1 82935605 572178661 /nfs/dbraw/zinc/17/86/61/572178661.db2.gz IIVORAYVFBVKKW-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@H]1[NH2+]CCc2cc3c(cc21)CCC3 84347960 572178676 /nfs/dbraw/zinc/17/86/76/572178676.db2.gz XFQQNVSSOJSHAG-SECBINFHSA-N 1 0 187.286 2.382 10 0 AEAERO C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 300377043 572178712 /nfs/dbraw/zinc/17/87/12/572178712.db2.gz KCXUCNBDPMVJCL-RHYQMDGZSA-N 1 0 197.322 2.190 10 0 AEAERO C[C@@H]1CO[C@H](c2cccc(Cl)c2)[NH2+]1 71507613 572178723 /nfs/dbraw/zinc/17/87/23/572178723.db2.gz LOBNKJBKAXKHOV-GMSGAONNSA-N 1 0 197.665 2.347 10 0 AEAERO CC(C)(C)[C@H]1C[NH2+][C@H]1c1cnsc1 712905072 572178733 /nfs/dbraw/zinc/17/87/33/572178733.db2.gz MZCQDZQFAOJGJT-IUCAKERBSA-N 1 0 196.319 2.450 10 0 AEAERO CCCC[N@@H+]1C[C@@H](C)NC[C@@H]1CCC 82935014 572178757 /nfs/dbraw/zinc/17/87/57/572178757.db2.gz ARXJMSOEVNXXBD-NEPJUHHUSA-N 1 0 198.354 2.249 10 0 AEAERO CC[C@H](C)C[N@@H+]1C[C@@H](C)NC[C@@H]1CC 82934948 572178769 /nfs/dbraw/zinc/17/87/69/572178769.db2.gz WRODQEQRRXRBMH-TUAOUCFPSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H]1C[NH+]=C(NCC2(C)CC2)S1 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BTBBZJAUZVRLPL-UHFFFAOYSA-N 1 0 198.354 2.251 10 0 AEAERO CCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC 82926683 572178961 /nfs/dbraw/zinc/17/89/61/572178961.db2.gz KZBDJOHVCSPKOS-NWDGAFQWSA-N 1 0 198.354 2.105 10 0 AEAERO CC(C)(C)[C@@H]1C[NH2+][C@@H]1c1cnsc1 712905075 572179021 /nfs/dbraw/zinc/17/90/21/572179021.db2.gz MZCQDZQFAOJGJT-RKDXNWHRSA-N 1 0 196.319 2.450 10 0 AEAERO CC[C@@]1(C)CNCC[N@@H+]1CCC(C)C 82927228 572179045 /nfs/dbraw/zinc/17/90/45/572179045.db2.gz XEQWBIYZYHIWLZ-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO [NH3+]C[C@@H]1C[C@@H]1c1cccc2cccnc12 70079809 572179047 /nfs/dbraw/zinc/17/90/47/572179047.db2.gz QAODTERWAMRGCM-JQWIXIFHSA-N 1 0 198.269 2.297 10 0 AEAERO CCC[C@H](C)[NH2+]CCc1cccnc1 37717895 572180213 /nfs/dbraw/zinc/18/02/13/572180213.db2.gz SAWCDIVJMIDKRD-NSHDSACASA-N 1 0 192.306 2.402 10 0 AEAERO CCC[NH+](CCC)[C@H](C)C(=O)CC 82946742 572180781 /nfs/dbraw/zinc/18/07/81/572180781.db2.gz ZFQKHQVXADSOJV-SNVBAGLBSA-N 1 0 185.311 2.476 10 0 AEAERO CC(C)CO[C@@H]1CCCCC[C@H]1[NH3+] 19274609 572180787 /nfs/dbraw/zinc/18/07/87/572180787.db2.gz HXZNAVMXPAFVJA-GHMZBOCLSA-N 1 0 185.311 2.319 10 0 AEAERO CO[C@H]1C[C@H](NC(=[NH2+])C(C)C)C1(C)C 300389851 572179366 /nfs/dbraw/zinc/17/93/66/572179366.db2.gz QLAQQSXXQJGMIA-IUCAKERBSA-N 1 0 198.310 2.023 10 0 AEAERO CCC(=O)[C@H](C)[N@H+](CC1CC1)C1CC1 82947858 572179374 /nfs/dbraw/zinc/17/93/74/572179374.db2.gz PJNKJXZXQCNHMQ-VIFPVBQESA-N 1 0 195.306 2.228 10 0 AEAERO CC(C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C 82945186 572179415 /nfs/dbraw/zinc/17/94/15/572179415.db2.gz JHTCXZJUAAABNZ-DCAQKATOSA-N 1 0 197.322 2.188 10 0 AEAERO [NH3+]C[C@H]1C[C@H]1c1cccc2cccnc12 70079806 572179417 /nfs/dbraw/zinc/17/94/17/572179417.db2.gz QAODTERWAMRGCM-ZYHUDNBSSA-N 1 0 198.269 2.297 10 0 AEAERO C[C@@H](C1CC1)[C@H]([NH3+])C[C@@H]1CCCOC1 689403428 572179419 /nfs/dbraw/zinc/17/94/19/572179419.db2.gz LKNOUXAPPGHFGV-JBLDHEPKSA-N 1 0 197.322 2.177 10 0 AEAERO CCC[C@H]1CN[C@H](CC)C[N@@H+]1CCC 82936622 572179449 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CCC[C@](C)([NH3+])Cc1cscn1 83185932 572196666 /nfs/dbraw/zinc/19/66/66/572196666.db2.gz BUBOSPOWXUWLAF-VIFPVBQESA-N 1 0 184.308 2.203 10 0 AEAERO CCC[C@H]([NH3+])Cc1cnc(C)s1 83186450 572196796 /nfs/dbraw/zinc/19/67/96/572196796.db2.gz UYPDPKYRAKZASI-QMMMGPOBSA-N 1 0 184.308 2.121 10 0 AEAERO CC[C@@H](C[NH3+])S[C@H](C)CC 43542404 572196808 /nfs/dbraw/zinc/19/68/08/572196808.db2.gz HBAXNVQMJMOASJ-SFYZADRCSA-N 1 0 161.314 2.255 10 0 AEAERO CCCCC[N@@H+]1[C@@H](C)CCNC[C@H]1C 249912216 572196816 /nfs/dbraw/zinc/19/68/16/572196816.db2.gz YZMOLASJBMXODW-NWDGAFQWSA-N 1 0 198.354 2.249 10 0 AEAERO CCCCNc1[nH+]ccc(C)c1N 36244829 572196844 /nfs/dbraw/zinc/19/68/44/572196844.db2.gz IRTNEQNTMXMGTR-UHFFFAOYSA-N 1 0 179.267 2.184 10 0 AEAERO CCCCCC[C@@]1([NH3+])CCOC1 83186685 572196857 /nfs/dbraw/zinc/19/68/57/572196857.db2.gz DRGRFWXVTYRGSV-SNVBAGLBSA-N 1 0 171.284 2.075 10 0 AEAERO CCCc1cc([C@@H]([NH3+])C(C)C)on1 300973162 572196867 /nfs/dbraw/zinc/19/68/67/572196867.db2.gz SJAFOHSQVLZXSO-JTQLQIEISA-N 1 0 182.267 2.283 10 0 AEAERO CC(C)C1CC(C[NH2+]C2CC2)C1 83181600 572196905 /nfs/dbraw/zinc/19/69/05/572196905.db2.gz XEBLLVUBWKHCGO-UHFFFAOYSA-N 1 0 167.296 2.421 10 0 AEAERO CCCC[C@]([NH3+])(CC)CCOC 83185956 572196895 /nfs/dbraw/zinc/19/68/95/572196895.db2.gz JOTKKGTTXSRFRP-SNVBAGLBSA-N 1 0 173.300 2.321 10 0 AEAERO CCC[C@](C)([NH3+])C[C@H]1CCCO1 83185794 572196900 /nfs/dbraw/zinc/19/69/00/572196900.db2.gz ACFMOFOLMWZUOB-ZJUUUORDSA-N 1 0 171.284 2.073 10 0 AEAERO CCC[C@](C)([NH3+])Cc1ccco1 83185443 572196942 /nfs/dbraw/zinc/19/69/42/572196942.db2.gz CFYZHKVMDKPRIV-JTQLQIEISA-N 1 0 167.252 2.340 10 0 AEAERO CCC[C@@](C)([NH3+])C[C@@H]1CCCO1 83185791 572196947 /nfs/dbraw/zinc/19/69/47/572196947.db2.gz ACFMOFOLMWZUOB-VHSXEESVSA-N 1 0 171.284 2.073 10 0 AEAERO CCCC[C@H](C)[C@H]([NH3+])c1cnccn1 300972009 572196950 /nfs/dbraw/zinc/19/69/50/572196950.db2.gz SDEJYERESUMVPE-ONGXEEELSA-N 1 0 193.294 2.303 10 0 AEAERO CCCCCC[C@]1([NH3+])CCOC1 83186683 572197071 /nfs/dbraw/zinc/19/70/71/572197071.db2.gz DRGRFWXVTYRGSV-JTQLQIEISA-N 1 0 171.284 2.075 10 0 AEAERO CC[C@H](C[NH3+])Oc1ccc(C)cc1 43541663 572197187 /nfs/dbraw/zinc/19/71/87/572197187.db2.gz KFFBQMVPIPRUIC-SNVBAGLBSA-N 1 0 179.263 2.111 10 0 AEAERO CCC([NH3+])(CC)Cc1cscn1 83186228 572197138 /nfs/dbraw/zinc/19/71/38/572197138.db2.gz PWROJWFPHPSNOG-UHFFFAOYSA-N 1 0 184.308 2.203 10 0 AEAERO CC(C)C[C@H](C)CC(=O)CCC[NH3+] 300971847 572197673 /nfs/dbraw/zinc/19/76/73/572197673.db2.gz SEDCDCQBHQLUKQ-JTQLQIEISA-N 1 0 185.311 2.367 10 0 AEAERO CC1(C)CC[C@H]([NH2+]Cc2cnoc2)C1 687793260 572197277 /nfs/dbraw/zinc/19/72/77/572197277.db2.gz DWFCEQLATYVYNQ-JTQLQIEISA-N 1 0 194.278 2.343 10 0 AEAERO [NH3+][C@@]12CCCC[C@H]1Oc1ccccc12 78219898 572197301 /nfs/dbraw/zinc/19/73/01/572197301.db2.gz ACCMPBNJEXGKNI-VXGBXAGGSA-N 1 0 189.258 2.176 10 0 AEAERO CCC[C@@](C)([NH3+])CCOC(C)C 83185830 572197311 /nfs/dbraw/zinc/19/73/11/572197311.db2.gz UUMVOGLCQXWXRY-SNVBAGLBSA-N 1 0 173.300 2.319 10 0 AEAERO CCC[C@]1([C@@H](C)COC)CCC[NH2+]1 687793237 572197323 /nfs/dbraw/zinc/19/73/23/572197323.db2.gz ZUWGVWFRWRSJIR-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO CCCC[C@@]([NH3+])(CC)CCOC 83185955 572197355 /nfs/dbraw/zinc/19/73/55/572197355.db2.gz JOTKKGTTXSRFRP-JTQLQIEISA-N 1 0 173.300 2.321 10 0 AEAERO CCOCC[C@H]([NH3+])[C@H]1CC[C@H](C)C1 687793215 572197371 /nfs/dbraw/zinc/19/73/71/572197371.db2.gz WUVGECXNDCRLCI-DCAQKATOSA-N 1 0 185.311 2.177 10 0 AEAERO CCC[C@](C)([NH3+])CC1CCOCC1 83185732 572197422 /nfs/dbraw/zinc/19/74/22/572197422.db2.gz QOKDDQKDRUFZIX-NSHDSACASA-N 1 0 185.311 2.321 10 0 AEAERO [NH3+][C@H](CCC(F)(F)F)C1CCC1 83121379 572197485 /nfs/dbraw/zinc/19/74/85/572197485.db2.gz ZSKRKVZDHKUJFM-SSDOTTSWSA-N 1 0 181.201 2.456 10 0 AEAERO CC[C@H]1C[C@H]1[NH2+]CC=C(C)C 234089340 572197566 /nfs/dbraw/zinc/19/75/66/572197566.db2.gz TUVVBFVGVADPKG-VHSXEESVSA-N 1 0 153.269 2.341 10 0 AEAERO CCC[C@@](C)([NH3+])Cc1ccco1 83185444 572197664 /nfs/dbraw/zinc/19/76/64/572197664.db2.gz CFYZHKVMDKPRIV-SNVBAGLBSA-N 1 0 167.252 2.340 10 0 AEAERO CCC[C@](C)([NH3+])CCOC(C)C 83185824 572197707 /nfs/dbraw/zinc/19/77/07/572197707.db2.gz UUMVOGLCQXWXRY-JTQLQIEISA-N 1 0 173.300 2.319 10 0 AEAERO CC[C@H]1C[C@H]1[NH2+]CC1CCC1 234089215 572197769 /nfs/dbraw/zinc/19/77/69/572197769.db2.gz SIQDWSMMCKBMAB-VHSXEESVSA-N 1 0 153.269 2.175 10 0 AEAERO CCc1[nH+]c2c(N)cc(C)cn2c1C 36242498 572197783 /nfs/dbraw/zinc/19/77/83/572197783.db2.gz VPNFRMZNINJBME-UHFFFAOYSA-N 1 0 189.262 2.096 10 0 AEAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCOC[C@@H]1C 300972386 572197832 /nfs/dbraw/zinc/19/78/32/572197832.db2.gz HHULAIKAURPJKK-QJPTWQEYSA-N 1 0 199.338 2.293 10 0 AEAERO [NH3+][C@@H](CCC(F)(F)F)C1CCC1 83121381 572197872 /nfs/dbraw/zinc/19/78/72/572197872.db2.gz ZSKRKVZDHKUJFM-ZETCQYMHSA-N 1 0 181.201 2.456 10 0 AEAERO Cc1cc2nc([C@H](C)[NH3+])[nH]c2cc1C 19733979 572197895 /nfs/dbraw/zinc/19/78/95/572197895.db2.gz LNYIOIQCFGVDHJ-QMMMGPOBSA-N 1 0 189.262 2.199 10 0 AEAERO CCCC[C@@H](C)[C@@H]([NH3+])c1cnccn1 300972007 572197930 /nfs/dbraw/zinc/19/79/30/572197930.db2.gz SDEJYERESUMVPE-MWLCHTKSSA-N 1 0 193.294 2.303 10 0 AEAERO CCCC[C@@H](C)[C@H]([NH3+])c1cnccn1 300972005 572197994 /nfs/dbraw/zinc/19/79/94/572197994.db2.gz SDEJYERESUMVPE-KOLCDFICSA-N 1 0 193.294 2.303 10 0 AEAERO CS[C@@H]1CCCC[C@H]1[NH2+]CCF 235181504 572197995 /nfs/dbraw/zinc/19/79/95/572197995.db2.gz CQGSAEHBEMLZJS-RKDXNWHRSA-N 1 0 191.315 2.220 10 0 AEAERO C[C@H]([NH3+])c1cn2cc(Cl)ccc2n1 19765395 572198049 /nfs/dbraw/zinc/19/80/49/572198049.db2.gz TWHXJACSCQDSAD-LURJTMIESA-N 1 0 195.653 2.007 10 0 AEAERO CO[C@@H](C)CN(C)C(=[NH2+])C1CCCC1 388668177 572198044 /nfs/dbraw/zinc/19/80/44/572198044.db2.gz CEJOZGGJETYFOT-VIFPVBQESA-N 1 0 198.310 2.121 10 0 AEAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1O 687793262 572198065 /nfs/dbraw/zinc/19/80/65/572198065.db2.gz FKVCMHRIPGQKKS-GHMZBOCLSA-N 1 0 185.311 2.070 10 0 AEAERO CCCc1cc([C@H]([NH3+])C(C)C)on1 300973163 572198077 /nfs/dbraw/zinc/19/80/77/572198077.db2.gz SJAFOHSQVLZXSO-SNVBAGLBSA-N 1 0 182.267 2.283 10 0 AEAERO C[C@@H]([NH2+]CC1(C)CCC1)c1cc[nH]n1 235181224 572198092 /nfs/dbraw/zinc/19/80/92/572198092.db2.gz RGTMCMRTLPDGRT-SECBINFHSA-N 1 0 193.294 2.251 10 0 AEAERO CC[C@H](c1cccc(N)c1)[NH+](C)C 19730890 572198100 /nfs/dbraw/zinc/19/81/00/572198100.db2.gz JPRSIAFHKYVECO-LLVKDONJSA-N 1 0 178.279 2.282 10 0 AEAERO CCC[C@@](C)([NH3+])Cc1cscn1 83185937 572198107 /nfs/dbraw/zinc/19/81/07/572198107.db2.gz BUBOSPOWXUWLAF-SECBINFHSA-N 1 0 184.308 2.203 10 0 AEAERO CCCC[C@H](C)[C@@H]([NH3+])COCC 300971988 572198137 /nfs/dbraw/zinc/19/81/37/572198137.db2.gz SCYKMJSSYRCLBP-UWVGGRQHSA-N 1 0 173.300 2.177 10 0 AEAERO CCCCCNc1cc[nH+]cc1N 19755372 572198190 /nfs/dbraw/zinc/19/81/90/572198190.db2.gz QYZCGNWVZDKNGQ-UHFFFAOYSA-N 1 0 179.267 2.266 10 0 AEAERO CCCC[C@H](C)[C@H]([NH3+])COCC 300971989 572198193 /nfs/dbraw/zinc/19/81/93/572198193.db2.gz SCYKMJSSYRCLBP-VHSXEESVSA-N 1 0 173.300 2.177 10 0 AEAERO CCCCC[N@@H+]1[C@H](C)CCNC[C@H]1C 249912220 572198202 /nfs/dbraw/zinc/19/82/02/572198202.db2.gz YZMOLASJBMXODW-VXGBXAGGSA-N 1 0 198.354 2.249 10 0 AEAERO CCCC[C@@H](C)[C@H]([NH3+])COCC 300971987 572198217 /nfs/dbraw/zinc/19/82/17/572198217.db2.gz SCYKMJSSYRCLBP-NXEZZACHSA-N 1 0 173.300 2.177 10 0 AEAERO CCC[C@@](C)([NH3+])CC1CCOCC1 83185734 572198264 /nfs/dbraw/zinc/19/82/64/572198264.db2.gz QOKDDQKDRUFZIX-LLVKDONJSA-N 1 0 185.311 2.321 10 0 AEAERO CCC[C@@]1([C@H](C)COC)CCC[NH2+]1 687793235 572198347 /nfs/dbraw/zinc/19/83/47/572198347.db2.gz ZUWGVWFRWRSJIR-MNOVXSKESA-N 1 0 185.311 2.191 10 0 AEAERO CCOCC[C@H]([NH3+])[C@@H]1CC[C@H](C)C1 687793214 572198359 /nfs/dbraw/zinc/19/83/59/572198359.db2.gz WUVGECXNDCRLCI-AXFHLTTASA-N 1 0 185.311 2.177 10 0 AEAERO Cc1cccc(CCC[NH3+])c1C 36203744 572198370 /nfs/dbraw/zinc/19/83/70/572198370.db2.gz IASRTYIZBFBSGQ-UHFFFAOYSA-N 1 0 163.264 2.195 10 0 AEAERO CC[C@H](c1ccc(N)cc1)[NH+](C)C 19731187 572198376 /nfs/dbraw/zinc/19/83/76/572198376.db2.gz LBAIRABZODRCIS-LLVKDONJSA-N 1 0 178.279 2.282 10 0 AEAERO Cc1cc(Cl)ccc1NCC[NH3+] 19732726 572198393 /nfs/dbraw/zinc/19/83/93/572198393.db2.gz QVOUKCSWHXQGAV-UHFFFAOYSA-N 1 0 184.670 2.019 10 0 AEAERO CCC[C@]1([C@H](C)COC)CCC[NH2+]1 687793234 572198410 /nfs/dbraw/zinc/19/84/10/572198410.db2.gz ZUWGVWFRWRSJIR-GHMZBOCLSA-N 1 0 185.311 2.191 10 0 AEAERO C[C@@H](c1cccc(N)c1)[NH+]1CCCC1 19730808 572198412 /nfs/dbraw/zinc/19/84/12/572198412.db2.gz VGKANWQCYXBXAO-JTQLQIEISA-N 1 0 190.290 2.426 10 0 AEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1O 687793265 572198417 /nfs/dbraw/zinc/19/84/17/572198417.db2.gz FKVCMHRIPGQKKS-WDEREUQCSA-N 1 0 185.311 2.070 10 0 AEAERO C[NH+](C)[C@H](c1ccc(N)cc1)C1CC1 19731321 572198481 /nfs/dbraw/zinc/19/84/81/572198481.db2.gz ORZCITRMJAMSHE-LBPRGKRZSA-N 1 0 190.290 2.282 10 0 AEAERO CO[C@H](C)CN(C)C(=[NH2+])C1CCCC1 388668175 572198509 /nfs/dbraw/zinc/19/85/09/572198509.db2.gz CEJOZGGJETYFOT-SECBINFHSA-N 1 0 198.310 2.121 10 0 AEAERO C[C@H](c1cccc(N)c1)[NH+]1CCCC1 19730807 572198519 /nfs/dbraw/zinc/19/85/19/572198519.db2.gz VGKANWQCYXBXAO-SNVBAGLBSA-N 1 0 190.290 2.426 10 0 AEAERO CC[C@H](C[NH3+])SCC(C)C 43542375 572198595 /nfs/dbraw/zinc/19/85/95/572198595.db2.gz LDXYPCVWPXIEHR-MRVPVSSYSA-N 1 0 161.314 2.113 10 0 AEAERO CC(C)C[C@@H](C)CC(=O)CCC[NH3+] 300971848 572198610 /nfs/dbraw/zinc/19/86/10/572198610.db2.gz SEDCDCQBHQLUKQ-SNVBAGLBSA-N 1 0 185.311 2.367 10 0 AEAERO CC[C@@H](C)S[C@H](CC)C[NH3+] 43542406 572198669 /nfs/dbraw/zinc/19/86/69/572198669.db2.gz HBAXNVQMJMOASJ-HTQZYQBOSA-N 1 0 161.314 2.255 10 0 AEAERO CC[NH2+][C@H](C(C)C)[C@H]1CCOC[C@H]1C 300972381 572198734 /nfs/dbraw/zinc/19/87/34/572198734.db2.gz HHULAIKAURPJKK-GRYCIOLGSA-N 1 0 199.338 2.293 10 0 AEAERO CCC[C@@](C)([NH3+])C[C@H]1CCCO1 83185796 572198772 /nfs/dbraw/zinc/19/87/72/572198772.db2.gz ACFMOFOLMWZUOB-NXEZZACHSA-N 1 0 171.284 2.073 10 0 AEAERO CCCCS[C@H](CC)C[NH3+] 43542573 572198781 /nfs/dbraw/zinc/19/87/81/572198781.db2.gz GYQYQAYWJBLYME-MRVPVSSYSA-N 1 0 161.314 2.257 10 0 AEAERO Cc1ncsc1CC[C@H]([NH3+])C(C)C 83186483 572198809 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10 0 AEAERO CC(C)C[C@H](C)CC(=O)C(C)(C)[NH3+] 300994205 572233424 /nfs/dbraw/zinc/23/34/24/572233424.db2.gz WCCYKNSVCQMSAY-VIFPVBQESA-N 1 0 185.311 2.365 10 0 AEAERO [NH3+]CC1(CC[C@@H]2CCCO2)CCCC1 83530893 572233441 /nfs/dbraw/zinc/23/34/41/572233441.db2.gz BOSIRPFCEHLDJX-NSHDSACASA-N 1 0 197.322 2.465 10 0 AEAERO CC(C)CSCC(=[NH2+])NC(C)C 83497920 572233456 /nfs/dbraw/zinc/23/34/56/572233456.db2.gz PAHPAGCTLBUSQG-UHFFFAOYSA-N 1 0 188.340 2.351 10 0 AEAERO CC(C)[C@H](C[NH3+])CC[C@H]1CCCO1 83530715 572233465 /nfs/dbraw/zinc/23/34/65/572233465.db2.gz FCZAFFXHEGFPIE-WDEREUQCSA-N 1 0 185.311 2.177 10 0 AEAERO C1C[NH2+][C@H](CCC[C@@H]2CCCO2)C1 83531432 572233489 /nfs/dbraw/zinc/23/34/89/572233489.db2.gz NGHYVTBSHVHKBV-GHMZBOCLSA-N 1 0 183.295 2.088 10 0 AEAERO C1C[NH2+]C[C@@H](CCC[C@@H]2CCCO2)C1 83531499 572233513 /nfs/dbraw/zinc/23/35/13/572233513.db2.gz GCAKTGCEHMMXCM-NWDGAFQWSA-N 1 0 197.322 2.335 10 0 AEAERO [NH3+]CCCCCC[C@H]1CCCO1 83531611 572233595 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AEAERO C[NH2+][C@H](CC(C)(C)C)[C@]12COC[C@H]1C2 713237078 572233755 /nfs/dbraw/zinc/23/37/55/572233755.db2.gz YZUULVYNVXNNPH-CKYFFXLPSA-N 1 0 197.322 2.047 10 0 AEAERO CC[C@@H](CC[C@H]1CCCO1)C[NH2+]C 83530841 572233756 /nfs/dbraw/zinc/23/37/56/572233756.db2.gz HLXZJAUKNLBOLB-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO C[NH2+]C[C@@H](CC[C@H]1CCCO1)C(C)C 83530814 572233757 /nfs/dbraw/zinc/23/37/57/572233757.db2.gz ZVGRCJRMCMCHOA-VXGBXAGGSA-N 1 0 199.338 2.437 10 0 AEAERO C/C=C/CN1C[C@@H](C)[NH2+]C[C@@]1(C)CC 234123874 572233762 /nfs/dbraw/zinc/23/37/62/572233762.db2.gz CESKXXRADQNWMI-ONYUAGEFSA-N 1 0 196.338 2.025 10 0 AEAERO C[NH2+]CC(C)(C)CC[C@@H]1CCCO1 83530931 572233808 /nfs/dbraw/zinc/23/38/08/572233808.db2.gz CAMLUCKEIGKGMX-JTQLQIEISA-N 1 0 185.311 2.191 10 0 AEAERO CC(C)C[NH2+][C@H](C)C1(C)CC1 36984233 572233823 /nfs/dbraw/zinc/23/38/23/572233823.db2.gz KVYWJHSBVRUQIT-SECBINFHSA-N 1 0 155.285 2.421 10 0 AEAERO CC(C)CO[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 36993877 572233830 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/nfs/dbraw/zinc/23/40/14/572234014.db2.gz HDVZTDGPJCMGCX-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO [NH2+]=C(CSC1CCCC1)NC1CC1 83500959 572234017 /nfs/dbraw/zinc/23/40/17/572234017.db2.gz TTZFZVICRSDNEM-UHFFFAOYSA-N 1 0 198.335 2.391 10 0 AEAERO CC[C@@H](C[NH3+])CCC[C@@H]1CCCO1 83530718 572234021 /nfs/dbraw/zinc/23/40/21/572234021.db2.gz JSOBWOWQEQLKAH-GHMZBOCLSA-N 1 0 185.311 2.321 10 0 AEAERO [NH3+]CCCCCC[C@@H]1CCCO1 83531612 572234023 /nfs/dbraw/zinc/23/40/23/572234023.db2.gz DRKQQFCHSNCAOX-SNVBAGLBSA-N 1 0 171.284 2.075 10 0 AEAERO CC(C)(C[NH3+])CCC[C@@H]1CCCO1 83530883 572234027 /nfs/dbraw/zinc/23/40/27/572234027.db2.gz FPSFVMLMOQIBLH-SNVBAGLBSA-N 1 0 185.311 2.321 10 0 AEAERO C(CC[NH2+]C1CC1)CC[C@H]1CCCO1 83530733 572234029 /nfs/dbraw/zinc/23/40/29/572234029.db2.gz URGULXQUCVSLQP-LBPRGKRZSA-N 1 0 197.322 2.478 10 0 AEAERO CCC(CC)[C@H](C)NC(=[NH2+])NC1CC1 70533485 572234054 /nfs/dbraw/zinc/23/40/54/572234054.db2.gz WTJIMZLYOMKWQI-QMMMGPOBSA-N 1 0 197.326 2.087 10 0 AEAERO 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2.452 10 0 AEAERO CCCOC[C@@H](C)[C@H](C)[NH2+]C(C)C 87146126 572385863 /nfs/dbraw/zinc/38/58/63/572385863.db2.gz WEEVKYMEFDKKCG-MNOVXSKESA-N 1 0 187.327 2.436 10 0 AEAERO CC[NH2+][C@@H](C)[C@H](C)Cc1ccncc1 87145498 572385868 /nfs/dbraw/zinc/38/58/68/572385868.db2.gz XKYMQLDJEWFOIV-MNOVXSKESA-N 1 0 192.306 2.258 10 0 AEAERO CC[N@H+](C[C@@H]1CCCCC1=O)C1CC1 60720054 572385913 /nfs/dbraw/zinc/38/59/13/572385913.db2.gz VYAXTBBVQXJOCS-JTQLQIEISA-N 1 0 195.306 2.230 10 0 AEAERO CCC(CC)n1cc([C@H](C)[NH3+])cn1 87173829 572385943 /nfs/dbraw/zinc/38/59/43/572385943.db2.gz XPKORXDEHIPSNU-QMMMGPOBSA-N 1 0 181.283 2.264 10 0 AEAERO CC[C@]([NH3+])(C[C@H]1CCCOC1)C1CC1 689629081 572387156 /nfs/dbraw/zinc/38/71/56/572387156.db2.gz NUBDQBHIVJXTKT-PWSUYJOCSA-N 1 0 197.322 2.321 10 0 AEAERO CCC(=O)C[N@@H+]1C[C@H]2CCCCC[C@H]21 687938480 572385963 /nfs/dbraw/zinc/38/59/63/572385963.db2.gz ZYTHLSNCBNAFEQ-ZYHUDNBSSA-N 1 0 195.306 2.230 10 0 AEAERO CC(C)[N@H+](CCF)C[C@H]1C[C@@H]1C 308002172 572386036 /nfs/dbraw/zinc/38/60/36/572386036.db2.gz BMEFXERIRORLFT-VHSXEESVSA-N 1 0 173.275 2.322 10 0 AEAERO Cc1c(CCC[NH3+])ccc(F)c1F 44280680 572386129 /nfs/dbraw/zinc/38/61/29/572386129.db2.gz YVLPJMJSLWNMSO-UHFFFAOYSA-N 1 0 185.217 2.165 10 0 AEAERO CC[NH2+]Cc1ncc(C(C)(C)C)o1 88300758 572386169 /nfs/dbraw/zinc/38/61/69/572386169.db2.gz PNULMXIABRTYGW-UHFFFAOYSA-N 1 0 182.267 2.082 10 0 AEAERO Cc1cc(Cl)c(O)c(CCC[NH3+])c1 44282482 572386266 /nfs/dbraw/zinc/38/62/66/572386266.db2.gz IECQKLJENLDMCN-UHFFFAOYSA-N 1 0 199.681 2.245 10 0 AEAERO CC(C)[N@H+](CCF)C[C@H]1C[C@H]1C 308002168 572386299 /nfs/dbraw/zinc/38/62/99/572386299.db2.gz BMEFXERIRORLFT-NXEZZACHSA-N 1 0 173.275 2.322 10 0 AEAERO CCCCC[C@@]1(O)CCCC[C@@H]1[NH2+]C 238225295 572386380 /nfs/dbraw/zinc/38/63/80/572386380.db2.gz RAEGPEIRHMSKNR-NWDGAFQWSA-N 1 0 199.338 2.460 10 0 AEAERO CCC(CC)[C@](C)(O)C[NH2+]C(C)C 87175978 572386482 /nfs/dbraw/zinc/38/64/82/572386482.db2.gz XCHILTDAUNGBMH-LLVKDONJSA-N 1 0 187.327 2.172 10 0 AEAERO CCC(CC)[N@@H+]1CCNC[C@@]1(C)CC 87175474 572386490 /nfs/dbraw/zinc/38/64/90/572386490.db2.gz ATPSYCAWOHKABV-GFCCVEGCSA-N 1 0 198.354 2.249 10 0 AEAERO CC(C)[N@H+](CCF)C[C@@H]1C[C@H]1C 308002174 572386506 /nfs/dbraw/zinc/38/65/06/572386506.db2.gz BMEFXERIRORLFT-ZJUUUORDSA-N 1 0 173.275 2.322 10 0 AEAERO CC[C@@](C)(C[NH3+])Cc1cccc(O)c1 87182979 572387172 /nfs/dbraw/zinc/38/71/72/572387172.db2.gz UVCAQKSFPBFHFX-GFCCVEGCSA-N 1 0 193.290 2.310 10 0 AEAERO CCC[C@H]([NH3+])CCc1ccc[nH]1 308005949 572386516 /nfs/dbraw/zinc/38/65/16/572386516.db2.gz LQLYIMBTMRCKOJ-VIFPVBQESA-N 1 0 166.268 2.075 10 0 AEAERO C[NH2+]C[C@@H](C)CCc1cccc(O)c1 87183891 572386543 /nfs/dbraw/zinc/38/65/43/572386543.db2.gz VBFXGAXDMVXLSQ-JTQLQIEISA-N 1 0 193.290 2.180 10 0 AEAERO CC[C@H](CCc1cccc(O)c1)[NH2+]C 87178810 572386611 /nfs/dbraw/zinc/38/66/11/572386611.db2.gz KKXPTQMPBJTRPV-LLVKDONJSA-N 1 0 193.290 2.323 10 0 AEAERO COCCCC[C@H]1CC[NH2+][C@H](C)C1 686341578 572387180 /nfs/dbraw/zinc/38/71/80/572387180.db2.gz BCHDCHPGAGSBAP-MNOVXSKESA-N 1 0 185.311 2.191 10 0 AEAERO C[NH2+]C[C@H](C)CCc1ccc(O)cc1 87183896 572386666 /nfs/dbraw/zinc/38/66/66/572386666.db2.gz JPMPHYYGIIBGMV-SNVBAGLBSA-N 1 0 193.290 2.180 10 0 AEAERO CCC[C@H]1CNCC[N@@H+]1C(CC)CC 87175461 572386684 /nfs/dbraw/zinc/38/66/84/572386684.db2.gz FKKBLUSKNRTFLB-LBPRGKRZSA-N 1 0 198.354 2.249 10 0 AEAERO C[C@@H](Cc1ccc(O)cc1)C[C@@H](C)[NH3+] 87183935 572386720 /nfs/dbraw/zinc/38/67/20/572386720.db2.gz XMZXCKHEQBBNML-NXEZZACHSA-N 1 0 193.290 2.308 10 0 AEAERO C[NH2+][C@H](C)[C@@H](C)Cc1cccc(O)c1 87178847 572386735 /nfs/dbraw/zinc/38/67/35/572386735.db2.gz INZQMXZHDSDYRH-VHSXEESVSA-N 1 0 193.290 2.179 10 0 AEAERO C[NH2+][C@@H](C)[C@@H](C)Cc1cccc(O)c1 87178851 572386765 /nfs/dbraw/zinc/38/67/65/572386765.db2.gz INZQMXZHDSDYRH-UWVGGRQHSA-N 1 0 193.290 2.179 10 0 AEAERO C[NH2+]CC(C)(C)Cc1cccc(O)c1 87182994 572386818 /nfs/dbraw/zinc/38/68/18/572386818.db2.gz XTXQXTXBUYIVJU-UHFFFAOYSA-N 1 0 193.290 2.180 10 0 AEAERO CC(C)[C@@H](C[NH3+])Cc1cccc(O)c1 87182793 572386834 /nfs/dbraw/zinc/38/68/34/572386834.db2.gz JYSVTSFWMSUFRT-LLVKDONJSA-N 1 0 193.290 2.166 10 0 AEAERO CC[NH2+][C@H](CN(C)[C@H](C)CC)C1CC1 252034307 572386841 /nfs/dbraw/zinc/38/68/41/572386841.db2.gz ZXYAECVANJYBHW-ZYHUDNBSSA-N 1 0 198.354 2.105 10 0 AEAERO CCCC[C@H]([NH2+]CCC)c1nnc[nH]1 83746844 572386864 /nfs/dbraw/zinc/38/68/64/572386864.db2.gz JTZFJKOKNHZADK-VIFPVBQESA-N 1 0 196.298 2.036 10 0 AEAERO CCC[C@@H]([NH3+])Cc1ccc(C)c(O)c1 238224785 572386902 /nfs/dbraw/zinc/38/69/02/572386902.db2.gz BUKPQKOYGYZQMW-LLVKDONJSA-N 1 0 193.290 2.371 10 0 AEAERO CC[C@H](Cc1cccc(O)c1)[C@@H](C)[NH3+] 87178903 572386910 /nfs/dbraw/zinc/38/69/10/572386910.db2.gz YFGDWLSWXZIPMQ-MWLCHTKSSA-N 1 0 193.290 2.308 10 0 AEAERO CC[C@H]([NH3+])CCCc1cccc(O)c1 87183697 572386916 /nfs/dbraw/zinc/38/69/16/572386916.db2.gz QNJAELLCSUHZOF-NSHDSACASA-N 1 0 193.290 2.452 10 0 AEAERO C[NH2+]CC(C)(C)Cc1ccc(O)cc1 87182997 572386955 /nfs/dbraw/zinc/38/69/55/572386955.db2.gz JUQAPDAUNICVKP-UHFFFAOYSA-N 1 0 193.290 2.180 10 0 AEAERO CC[NH2+]C[C@H](C)Cc1ccc(O)cc1 87182830 572386973 /nfs/dbraw/zinc/38/69/73/572386973.db2.gz XQONBOFVHYTRQU-SNVBAGLBSA-N 1 0 193.290 2.180 10 0 AEAERO C[C@@H](Cc1cccc(O)c1)C[C@@H](C)[NH3+] 87183928 572387228 /nfs/dbraw/zinc/38/72/28/572387228.db2.gz HEDKBSDNHLPJRO-NXEZZACHSA-N 1 0 193.290 2.308 10 0 AEAERO CC[C@H](C)[C@H]1CSCC[C@@H]1[NH3+] 76600109 572387026 /nfs/dbraw/zinc/38/70/26/572387026.db2.gz WQFZJXKQAJGDRV-YIZRAAEISA-N 1 0 173.325 2.113 10 0 AEAERO [NH3+][C@H](CCc1cccc(O)c1)C1CC1 87179083 572387044 /nfs/dbraw/zinc/38/70/44/572387044.db2.gz CBKKFZIALBDGEW-GFCCVEGCSA-N 1 0 191.274 2.062 10 0 AEAERO CCC(CC)C1(O)CCC([NH2+]C)CC1 87175888 572387052 /nfs/dbraw/zinc/38/70/52/572387052.db2.gz AQHHDVOORPNCMS-UHFFFAOYSA-N 1 0 199.338 2.316 10 0 AEAERO CC[C@@H](Cc1ccc(O)cc1)[C@@H](C)[NH3+] 87178910 572387063 /nfs/dbraw/zinc/38/70/63/572387063.db2.gz FAQZEHXOTTVFOT-KOLCDFICSA-N 1 0 193.290 2.308 10 0 AEAERO CC[C@H](C)[C@@H]1CSCC[C@@H]1[NH3+] 76600103 572387087 /nfs/dbraw/zinc/38/70/87/572387087.db2.gz WQFZJXKQAJGDRV-CIUDSAMLSA-N 1 0 173.325 2.113 10 0 AEAERO C[C@@H]([NH3+])C[C@H](C)Cc1cccc(O)c1 87183930 572387102 /nfs/dbraw/zinc/38/71/02/572387102.db2.gz HEDKBSDNHLPJRO-VHSXEESVSA-N 1 0 193.290 2.308 10 0 AEAERO CCCC[C@@H]([NH2+]CCC)c1nnc[nH]1 83746845 572387403 /nfs/dbraw/zinc/38/74/03/572387403.db2.gz JTZFJKOKNHZADK-SECBINFHSA-N 1 0 196.298 2.036 10 0 AEAERO CC(C)[C@@H]([NH3+])CCc1cccc(O)c1 87178765 572387676 /nfs/dbraw/zinc/38/76/76/572387676.db2.gz VCBNBBZTEMOFBD-LBPRGKRZSA-N 1 0 193.290 2.308 10 0 AEAERO CCC[NH2+]C[C@](C)(O)C(CC)CC 87175971 572387315 /nfs/dbraw/zinc/38/73/15/572387315.db2.gz PFDPSACCGIVOPL-NSHDSACASA-N 1 0 187.327 2.173 10 0 AEAERO CCC[C@@H]([NH3+])CCc1ccc(O)cc1 87178746 572387319 /nfs/dbraw/zinc/38/73/19/572387319.db2.gz WHGHKPUQKLKNDJ-LLVKDONJSA-N 1 0 193.290 2.452 10 0 AEAERO CCC([NH3+])(CC)Cc1cccc(O)c1 87180173 572387329 /nfs/dbraw/zinc/38/73/29/572387329.db2.gz PPRHZHKJSIPLAK-UHFFFAOYSA-N 1 0 193.290 2.452 10 0 AEAERO CCC[C@H](C[NH3+])Cc1cccc(O)c1 87182782 572387359 /nfs/dbraw/zinc/38/73/59/572387359.db2.gz RORAQMHUOZAMJB-NSHDSACASA-N 1 0 193.290 2.310 10 0 AEAERO CCCCC[C@@]1(CC)[NH2+]CCO1 238225101 572387368 /nfs/dbraw/zinc/38/73/68/572387368.db2.gz POPAYGCWRBJGNB-JTQLQIEISA-N 1 0 171.284 2.293 10 0 AEAERO [NH3+][C@H](CCc1ccc(O)cc1)C1CC1 87179087 572387401 /nfs/dbraw/zinc/38/74/01/572387401.db2.gz CNGRZZSRNWRKHV-GFCCVEGCSA-N 1 0 191.274 2.062 10 0 AEAERO CCC[C@@H](C[NH3+])Cc1cccc(O)c1 87182785 572387432 /nfs/dbraw/zinc/38/74/32/572387432.db2.gz RORAQMHUOZAMJB-LLVKDONJSA-N 1 0 193.290 2.310 10 0 AEAERO CC[C@H](Cc1cccc(O)c1)[C@H](C)[NH3+] 87178908 572387437 /nfs/dbraw/zinc/38/74/37/572387437.db2.gz YFGDWLSWXZIPMQ-GXSJLCMTSA-N 1 0 193.290 2.308 10 0 AEAERO C[NH2+][C@H](C)[C@H](C)Cc1cccc(O)c1 87178849 572387875 /nfs/dbraw/zinc/38/78/75/572387875.db2.gz INZQMXZHDSDYRH-NXEZZACHSA-N 1 0 193.290 2.179 10 0 AEAERO CC(C)[C@@H](C[NH3+])Cc1ccc(O)cc1 87182797 572387578 /nfs/dbraw/zinc/38/75/78/572387578.db2.gz SPUWMZHOZVFVML-LLVKDONJSA-N 1 0 193.290 2.166 10 0 AEAERO CC[NH2+]C[C@@H](C)Cc1cccc(O)c1 87182823 572387611 /nfs/dbraw/zinc/38/76/11/572387611.db2.gz YGYOGGYIKLGJIL-JTQLQIEISA-N 1 0 193.290 2.180 10 0 AEAERO CC[C@](C)(C[NH3+])Cc1ccc(O)cc1 87182982 572387648 /nfs/dbraw/zinc/38/76/48/572387648.db2.gz VXMFOVKJDAADIJ-LBPRGKRZSA-N 1 0 193.290 2.310 10 0 AEAERO CC[C@@]([NH3+])(C[C@H]1CCCOC1)C1CC1 689629082 572387678 /nfs/dbraw/zinc/38/76/78/572387678.db2.gz NUBDQBHIVJXTKT-ZYHUDNBSSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@H]([NH3+])C[C@@H](C)Cc1ccc(O)cc1 87183939 572387687 /nfs/dbraw/zinc/38/76/87/572387687.db2.gz XMZXCKHEQBBNML-ZJUUUORDSA-N 1 0 193.290 2.308 10 0 AEAERO Oc1ccc(CCC[NH2+]C2CC2)cc1 87182812 572387702 /nfs/dbraw/zinc/38/77/02/572387702.db2.gz BOVFOWQKQZKWLR-UHFFFAOYSA-N 1 0 191.274 2.077 10 0 AEAERO CCC[C@@H]1CNCC[N@@H+]1C(CC)CC 87175458 572387706 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FHLNIMIUIFNZHI-JTQLQIEISA-N 1 0 196.294 2.455 10 0 AEAERO CSCC[NH2+][C@@H]1C=CCCC1 235053706 572450786 /nfs/dbraw/zinc/45/07/86/572450786.db2.gz CCDDBONMOZVKJG-SECBINFHSA-N 1 0 171.309 2.048 10 0 AEAERO C[NH2+][C@@H](CCC1CC1)C1CCOCC1 83939107 572450831 /nfs/dbraw/zinc/45/08/31/572450831.db2.gz AOLSIHLFSQDCBU-LBPRGKRZSA-N 1 0 197.322 2.191 10 0 AEAERO Cc1ncc(C[C@@H]([NH3+])CCC(C)C)o1 74241316 572450934 /nfs/dbraw/zinc/45/09/34/572450934.db2.gz ICBPFIYQGRKUOV-JTQLQIEISA-N 1 0 196.294 2.289 10 0 AEAERO Cc1cnc(C[C@H]([NH3+])C2(C)CC2)s1 74240922 572450943 /nfs/dbraw/zinc/45/09/43/572450943.db2.gz PJUYYJDNBDTAJT-QMMMGPOBSA-N 1 0 196.319 2.121 10 0 AEAERO Nc1cc(C[NH+]2CCCCC2)cs1 74240945 572450956 /nfs/dbraw/zinc/45/09/56/572450956.db2.gz LXCGZZOMIVJQOJ-UHFFFAOYSA-N 1 0 196.319 2.316 10 0 AEAERO CC[NH2+][C@@H](CCOC)CCC1CC1 83937791 572451002 /nfs/dbraw/zinc/45/10/02/572451002.db2.gz NEIGIPVPMAUVFW-LLVKDONJSA-N 1 0 185.311 2.191 10 0 AEAERO [NH3+][C@@H](CCC1CC1)c1ccoc1 83938548 572451007 /nfs/dbraw/zinc/45/10/07/572451007.db2.gz NEWDRVZZDGQSBS-JTQLQIEISA-N 1 0 165.236 2.470 10 0 AEAERO C[NH2+][C@H](CCC1CC1)[C@@H]1C[C@H]1C 83939436 572451022 /nfs/dbraw/zinc/45/10/22/572451022.db2.gz LFISRMXJSPSRRW-FBIMIBRVSA-N 1 0 167.296 2.421 10 0 AEAERO [NH3+][C@H](CCC1CC1)c1ccco1 83938214 572451025 /nfs/dbraw/zinc/45/10/25/572451025.db2.gz CIXFMORHJIKTCL-SECBINFHSA-N 1 0 165.236 2.470 10 0 AEAERO CCc1nc(CC(C)C)oc1[C@H](C)[NH3+] 74241266 572451051 /nfs/dbraw/zinc/45/10/51/572451051.db2.gz JOORVDZFNPWOPH-QMMMGPOBSA-N 1 0 196.294 2.455 10 0 AEAERO CCCOC[C@H](CCC1CC1)[NH2+]C 83937995 572451058 /nfs/dbraw/zinc/45/10/58/572451058.db2.gz QGVXEVSNMCWQJA-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO [NH3+][C@H](CCC1CC1)c1cccnc1 83937171 572451188 /nfs/dbraw/zinc/45/11/88/572451188.db2.gz UXBAKLNWIOGFPT-LLVKDONJSA-N 1 0 176.263 2.272 10 0 AEAERO CC[NH2+][C@H](CCC1CC1)[C@H]1CCCO1 83939041 572451221 /nfs/dbraw/zinc/45/12/21/572451221.db2.gz QWWMFVUSKSLNSA-VXGBXAGGSA-N 1 0 197.322 2.334 10 0 AEAERO Cc1cc(N)c(C[NH+]2CCCC2)s1 74240939 572451216 /nfs/dbraw/zinc/45/12/16/572451216.db2.gz QXRXMLSBATUACF-UHFFFAOYSA-N 1 0 196.319 2.235 10 0 AEAERO OCC[N@H+](CCC1CC1)C1CCCC1 83939898 572451367 /nfs/dbraw/zinc/45/13/67/572451367.db2.gz ZXFZLLIPHGMHIO-UHFFFAOYSA-N 1 0 197.322 2.023 10 0 AEAERO CCO[C@H](C)[C@H](CCC1CC1)[NH2+]C 83938638 572451259 /nfs/dbraw/zinc/45/12/59/572451259.db2.gz HYPYAVXKTXECEY-KOLCDFICSA-N 1 0 185.311 2.190 10 0 AEAERO [NH3+][C@H](CCC1CC1)c1ccncc1 83937176 572451314 /nfs/dbraw/zinc/45/13/14/572451314.db2.gz IUEWJUSGXXQBMS-LLVKDONJSA-N 1 0 176.263 2.272 10 0 AEAERO [NH3+][C@@H](CCC1CC1)C[C@@H]1CCCO1 83937230 572451318 /nfs/dbraw/zinc/45/13/18/572451318.db2.gz AZLDZHRPVNWWQA-QWRGUYRKSA-N 1 0 183.295 2.073 10 0 AEAERO C[NH2+][C@H](CCC1CC1)C1CCOCC1 83939111 572451329 /nfs/dbraw/zinc/45/13/29/572451329.db2.gz AOLSIHLFSQDCBU-GFCCVEGCSA-N 1 0 197.322 2.191 10 0 AEAERO CC[NH+](CC)CCc1c[nH]cc1C 238247920 572451355 /nfs/dbraw/zinc/45/13/55/572451355.db2.gz GSLAFQPXWZSAQR-UHFFFAOYSA-N 1 0 180.295 2.207 10 0 AEAERO [NH3+][C@@H](CCC1CC1)CC(F)(F)F 83937749 572451380 /nfs/dbraw/zinc/45/13/80/572451380.db2.gz FXEFSUZJLKEKFF-ZETCQYMHSA-N 1 0 181.201 2.456 10 0 AEAERO CCC[NH2+][C@H](CCC1CC1)COC 83937841 572451406 /nfs/dbraw/zinc/45/14/06/572451406.db2.gz BJUMNIMCMLQSDS-LLVKDONJSA-N 1 0 185.311 2.191 10 0 AEAERO C[NH2+][C@H](CCC1CC1)[C@H]1C[C@@H]1C 83939435 572451414 /nfs/dbraw/zinc/45/14/14/572451414.db2.gz LFISRMXJSPSRRW-INTQDDNPSA-N 1 0 167.296 2.421 10 0 AEAERO CCC[C@H]([NH3+])c1ccc(CCO)cc1 238246611 572451418 /nfs/dbraw/zinc/45/14/18/572451418.db2.gz NZFXQGFVXULBAQ-LBPRGKRZSA-N 1 0 193.290 2.021 10 0 AEAERO CC(C)c1nc2c(s1)CC[C@H]([NH3+])C2 74240915 572451510 /nfs/dbraw/zinc/45/15/10/572451510.db2.gz PSEMHAJYNMBXCX-ZETCQYMHSA-N 1 0 196.319 2.083 10 0 AEAERO C[NH2+][C@H](CCC1CC1)[C@@H]1CCCOC1 83939147 572451517 /nfs/dbraw/zinc/45/15/17/572451517.db2.gz LDKCAFGMXGOCTH-VXGBXAGGSA-N 1 0 197.322 2.191 10 0 AEAERO C[NH2+][C@H](CCC1CC1)[C@@H]1C[C@@H]1C 83939440 572451718 /nfs/dbraw/zinc/45/17/18/572451718.db2.gz LFISRMXJSPSRRW-JMJZKYOTSA-N 1 0 167.296 2.421 10 0 AEAERO CC[NH2+][C@@H](CCC1CC1)[C@@H]1CCCO1 83939030 572451743 /nfs/dbraw/zinc/45/17/43/572451743.db2.gz QWWMFVUSKSLNSA-RYUDHWBXSA-N 1 0 197.322 2.334 10 0 AEAERO Cc1ncc(CC2(CC[NH3+])CC2)s1 74240913 572451775 /nfs/dbraw/zinc/45/17/75/572451775.db2.gz UKZAQECJBBTXJT-UHFFFAOYSA-N 1 0 196.319 2.123 10 0 AEAERO C[C@H]1CNC[C@H](C)[NH+]1CCC(C)(C)C 68939096 572451854 /nfs/dbraw/zinc/45/18/54/572451854.db2.gz XNIMLNVXLDXURN-QWRGUYRKSA-N 1 0 198.354 2.105 10 0 AEAERO C[NH2+][C@@H]1CO[C@H](C)[C@@H]1CC(C)(C)C 713251698 572451902 /nfs/dbraw/zinc/45/19/02/572451902.db2.gz ZNYAHYGRKUFIED-KXUCPTDWSA-N 1 0 185.311 2.046 10 0 AEAERO [NH3+][C@@H](CCC1CC1)Cc1ccccn1 83937240 572451907 /nfs/dbraw/zinc/45/19/07/572451907.db2.gz RMOUBRMRDFVNHG-NSHDSACASA-N 1 0 190.290 2.142 10 0 AEAERO C[NH2+][C@H](CCC1CC1)[C@H]1CCCOC1 83939154 572451914 /nfs/dbraw/zinc/45/19/14/572451914.db2.gz LDKCAFGMXGOCTH-NWDGAFQWSA-N 1 0 197.322 2.191 10 0 AEAERO C[NH2+][C@H](CCC1CC1)C[C@@H]1CCCO1 83937497 572451937 /nfs/dbraw/zinc/45/19/37/572451937.db2.gz GUHASOULERCQRU-NEPJUHHUSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@@H](CCC1CC1)[C@@H]1CCCOC1 83939146 572451958 /nfs/dbraw/zinc/45/19/58/572451958.db2.gz LDKCAFGMXGOCTH-NEPJUHHUSA-N 1 0 197.322 2.191 10 0 AEAERO C[NH2+][C@@H]1CO[C@@H](C)[C@H]1CC(C)(C)C 713251697 572451998 /nfs/dbraw/zinc/45/19/98/572451998.db2.gz ZNYAHYGRKUFIED-IVZWLZJFSA-N 1 0 185.311 2.046 10 0 AEAERO CCC[C@H]([NH3+])c1ccc(OCC)cn1 238248227 572452007 /nfs/dbraw/zinc/45/20/07/572452007.db2.gz JPISFCHTXJMVMW-JTQLQIEISA-N 1 0 194.278 2.280 10 0 AEAERO C[C@@H](N)C1([NH+]2CCCCCC2)CCC1 74240774 572453447 /nfs/dbraw/zinc/45/34/47/572453447.db2.gz AFFYRSMNJWIXOU-LLVKDONJSA-N 1 0 196.338 2.132 10 0 AEAERO CC[NH+](CC)CC[C@H]1CCCC[C@H]1O 238247750 572452053 /nfs/dbraw/zinc/45/20/53/572452053.db2.gz FPMOASBVFUWJGO-VXGBXAGGSA-N 1 0 199.338 2.269 10 0 AEAERO CCC(CC)[N@H+](CCN)CCC1CC1 83940521 572452097 /nfs/dbraw/zinc/45/20/97/572452097.db2.gz IDPPFPQOGHRPTH-UHFFFAOYSA-N 1 0 198.354 2.236 10 0 AEAERO CCc1nc([C@@H]([NH3+])C(C)C)oc1CC 74241264 572452098 /nfs/dbraw/zinc/45/20/98/572452098.db2.gz RDSWLBBBDQFSBN-JTQLQIEISA-N 1 0 196.294 2.455 10 0 AEAERO Cc1nc(CC(C)C)oc1C(C)(C)[NH3+] 74241261 572452107 /nfs/dbraw/zinc/45/21/07/572452107.db2.gz APOKHQKQFOPJAX-UHFFFAOYSA-N 1 0 196.294 2.375 10 0 AEAERO CC(C)(C)c1cnc(CCCC[NH3+])o1 74241323 572452115 /nfs/dbraw/zinc/45/21/15/572452115.db2.gz XUBJBFBOQGEIIT-UHFFFAOYSA-N 1 0 196.294 2.254 10 0 AEAERO [NH3+][C@H](CCC1CC1)Cc1ccccn1 83937236 572452117 /nfs/dbraw/zinc/45/21/17/572452117.db2.gz RMOUBRMRDFVNHG-LLVKDONJSA-N 1 0 190.290 2.142 10 0 AEAERO Nc1ccc(C[NH+]2CCCCC2)s1 74240943 572452153 /nfs/dbraw/zinc/45/21/53/572452153.db2.gz NFFOQCPQWGTTOR-UHFFFAOYSA-N 1 0 196.319 2.316 10 0 AEAERO Cc1nc(C(C)(C)C)oc1C(C)(C)[NH3+] 74241259 572452168 /nfs/dbraw/zinc/45/21/68/572452168.db2.gz YTCQPFMTDHQCEO-UHFFFAOYSA-N 1 0 196.294 2.474 10 0 AEAERO CC(C)Cc1nc(C(C)C)c(C[NH3+])o1 74241256 572452185 /nfs/dbraw/zinc/45/21/85/572452185.db2.gz FHGWEBPKAQIVCS-UHFFFAOYSA-N 1 0 196.294 2.455 10 0 AEAERO CCO[C@@H](C)[C@@H](CCC1CC1)[NH2+]C 83938628 572452232 /nfs/dbraw/zinc/45/22/32/572452232.db2.gz HYPYAVXKTXECEY-GXSJLCMTSA-N 1 0 185.311 2.190 10 0 AEAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 714439759 572452324 /nfs/dbraw/zinc/45/23/24/572452324.db2.gz YPPZQLDSKHZRSK-CSYMLDBXSA-N 1 0 197.322 2.046 10 0 AEAERO CC[NH+](CC)CC[C@@H]1CCCC[C@H]1O 238247481 572453793 /nfs/dbraw/zinc/45/37/93/572453793.db2.gz FPMOASBVFUWJGO-NWDGAFQWSA-N 1 0 199.338 2.269 10 0 AEAERO CCC[C@H]([NH3+])c1ccc(CO)cc1F 238246680 572452384 /nfs/dbraw/zinc/45/23/84/572452384.db2.gz AOUBWNDDTPDPGC-NSHDSACASA-N 1 0 197.253 2.118 10 0 AEAERO C[NH2+][C@@H]1CO[C@H](C)[C@H]1CC(C)(C)C 713251700 572452396 /nfs/dbraw/zinc/45/23/96/572452396.db2.gz ZNYAHYGRKUFIED-OPRDCNLKSA-N 1 0 185.311 2.046 10 0 AEAERO [NH3+][C@H](CCC1CC1)c1ccoc1 83938547 572452400 /nfs/dbraw/zinc/45/24/00/572452400.db2.gz NEWDRVZZDGQSBS-SNVBAGLBSA-N 1 0 165.236 2.470 10 0 AEAERO Cc1cnc(C[C@@H]([NH3+])C2(C)CC2)s1 74240924 572452423 /nfs/dbraw/zinc/45/24/23/572452423.db2.gz PJUYYJDNBDTAJT-MRVPVSSYSA-N 1 0 196.319 2.121 10 0 AEAERO CC[C@H]([NH3+])c1cnn(CCC2CC2)c1 83940069 572452424 /nfs/dbraw/zinc/45/24/24/572452424.db2.gz AQVPATDNDMKGIA-NSHDSACASA-N 1 0 193.294 2.093 10 0 AEAERO [NH3+][C@H](CCC1CC1)c1ccccn1 83937165 572452428 /nfs/dbraw/zinc/45/24/28/572452428.db2.gz GJNYKRALTKYGAT-SNVBAGLBSA-N 1 0 176.263 2.272 10 0 AEAERO CCCCSC[C@@H]1C[NH2+]C[C@H]1C 238247119 572452459 /nfs/dbraw/zinc/45/24/59/572452459.db2.gz RTSPYWWLHLWPCX-ZJUUUORDSA-N 1 0 187.352 2.375 10 0 AEAERO CC(C)c1nc(C(C)C)c(CC[NH3+])o1 74241284 572452475 /nfs/dbraw/zinc/45/24/75/572452475.db2.gz VORUPTCIZLTQNH-UHFFFAOYSA-N 1 0 196.294 2.423 10 0 AEAERO CCCOC[C@@H](CCC1CC1)[NH2+]C 83937994 572452494 /nfs/dbraw/zinc/45/24/94/572452494.db2.gz QGVXEVSNMCWQJA-LLVKDONJSA-N 1 0 185.311 2.191 10 0 AEAERO C[C@H](N)C1([NH+]2CCCCCC2)CCC1 74240771 572452497 /nfs/dbraw/zinc/45/24/97/572452497.db2.gz AFFYRSMNJWIXOU-NSHDSACASA-N 1 0 196.338 2.132 10 0 AEAERO CC[NH+](CC)CC[C@@H]1CCCC[C@@H]1O 238247469 572452510 /nfs/dbraw/zinc/45/25/10/572452510.db2.gz FPMOASBVFUWJGO-RYUDHWBXSA-N 1 0 199.338 2.269 10 0 AEAERO [NH3+][C@@H](CCC1CC1)C[C@H]1CCCO1 83937228 572452527 /nfs/dbraw/zinc/45/25/27/572452527.db2.gz AZLDZHRPVNWWQA-WDEREUQCSA-N 1 0 183.295 2.073 10 0 AEAERO CCC(CC)[N@H+](CCO)CCC1CC1 83939903 572452570 /nfs/dbraw/zinc/45/25/70/572452570.db2.gz XIFUYWGNDCWUEX-UHFFFAOYSA-N 1 0 199.338 2.269 10 0 AEAERO CCSC[C@@H]([NH3+])CCC1CC1 83938745 572452577 /nfs/dbraw/zinc/45/25/77/572452577.db2.gz TWEFTUWVETUWDH-VIFPVBQESA-N 1 0 173.325 2.257 10 0 AEAERO C[NH2+][C@H](CCCOC)CCC1CC1 83938733 572452581 /nfs/dbraw/zinc/45/25/81/572452581.db2.gz OXOFBUKABHVIGB-LLVKDONJSA-N 1 0 185.311 2.191 10 0 AEAERO Nc1ccsc1C[NH+]1CCCCC1 74240948 572452624 /nfs/dbraw/zinc/45/26/24/572452624.db2.gz AIRNHCLDTXXFTO-UHFFFAOYSA-N 1 0 196.319 2.316 10 0 AEAERO CCC[NH2+][C@@H](CCC1CC1)COC 83937838 572452645 /nfs/dbraw/zinc/45/26/45/572452645.db2.gz BJUMNIMCMLQSDS-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO CC[NH2+][C@H](CCOC)CCC1CC1 83937785 572452720 /nfs/dbraw/zinc/45/27/20/572452720.db2.gz NEIGIPVPMAUVFW-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO C[C@@H]([NH2+]CC1CC1)c1ccc[nH]1 308027658 572452789 /nfs/dbraw/zinc/45/27/89/572452789.db2.gz HVIOHHJYIRMSKU-MRVPVSSYSA-N 1 0 164.252 2.075 10 0 AEAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 714439773 572452817 /nfs/dbraw/zinc/45/28/17/572452817.db2.gz YPPZQLDSKHZRSK-RNWYCLNJSA-N 1 0 197.322 2.046 10 0 AEAERO CCCCSC[C@H]1C[NH2+]C[C@H]1C 238247387 572452824 /nfs/dbraw/zinc/45/28/24/572452824.db2.gz RTSPYWWLHLWPCX-NXEZZACHSA-N 1 0 187.352 2.375 10 0 AEAERO C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1CC(C)(C)C 713251699 572452839 /nfs/dbraw/zinc/45/28/39/572452839.db2.gz ZNYAHYGRKUFIED-LPEHRKFASA-N 1 0 185.311 2.046 10 0 AEAERO [NH3+][C@@H](CCC1CC1)Cc1ccncc1 83938176 572452855 /nfs/dbraw/zinc/45/28/55/572452855.db2.gz CEFDSAFKWPVLDL-LBPRGKRZSA-N 1 0 190.290 2.142 10 0 AEAERO CCc1nc(C(C)(C)C)oc1CC[NH3+] 74241273 572452906 /nfs/dbraw/zinc/45/29/06/572452906.db2.gz YJDMBGXUUYCAOW-UHFFFAOYSA-N 1 0 196.294 2.036 10 0 AEAERO [NH3+][C@H](CCC1CC1)Cc1cccnc1 83938157 572452919 /nfs/dbraw/zinc/45/29/19/572452919.db2.gz NDYDIYPUFPLTBM-GFCCVEGCSA-N 1 0 190.290 2.142 10 0 AEAERO [NH3+][C@H](CCC1CC1)CC(F)(F)F 83937752 572452927 /nfs/dbraw/zinc/45/29/27/572452927.db2.gz FXEFSUZJLKEKFF-SSDOTTSWSA-N 1 0 181.201 2.456 10 0 AEAERO [NH3+][C@H](CCC1CC1)C[C@H]1CCCO1 83937224 572453021 /nfs/dbraw/zinc/45/30/21/572453021.db2.gz AZLDZHRPVNWWQA-GHMZBOCLSA-N 1 0 183.295 2.073 10 0 AEAERO Cc1ncc(C[C@H]([NH3+])CCC(C)C)o1 74241315 572452968 /nfs/dbraw/zinc/45/29/68/572452968.db2.gz ICBPFIYQGRKUOV-SNVBAGLBSA-N 1 0 196.294 2.289 10 0 AEAERO 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194.322 2.331 10 0 AEAERO C/C(=C/CC[NH3+])c1ccc(C)o1 69050424 572469051 /nfs/dbraw/zinc/46/90/51/572469051.db2.gz LYLNOKRFBSEVEA-YWEYNIOJSA-N 1 0 165.236 2.340 10 0 AEAERO CCCC(=CC[NH3+])CCC 69049966 572469065 /nfs/dbraw/zinc/46/90/65/572469065.db2.gz NBJCTPJNPHMNDH-UHFFFAOYSA-N 1 0 141.258 2.472 10 0 AEAERO CC/C(=C/C[NH3+])c1ccccc1 69050266 572469109 /nfs/dbraw/zinc/46/91/09/572469109.db2.gz DARPFFGVRDNUCK-NTMALXAHSA-N 1 0 161.248 2.439 10 0 AEAERO CC[C@H]([NH3+])Cc1ccccc1COC 83968898 572469119 /nfs/dbraw/zinc/46/91/19/572469119.db2.gz MFCMWNZRMZIMOT-LBPRGKRZSA-N 1 0 193.290 2.113 10 0 AEAERO CCCCCC[C@@]1(C)C[NH+]=C(N)O1 83966917 572469259 /nfs/dbraw/zinc/46/92/59/572469259.db2.gz FPMKUXGXXBVPIG-JTQLQIEISA-N 1 0 184.283 2.060 10 0 AEAERO Cc1ccc(/C=C/CC[NH3+])cc1F 69050467 572469217 /nfs/dbraw/zinc/46/92/17/572469217.db2.gz UWMCJSLLBUXRRZ-DUXPYHPUSA-N 1 0 179.238 2.496 10 0 AEAERO CCC[C@@H](O)[C@@H]([NH2+]C)c1ccccc1 238257815 572469229 /nfs/dbraw/zinc/46/92/29/572469229.db2.gz 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/nfs/dbraw/zinc/47/33/57/572473357.db2.gz LVRGPVNXWDEITB-VIFPVBQESA-N 1 0 185.336 2.272 10 0 AEAERO CCC[C@@](O)(c1ccccc1)[C@H](C)[NH3+] 238258971 572473396 /nfs/dbraw/zinc/47/33/96/572473396.db2.gz SJPJYPJNAHILPB-JQWIXIFHSA-N 1 0 193.290 2.022 10 0 AEAERO CC[NH2+]Cc1c(OC)ccc(C)c1C 238258861 572473407 /nfs/dbraw/zinc/47/34/07/572473407.db2.gz ZFWXABQAWVWPFL-UHFFFAOYSA-N 1 0 193.290 2.422 10 0 AEAERO CCc1ncoc1[C@@H]1CCCC[C@@H]1[NH3+] 74246131 572473506 /nfs/dbraw/zinc/47/35/06/572473506.db2.gz LWPPYJSFVLBURP-BDAKNGLRSA-N 1 0 194.278 2.222 10 0 AEAERO CC[NH2+]CCC[C@H](O)c1cccs1 76858761 572473532 /nfs/dbraw/zinc/47/35/32/572473532.db2.gz RDHIRBWEZDPYQW-VIFPVBQESA-N 1 0 199.319 2.171 10 0 AEAERO CCc1ncoc1[C@H]1CCCC[C@H]1[NH3+] 74246134 572473611 /nfs/dbraw/zinc/47/36/11/572473611.db2.gz LWPPYJSFVLBURP-DTWKUNHWSA-N 1 0 194.278 2.222 10 0 AEAERO C=C/C=C\CC[C@@H](O)C(C)(C)[NH+](C)C 713714970 572474169 /nfs/dbraw/zinc/47/41/69/572474169.db2.gz CFENSYVWPUFYLG-SKVAFPRGSA-N 1 0 197.322 2.210 10 0 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186.258 2.422 10 0 AEAERO CCC[C@H]([NH3+])[C@H](O)C1CCCCC1 74280890 572544734 /nfs/dbraw/zinc/54/47/34/572544734.db2.gz DDVSMNAKBYCCEV-WDEREUQCSA-N 1 0 185.311 2.055 10 0 AEAERO Cc1cccc2[nH]c3c(c12)CC[C@@H]3[NH3+] 74280340 572544767 /nfs/dbraw/zinc/54/47/67/572544767.db2.gz RIQIRVUCSXAQQN-VIFPVBQESA-N 1 0 186.258 2.422 10 0 AEAERO CCC[C@H]([NH3+])[C@@](C)(O)C1CCCC1 74280865 572544773 /nfs/dbraw/zinc/54/47/73/572544773.db2.gz JJSWNNOLQBIXKP-QWRGUYRKSA-N 1 0 185.311 2.055 10 0 AEAERO CCOc1cccc(N)c1[C@H]([NH3+])CC 238301336 572544774 /nfs/dbraw/zinc/54/47/74/572544774.db2.gz DGQWMILGUVXYIK-MRVPVSSYSA-N 1 0 194.278 2.077 10 0 AEAERO CC(C)(C)CC[C@@H]1OCCC[C@@H]1[NH3+] 74280980 572544846 /nfs/dbraw/zinc/54/48/46/572544846.db2.gz PUONIPWXISTWGH-UWVGGRQHSA-N 1 0 185.311 2.319 10 0 AEAERO CC(C)[C@H](O)C1([NH3+])CCCCCC1 74280910 572544888 /nfs/dbraw/zinc/54/48/88/572544888.db2.gz CWEXWUPXHXXXBZ-JTQLQIEISA-N 1 0 185.311 2.055 10 0 AEAERO CO[C@H](C)[C@@H]([NH3+])C1=CCCCCC1 234763246 572545034 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185.311 2.190 10 0 AEAERO CC[C@@H](C)[C@H](COC(C)(C)C)[NH2+]C 87533750 572563425 /nfs/dbraw/zinc/56/34/25/572563425.db2.gz NOXMGGSLSSYNJN-ZJUUUORDSA-N 1 0 187.327 2.436 10 0 AEAERO C[NH2+]C[C@@H](C)N1CCCC[C@@H]1C(C)C 251299405 572563437 /nfs/dbraw/zinc/56/34/37/572563437.db2.gz HRSXBKUSKDVNHU-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO [NH3+][C@H](COC1CC1)c1cccc(F)c1 713286714 572563510 /nfs/dbraw/zinc/56/35/10/572563510.db2.gz SEPBQAHTNZOSNA-LLVKDONJSA-N 1 0 195.237 2.005 10 0 AEAERO CC[C@H](C)[C@H](COCC1CC1)[NH2+]C 87533642 572563575 /nfs/dbraw/zinc/56/35/75/572563575.db2.gz PIIKFRJZVPGNBW-ONGXEEELSA-N 1 0 185.311 2.047 10 0 AEAERO CC(C)C[C@H](C)OC[C@@H]([NH3+])C(C)C 87533593 572563598 /nfs/dbraw/zinc/56/35/98/572563598.db2.gz UDIACQJSNRAGPZ-WDEREUQCSA-N 1 0 187.327 2.421 10 0 AEAERO CC(C)C[C@@H](C)OC[C@@H]([NH3+])C(C)C 87533592 572563642 /nfs/dbraw/zinc/56/36/42/572563642.db2.gz UDIACQJSNRAGPZ-GHMZBOCLSA-N 1 0 187.327 2.421 10 0 AEAERO CC[C@@H](C)[C@H]([NH3+])COCCC(C)C 87533211 572563684 /nfs/dbraw/zinc/56/36/84/572563684.db2.gz VHJWKUQQJWEJJF-GHMZBOCLSA-N 1 0 187.327 2.423 10 0 AEAERO CC[C@@H](C)[C@@H](COC(C)(C)C)[NH2+]C 87533746 572563695 /nfs/dbraw/zinc/56/36/95/572563695.db2.gz NOXMGGSLSSYNJN-NXEZZACHSA-N 1 0 187.327 2.436 10 0 AEAERO CCCN(C[C@H]([NH2+]C)C(C)C)C1CC1 87528347 572563728 /nfs/dbraw/zinc/56/37/28/572563728.db2.gz UZAFJVXQXLQZAP-LBPRGKRZSA-N 1 0 198.354 2.105 10 0 AEAERO COCc1ccccc1[C@H]([NH3+])C(C)C 238331020 572563765 /nfs/dbraw/zinc/56/37/65/572563765.db2.gz ZTYAEGAGILQLTR-GFCCVEGCSA-N 1 0 193.290 2.489 10 0 AEAERO CC[NH2+][C@@H](CN(C)C1CC1)[C@@H](C)CC 87528127 572563766 /nfs/dbraw/zinc/56/37/66/572563766.db2.gz OOVFOMPJQCHTTD-JQWIXIFHSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](N)C1 69718370 572563788 /nfs/dbraw/zinc/56/37/88/572563788.db2.gz AOFOQKXIUHJLFF-FIQHERPVSA-N 1 0 198.354 2.090 10 0 AEAERO CC[C@H](C)[C@H](CN(CC)C1CC1)[NH2+]C 87528102 572563789 /nfs/dbraw/zinc/56/37/89/572563789.db2.gz HZKZICODXIVEOI-JQWIXIFHSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](CC(C)C)[C@@H](O)[C@@H](C)C[NH3+] 308062284 572563989 /nfs/dbraw/zinc/56/39/89/572563989.db2.gz TYJIVFJBYWOBAC-AXFHLTTASA-N 1 0 187.327 2.014 10 0 AEAERO CCCCOCCCC[C@@H](C)[NH3+] 45618354 572563993 /nfs/dbraw/zinc/56/39/93/572563993.db2.gz IJAQQOOKKYPACJ-SNVBAGLBSA-N 1 0 173.300 2.321 10 0 AEAERO COCc1ccccc1[C@@H]([NH3+])C(C)C 238330915 572564002 /nfs/dbraw/zinc/56/40/02/572564002.db2.gz ZTYAEGAGILQLTR-LBPRGKRZSA-N 1 0 193.290 2.489 10 0 AEAERO COCc1ccccc1[C@@H]([NH3+])C1CC1 238330931 572564032 /nfs/dbraw/zinc/56/40/32/572564032.db2.gz ZMKLVVCBYLQVTC-LBPRGKRZSA-N 1 0 191.274 2.243 10 0 AEAERO CCC[NH2+][C@@H](CN1CCCC1)C(C)C 87527382 572564050 /nfs/dbraw/zinc/56/40/50/572564050.db2.gz GREYSLZICQZFPK-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@H](C)[C@@H]([NH3+])COCCC(C)C 87533219 572564088 /nfs/dbraw/zinc/56/40/88/572564088.db2.gz VHJWKUQQJWEJJF-QWRGUYRKSA-N 1 0 187.327 2.423 10 0 AEAERO CC[C@H](C)[C@H](CN1CCCCC1)[NH2+]C 87527773 572564108 /nfs/dbraw/zinc/56/41/08/572564108.db2.gz IWWINAQJUNRCBB-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@H](CC(C)C)[C@@H](O)[C@H](C)C[NH3+] 308062291 572564113 /nfs/dbraw/zinc/56/41/13/572564113.db2.gz TYJIVFJBYWOBAC-MXWKQRLJSA-N 1 0 187.327 2.014 10 0 AEAERO CC[NH2+][C@@H](COCC1CC1)[C@H](C)CC 87533621 572564132 /nfs/dbraw/zinc/56/41/32/572564132.db2.gz YHARRNCGHHDCLD-PWSUYJOCSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+][C@H](COC(C)(C)C)C(C)C 87533734 572564177 /nfs/dbraw/zinc/56/41/77/572564177.db2.gz ZDCSAEBLMFORBP-SECBINFHSA-N 1 0 173.300 2.046 10 0 AEAERO CCC1(CC)[C@@H]([NH3+])C[C@@H]1OC1CC1 713286467 572564178 /nfs/dbraw/zinc/56/41/78/572564178.db2.gz ITMOSKWLIFDXCP-UWVGGRQHSA-N 1 0 183.295 2.071 10 0 AEAERO C[NH2+][C@@H](CN1CCCC[C@H]1C)C(C)C 87527489 572564236 /nfs/dbraw/zinc/56/42/36/572564236.db2.gz YEAGLRAADOQWFB-NEPJUHHUSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[NH2+][C@H](CN(C)C1CC1)C(C)C 87528131 572564253 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/nfs/dbraw/zinc/56/44/83/572564483.db2.gz OOVFOMPJQCHTTD-PWSUYJOCSA-N 1 0 198.354 2.105 10 0 AEAERO C[NH2+][C@H]1C[C@H](OC2CC2)C12CCCC2 713286540 572565075 /nfs/dbraw/zinc/56/50/75/572565075.db2.gz KFKKECBVJUWEKX-QWRGUYRKSA-N 1 0 195.306 2.086 10 0 AEAERO CC(C)[C@@H]([NH3+])COC1CCCCC1 87532676 572564492 /nfs/dbraw/zinc/56/44/92/572564492.db2.gz WYCYPFFQHPNNAI-NSHDSACASA-N 1 0 185.311 2.319 10 0 AEAERO CC[C@@H](C)[C@H](COCC(C)C)[NH2+]C 87533280 572564504 /nfs/dbraw/zinc/56/45/04/572564504.db2.gz BKBJSGKDIUJZNV-MNOVXSKESA-N 1 0 187.327 2.293 10 0 AEAERO CC(C)CCCOC[C@@H]([NH3+])C(C)C 87533828 572564511 /nfs/dbraw/zinc/56/45/11/572564511.db2.gz SFBGRRYRLKFHFT-LLVKDONJSA-N 1 0 187.327 2.423 10 0 AEAERO CC[NH2+][C@@H](COC(C)(C)C)C(C)C 87533723 572564520 /nfs/dbraw/zinc/56/45/20/572564520.db2.gz BFMFWXITFLOECE-JTQLQIEISA-N 1 0 187.327 2.436 10 0 AEAERO C[C@@H]([NH3+])C(C(F)(F)F)C(F)(F)F 235161021 572564805 /nfs/dbraw/zinc/56/48/05/572564805.db2.gz VXLXFJPCGSXEEV-UWTATZPHSA-N 1 0 195.106 2.074 10 0 AEAERO CC[C@H](C)[C@@H](CN(CC)C1CC1)[NH2+]C 87528096 572564606 /nfs/dbraw/zinc/56/46/06/572564606.db2.gz HZKZICODXIVEOI-CMPLNLGQSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H]1C[C@@H](C)[C@@H]2CCC[NH2+][C@@H]2C1 84468492 572564626 /nfs/dbraw/zinc/56/46/26/572564626.db2.gz TXUDSOSOZBQAHZ-CHWFTXMASA-N 1 0 167.296 2.421 10 0 AEAERO [NH3+][C@@H](COC1CC1)c1ccccc1F 713285053 572564716 /nfs/dbraw/zinc/56/47/16/572564716.db2.gz HAPRMEMZRAAGKA-NSHDSACASA-N 1 0 195.237 2.005 10 0 AEAERO C[NH2+][C@H](CN(C)C1CCCC1)C(C)C 87528240 572564724 /nfs/dbraw/zinc/56/47/24/572564724.db2.gz KOIRQERTLPTFKY-GFCCVEGCSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](C)[C@@H]([NH3+])COCC(C)C 87533271 572564728 /nfs/dbraw/zinc/56/47/28/572564728.db2.gz BSHGPHTYJBOFIS-UWVGGRQHSA-N 1 0 173.300 2.032 10 0 AEAERO CC[NH2+][C@H](COCC(C)C)C(C)C 87533249 572564870 /nfs/dbraw/zinc/56/48/70/572564870.db2.gz NUWDHQMOJSITHX-LLVKDONJSA-N 1 0 187.327 2.293 10 0 AEAERO [NH3+][C@@H]1CCCCCC[C@H]1OC1CC1 713286670 572564872 /nfs/dbraw/zinc/56/48/72/572564872.db2.gz RWMUEISWSBAVED-GHMZBOCLSA-N 1 0 183.295 2.216 10 0 AEAERO CCC[NH2+][C@H](CN1CCCC1)C(C)C 87527384 572564896 /nfs/dbraw/zinc/56/48/96/572564896.db2.gz GREYSLZICQZFPK-GFCCVEGCSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@H](C)[C@H](COC(C)(C)C)[NH2+]C 87533752 572564906 /nfs/dbraw/zinc/56/49/06/572564906.db2.gz NOXMGGSLSSYNJN-UWVGGRQHSA-N 1 0 187.327 2.436 10 0 AEAERO CC[C@@H](C)[C@@H]([NH3+])COC1CCCC1 87532698 572564930 /nfs/dbraw/zinc/56/49/30/572564930.db2.gz QVVGJUGIMXRFLK-KOLCDFICSA-N 1 0 185.311 2.319 10 0 AEAERO CC[NH2+][C@H](CN(C)C1CC1)[C@H](C)CC 87528118 572564962 /nfs/dbraw/zinc/56/49/62/572564962.db2.gz OOVFOMPJQCHTTD-ZYHUDNBSSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(C)(C)OC[C@@H]([NH2+]C)C(C)C 87533848 572564981 /nfs/dbraw/zinc/56/49/81/572564981.db2.gz VONZQNBVOFLWCB-SNVBAGLBSA-N 1 0 187.327 2.436 10 0 AEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](OC2CC2)C1 713287359 572564990 /nfs/dbraw/zinc/56/49/90/572564990.db2.gz VZMZLCAULMBMBV-YUSALJHKSA-N 1 0 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572578239 /nfs/dbraw/zinc/57/82/39/572578239.db2.gz QDZBNZAPOAHDLG-RUDMXATFSA-N 1 0 196.319 2.241 10 0 AEAERO C[NH2+]Cc1sc(CC2CC2)nc1C 87583653 572578255 /nfs/dbraw/zinc/57/82/55/572578255.db2.gz GYAQULGYGOFZCU-UHFFFAOYSA-N 1 0 196.319 2.123 10 0 AEAERO CCC(CC)[N@H+](C)[C@H](CN)C1CCC1 87584804 572580822 /nfs/dbraw/zinc/58/08/22/572580822.db2.gz HRANOUSDKBOSCX-GFCCVEGCSA-N 1 0 198.354 2.234 10 0 AEAERO CCC(C)(C)C[C@@H](O)[C@@H](C)C1C[NH2+]C1 713318736 572578338 /nfs/dbraw/zinc/57/83/38/572578338.db2.gz JSAZMFZYHYQJPW-GXSJLCMTSA-N 1 0 199.338 2.029 10 0 AEAERO C[NH2+][C@H](C)c1csc(CC2CC2)n1 87583279 572578357 /nfs/dbraw/zinc/57/83/57/572578357.db2.gz IUCCYWNSDRMBCJ-SSDOTTSWSA-N 1 0 196.319 2.376 10 0 AEAERO [NH3+]C1(CC2CC2)[C@H]2CCCC[C@H]21 87583722 572578520 /nfs/dbraw/zinc/57/85/20/572578520.db2.gz UMLOPZTYQNKYHD-ZACCUICWSA-N 1 0 165.280 2.304 10 0 AEAERO CC[NH2+]Cc1csc(CC2CC2)n1 87583305 572578545 /nfs/dbraw/zinc/57/85/45/572578545.db2.gz MOXCPYJCDWDDGT-UHFFFAOYSA-N 1 0 196.319 2.205 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/nfs/dbraw/zinc/59/85/49/572598549.db2.gz ZHALJXPVSBQSKR-GUBZILKMSA-N 1 0 185.336 2.475 10 0 AEAERO C[C@@H]([NH2+]C1CC1)c1ccc(O)cc1F 235178745 572601812 /nfs/dbraw/zinc/60/18/12/572601812.db2.gz GXHJTAQLBLVTCO-SSDOTTSWSA-N 1 0 195.237 2.344 10 0 AEAERO CCC[C@H]([NH3+])[C@H](C)c1ocnc1C 74300326 572598810 /nfs/dbraw/zinc/59/88/10/572598810.db2.gz ZABHJZZNPYVNSE-CBAPKCEASA-N 1 0 182.267 2.214 10 0 AEAERO CC[C@H]([NH3+])[C@H](C)c1[nH]cc(C)c1C 74302905 572599055 /nfs/dbraw/zinc/59/90/55/572599055.db2.gz XVFOMYZDTTYUOX-UWVGGRQHSA-N 1 0 180.295 2.472 10 0 AEAERO COC1CCC([C@@]2([NH3+])CC[C@@H]2C)CC1 686337655 572599200 /nfs/dbraw/zinc/59/92/00/572599200.db2.gz PWMMFSXEJUALHF-WNYYMSAVSA-N 1 0 197.322 2.319 10 0 AEAERO C[C@H]1C[C@@H](C)CC2(C1)[NH2+]CCS2 87602300 572599209 /nfs/dbraw/zinc/59/92/09/572599209.db2.gz VZSOHJYNMPYJLF-ULKQDVFKSA-N 1 0 185.336 2.475 10 0 AEAERO CC[C@@H](C(C)C)[C@@H]([NH3+])c1cnoc1 74300307 572599241 /nfs/dbraw/zinc/59/92/41/572599241.db2.gz OJEMBTKKRPFOCL-UWVGGRQHSA-N 1 0 182.267 2.357 10 0 AEAERO CC(C)[C@H](c1ccn(C)c1)[C@H](C)[NH3+] 74302959 572599285 /nfs/dbraw/zinc/59/92/85/572599285.db2.gz CYSZYHRKXSLQJX-ONGXEEELSA-N 1 0 180.295 2.112 10 0 AEAERO C[C@H]1C[NH2+][C@]2(CCC[C@@H]2C)S1 87602872 572599292 /nfs/dbraw/zinc/59/92/92/572599292.db2.gz JHIRXDSPHZXENY-XHNCKOQMSA-N 1 0 171.309 2.228 10 0 AEAERO CC(C)[C@@H](c1ccn(C)c1)[C@@H](C)[NH3+] 74302954 572599311 /nfs/dbraw/zinc/59/93/11/572599311.db2.gz CYSZYHRKXSLQJX-MWLCHTKSSA-N 1 0 180.295 2.112 10 0 AEAERO C[C@H](C(F)(F)F)C1([NH3+])CCCC1 74302526 572599352 /nfs/dbraw/zinc/59/93/52/572599352.db2.gz HWOZMPDETKMIIS-LURJTMIESA-N 1 0 181.201 2.456 10 0 AEAERO C[C@H]1CC[C@@]2(C[C@@H]1C)[NH2+]CCS2 87602254 572599400 /nfs/dbraw/zinc/59/94/00/572599400.db2.gz ZHALJXPVSBQSKR-LPEHRKFASA-N 1 0 185.336 2.475 10 0 AEAERO CC[C@@H](C(C)C)[C@H]([NH3+])c1ccon1 74300311 572599516 /nfs/dbraw/zinc/59/95/16/572599516.db2.gz YWSAYQVENCDJED-WPRPVWTQSA-N 1 0 182.267 2.357 10 0 AEAERO CC(C)C[C@@H](C[NH3+])c1ccn(C)c1 74302960 572599605 /nfs/dbraw/zinc/59/96/05/572599605.db2.gz LCZNDSFZRWTSJD-NSHDSACASA-N 1 0 180.295 2.114 10 0 AEAERO CC[C@]1(C)C[C@H]([NH2+]C2CCC2)CCO1 69890865 572599981 /nfs/dbraw/zinc/59/99/81/572599981.db2.gz BSPYMYJEOPXKRO-VXGBXAGGSA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@H](CC(C)C)[C@@H]([NH3+])[C@@H]1CCOC1 308071803 572600039 /nfs/dbraw/zinc/60/00/39/572600039.db2.gz SASHULKAADJSDA-IJLUTSLNSA-N 1 0 199.338 2.423 10 0 AEAERO C[C@H]([NH3+])Cc1cc2[nH]ccc2s1 74302987 572600044 /nfs/dbraw/zinc/60/00/44/572600044.db2.gz KARUMBHFTNZCFD-LURJTMIESA-N 1 0 180.276 2.119 10 0 AEAERO CC[C@@H]([NH3+])[C@H](C)c1cc(C)c(C)[nH]1 74302920 572600047 /nfs/dbraw/zinc/60/00/47/572600047.db2.gz ZEBVVMSJLQGISN-WCBMZHEXSA-N 1 0 180.295 2.472 10 0 AEAERO COC1CCC([C@@]2([NH3+])CC[C@H]2C)CC1 686337652 572600177 /nfs/dbraw/zinc/60/01/77/572600177.db2.gz PWMMFSXEJUALHF-HBIQZDMRSA-N 1 0 197.322 2.319 10 0 AEAERO COC1CCC([C@]2([NH3+])CC[C@@H]2C)CC1 686337657 572600214 /nfs/dbraw/zinc/60/02/14/572600214.db2.gz PWMMFSXEJUALHF-XKGSQUFQSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@@H]([NH3+])[C@@H](C)c1cc(C)c(C)[nH]1 74302916 572600287 /nfs/dbraw/zinc/60/02/87/572600287.db2.gz ZEBVVMSJLQGISN-PSASIEDQSA-N 1 0 180.295 2.472 10 0 AEAERO CC(C)(C)C[C@H]([NH3+])Cc1ccc[nH]1 74302943 572600306 /nfs/dbraw/zinc/60/03/06/572600306.db2.gz WUOVCJIVJCZNLC-SECBINFHSA-N 1 0 180.295 2.321 10 0 AEAERO CC(C)(C)C[C@@H]([NH3+])Cc1ccc[nH]1 74302945 572600313 /nfs/dbraw/zinc/60/03/13/572600313.db2.gz WUOVCJIVJCZNLC-VIFPVBQESA-N 1 0 180.295 2.321 10 0 AEAERO CC[C@H](CC(C)C)[C@H]([NH3+])[C@@H]1CCOC1 308071812 572600631 /nfs/dbraw/zinc/60/06/31/572600631.db2.gz SASHULKAADJSDA-UTUOFQBUSA-N 1 0 199.338 2.423 10 0 AEAERO COC1CCC([C@]2([NH3+])CC[C@H]2C)CC1 686337660 572600819 /nfs/dbraw/zinc/60/08/19/572600819.db2.gz PWMMFSXEJUALHF-YYJSSNLHSA-N 1 0 197.322 2.319 10 0 AEAERO CC[C@@]1(C)C[C@H]([NH2+]C2CCC2)CCO1 69890866 572600897 /nfs/dbraw/zinc/60/08/97/572600897.db2.gz BSPYMYJEOPXKRO-NEPJUHHUSA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@]1(C)C[C@H]([NH2+][C@@H]2C[C@@H]2C)CCO1 69890891 572601026 /nfs/dbraw/zinc/60/10/26/572601026.db2.gz PTICXIKWLCKVDG-IRCOFANPSA-N 1 0 197.322 2.332 10 0 AEAERO Cc1cnc([C@H]([NH3+])C2CCCC2)o1 74303268 572601049 /nfs/dbraw/zinc/60/10/49/572601049.db2.gz LOEQITDLERKSDU-SECBINFHSA-N 1 0 180.251 2.173 10 0 AEAERO Cc1nc([C@@H]([NH3+])[C@@H](C)C2CC2)co1 74303257 572601071 /nfs/dbraw/zinc/60/10/71/572601071.db2.gz SJKJXIXGLPYFGT-WKEGUHRASA-N 1 0 180.251 2.029 10 0 AEAERO CC[C@@]1(C)C[C@@H]([NH2+]C2CCC2)CCO1 69890868 572601131 /nfs/dbraw/zinc/60/11/31/572601131.db2.gz BSPYMYJEOPXKRO-RYUDHWBXSA-N 1 0 197.322 2.476 10 0 AEAERO CC[NH2+]C[C@@H](CC)[C@@H]1CCSC1 405350041 572601252 /nfs/dbraw/zinc/60/12/52/572601252.db2.gz NKKCTLANGDSOJS-NXEZZACHSA-N 1 0 187.352 2.375 10 0 AEAERO COc1cc(F)ccc1CC[C@H](C)[NH3+] 238355316 572601266 /nfs/dbraw/zinc/60/12/66/572601266.db2.gz WLWXJDYAPQRMTG-QMMMGPOBSA-N 1 0 197.253 2.114 10 0 AEAERO Cc1nc([C@@H]([NH3+])CC2CC2)c(C)o1 74303298 572601523 /nfs/dbraw/zinc/60/15/23/572601523.db2.gz YXXAMHXFASWMBB-VIFPVBQESA-N 1 0 180.251 2.091 10 0 AEAERO CC(C)[C@H]([NH3+])c1nc2ccoc2o1 74303955 572601599 /nfs/dbraw/zinc/60/15/99/572601599.db2.gz WNJJGNHQJWADAX-ZETCQYMHSA-N 1 0 180.207 2.077 10 0 AEAERO Cc1nc([C@H]([NH3+])[C@@H](C)C2CC2)co1 74303256 572601608 /nfs/dbraw/zinc/60/16/08/572601608.db2.gz SJKJXIXGLPYFGT-QUBYGPBYSA-N 1 0 180.251 2.029 10 0 AEAERO [NH3+][C@@H](CC1CCCC1)c1ccon1 74303506 572601727 /nfs/dbraw/zinc/60/17/27/572601727.db2.gz LWDSCIPYNFOZAZ-VIFPVBQESA-N 1 0 180.251 2.255 10 0 AEAERO [NH3+][C@@H](c1cnoc1)C1CCCCC1 74303272 572601736 /nfs/dbraw/zinc/60/17/36/572601736.db2.gz DLJTVNFWKFIWGC-SNVBAGLBSA-N 1 0 180.251 2.255 10 0 AEAERO Cc1nc([C@@H]([NH3+])CC2CC2)oc1C 74303502 572601911 /nfs/dbraw/zinc/60/19/11/572601911.db2.gz UHUGRCCRNGJNLK-VIFPVBQESA-N 1 0 180.251 2.091 10 0 AEAERO COC(C)(C)CC[C@H]1C[NH2+]CC[C@@H]1C 234573108 572602021 /nfs/dbraw/zinc/60/20/21/572602021.db2.gz AXDSREUFOMQASP-QWRGUYRKSA-N 1 0 199.338 2.437 10 0 AEAERO CC[C@H](CC(C)C)[C@@H]([NH3+])[C@H]1CCOC1 308071794 572602119 /nfs/dbraw/zinc/60/21/19/572602119.db2.gz SASHULKAADJSDA-GRYCIOLGSA-N 1 0 199.338 2.423 10 0 AEAERO COc1cc(CC[NH3+])cc(C2CC2)c1 238354925 572602122 /nfs/dbraw/zinc/60/21/22/572602122.db2.gz GERMMQSKYPTOKB-UHFFFAOYSA-N 1 0 191.274 2.074 10 0 AEAERO [NH3+][C@H](CC1CCCC1)c1ccon1 74303504 572602141 /nfs/dbraw/zinc/60/21/41/572602141.db2.gz LWDSCIPYNFOZAZ-SECBINFHSA-N 1 0 180.251 2.255 10 0 AEAERO CC[C@H](CC(C)C)[C@H]([NH3+])[C@H]1CCOC1 308071823 572602146 /nfs/dbraw/zinc/60/21/46/572602146.db2.gz SASHULKAADJSDA-WOPDTQHZSA-N 1 0 199.338 2.423 10 0 AEAERO COc1cc(F)ccc1CC[C@@H](C)[NH3+] 238355297 572602193 /nfs/dbraw/zinc/60/21/93/572602193.db2.gz WLWXJDYAPQRMTG-MRVPVSSYSA-N 1 0 197.253 2.114 10 0 AEAERO [NH3+][C@H](CC1CCCC1)c1cnoc1 74303513 572602242 /nfs/dbraw/zinc/60/22/42/572602242.db2.gz ODLSCGMXRKGIAW-SNVBAGLBSA-N 1 0 180.251 2.255 10 0 AEAERO [NH3+]Cc1conc1C1CCCCC1 74303521 572602357 /nfs/dbraw/zinc/60/23/57/572602357.db2.gz AVFXXBMCGLGRIE-UHFFFAOYSA-N 1 0 180.251 2.181 10 0 AEAERO Cc1cnc([C@@H]([NH3+])C2CCCC2)o1 74303269 572602419 /nfs/dbraw/zinc/60/24/19/572602419.db2.gz LOEQITDLERKSDU-VIFPVBQESA-N 1 0 180.251 2.173 10 0 AEAERO Cc1nc(C(C)(C)[NH3+])oc1C1CC1 74303350 572602475 /nfs/dbraw/zinc/60/24/75/572602475.db2.gz DABWUFIQKTYUCI-UHFFFAOYSA-N 1 0 180.251 2.054 10 0 AEAERO Cc1ncc([C@@H]([NH3+])CCC2CC2)o1 74303292 572602530 /nfs/dbraw/zinc/60/25/30/572602530.db2.gz UJHLEUAKLSSBOF-VIFPVBQESA-N 1 0 180.251 2.173 10 0 AEAERO CC[C@]1(C)C[C@@H]([NH2+]C2CCC2)CCO1 69890867 572602769 /nfs/dbraw/zinc/60/27/69/572602769.db2.gz BSPYMYJEOPXKRO-NWDGAFQWSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@H]([NH3+])[C@@H]1C[C@]12CCCSCC2 251633035 572602790 /nfs/dbraw/zinc/60/27/90/572602790.db2.gz RHMSNPFUUWYWOC-LPEHRKFASA-N 1 0 185.336 2.257 10 0 AEAERO [NH3+][C@H](CC1CCCC1)c1cnco1 74303294 572602821 /nfs/dbraw/zinc/60/28/21/572602821.db2.gz ZKWDTPUXCFKFAO-SECBINFHSA-N 1 0 180.251 2.255 10 0 AEAERO COC(C)(C)CC[C@H]1C[NH2+]C[C@H](C)C1 234573235 572602871 /nfs/dbraw/zinc/60/28/71/572602871.db2.gz PYLFTZCZRIKGAT-GHMZBOCLSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+]C[C@H](C)CCCOC(F)(F)F 713403112 572602917 /nfs/dbraw/zinc/60/29/17/572602917.db2.gz DQGZABKVVUBVGZ-SSDOTTSWSA-N 1 0 199.216 2.159 10 0 AEAERO CC[C@]1(C)C/C(=C\CC[NH3+])CCO1 69900055 572603059 /nfs/dbraw/zinc/60/30/59/572603059.db2.gz NRTIXUWYGJGWML-GULOHRGCSA-N 1 0 183.295 2.241 10 0 AEAERO [NH3+][C@H](c1cnoc1)C1CCCCC1 74303273 572603132 /nfs/dbraw/zinc/60/31/32/572603132.db2.gz DLJTVNFWKFIWGC-JTQLQIEISA-N 1 0 180.251 2.255 10 0 AEAERO Cc1nc([C@H]([NH3+])[C@H](C)C2CC2)co1 74303259 572603188 /nfs/dbraw/zinc/60/31/88/572603188.db2.gz SJKJXIXGLPYFGT-LHLIQPBNSA-N 1 0 180.251 2.029 10 0 AEAERO C[C@@H](CCCOC(F)(F)F)[C@@H](C)[NH3+] 713398983 572603255 /nfs/dbraw/zinc/60/32/55/572603255.db2.gz RQNMDPFMMJQFSI-NKWVEPMBSA-N 1 0 199.216 2.286 10 0 AEAERO Cc1nc([C@H]([NH3+])CC2CC2)oc1C 74303501 572603286 /nfs/dbraw/zinc/60/32/86/572603286.db2.gz UHUGRCCRNGJNLK-SECBINFHSA-N 1 0 180.251 2.091 10 0 AEAERO COC(C)(C)CC[C@H]1C[NH2+]CC[C@H]1C 234573145 572603454 /nfs/dbraw/zinc/60/34/54/572603454.db2.gz AXDSREUFOMQASP-MNOVXSKESA-N 1 0 199.338 2.437 10 0 AEAERO Cc1ncc([C@H]([NH3+])CCC2CC2)o1 74303291 572603482 /nfs/dbraw/zinc/60/34/82/572603482.db2.gz UJHLEUAKLSSBOF-SECBINFHSA-N 1 0 180.251 2.173 10 0 AEAERO C[C@H]([NH3+])[C@@H](C)CCCOC(F)(F)F 713398982 572603727 /nfs/dbraw/zinc/60/37/27/572603727.db2.gz RQNMDPFMMJQFSI-BQBZGAKWSA-N 1 0 199.216 2.286 10 0 AEAERO [NH3+][C@@H](CC1CCCC1)c1cnoc1 74303514 572603772 /nfs/dbraw/zinc/60/37/72/572603772.db2.gz ODLSCGMXRKGIAW-JTQLQIEISA-N 1 0 180.251 2.255 10 0 AEAERO C[C@@H]([NH3+])[C@H](C)CCCOC(F)(F)F 713398984 572603956 /nfs/dbraw/zinc/60/39/56/572603956.db2.gz RQNMDPFMMJQFSI-RNFRBKRXSA-N 1 0 199.216 2.286 10 0 AEAERO Cc1nc([C@@H]([NH3+])[C@H](C)C2CC2)co1 74303260 572604123 /nfs/dbraw/zinc/60/41/23/572604123.db2.gz SJKJXIXGLPYFGT-LDWIPMOCSA-N 1 0 180.251 2.029 10 0 AEAERO CC[C@H](C[NH3+])CCCOC(F)(F)F 713404617 572604129 /nfs/dbraw/zinc/60/41/29/572604129.db2.gz IYECWLGHXHHEKD-ZETCQYMHSA-N 1 0 199.216 2.288 10 0 AEAERO CC[C@@H](C[NH3+])CCCOC(F)(F)F 713404604 572604141 /nfs/dbraw/zinc/60/41/41/572604141.db2.gz IYECWLGHXHHEKD-SSDOTTSWSA-N 1 0 199.216 2.288 10 0 AEAERO Cc1nc([C@H]([NH3+])CC2CC2)c(C)o1 74303297 572604195 /nfs/dbraw/zinc/60/41/95/572604195.db2.gz YXXAMHXFASWMBB-SECBINFHSA-N 1 0 180.251 2.091 10 0 AEAERO CC(C)[C@@H]1C/C(=C\CC[NH3+])CCO1 69900027 572604228 /nfs/dbraw/zinc/60/42/28/572604228.db2.gz QOEYVFNWRXZLHH-FGUAACIASA-N 1 0 183.295 2.097 10 0 AEAERO CC[C@]1(C)C[C@@]2(CCO1)C[C@@H]2C[NH2+]C 69899541 572604576 /nfs/dbraw/zinc/60/45/76/572604576.db2.gz XHDJHASGWFZAGC-IJLUTSLNSA-N 1 0 197.322 2.191 10 0 AEAERO CC[C@]1(C)CC2(CC[NH2+]CC2)CCO1 69899868 572604709 /nfs/dbraw/zinc/60/47/09/572604709.db2.gz ICOPUNGQWFCMSE-LLVKDONJSA-N 1 0 197.322 2.335 10 0 AEAERO COC(C)(C)CC[C@H]1C[NH2+]C[C@@H](C)C1 234573198 572604846 /nfs/dbraw/zinc/60/48/46/572604846.db2.gz PYLFTZCZRIKGAT-WDEREUQCSA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)[C@H]1C/C(=C\CC[NH3+])CCO1 69900030 572605078 /nfs/dbraw/zinc/60/50/78/572605078.db2.gz QOEYVFNWRXZLHH-NEOSZVFXSA-N 1 0 183.295 2.097 10 0 AEAERO C[C@@H](C[NH3+])[C@@H]1CCCc2occc21 74304809 572605122 /nfs/dbraw/zinc/60/51/22/572605122.db2.gz PVJFERYEZZWSEC-IUCAKERBSA-N 1 0 179.263 2.294 10 0 AEAERO CC[C@@]1(C)C/C(=C\CC[NH3+])CCO1 69900059 572605155 /nfs/dbraw/zinc/60/51/55/572605155.db2.gz NRTIXUWYGJGWML-VQNWOSHQSA-N 1 0 183.295 2.241 10 0 AEAERO C[C@H]([NH3+])[C@H](C)CCCOC(F)(F)F 713398985 572605313 /nfs/dbraw/zinc/60/53/13/572605313.db2.gz RQNMDPFMMJQFSI-RQJHMYQMSA-N 1 0 199.216 2.286 10 0 AEAERO C[C@H](C[NH3+])[C@@H]1CCCc2occc21 74304811 572605401 /nfs/dbraw/zinc/60/54/01/572605401.db2.gz PVJFERYEZZWSEC-BDAKNGLRSA-N 1 0 179.263 2.294 10 0 AEAERO CCC[C@@H]([NH3+])Cc1ccccc1O 74304775 572605424 /nfs/dbraw/zinc/60/54/24/572605424.db2.gz ULHJKVKFXNPSJF-SNVBAGLBSA-N 1 0 179.263 2.062 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572609177 /nfs/dbraw/zinc/60/91/77/572609177.db2.gz RTKMJJKOFKXCLD-JQWIXIFHSA-N 1 0 192.306 2.431 10 0 AEAERO CC[C@H]([NH3+])c1c[nH]c2c1C[C@@H](C)C2 74305767 572607798 /nfs/dbraw/zinc/60/77/98/572607798.db2.gz RYCXCZZAQZRJNL-XCBNKYQSSA-N 1 0 178.279 2.159 10 0 AEAERO CC(C)C[C@@H]1CC[N@H+](CCCCO)C1 307846671 572607847 /nfs/dbraw/zinc/60/78/47/572607847.db2.gz NYJHPOXKPBQYBR-LBPRGKRZSA-N 1 0 199.338 2.127 10 0 AEAERO CC[C@@H](C)[C@H](C[NH3+])c1cccnc1 87617477 572607849 /nfs/dbraw/zinc/60/78/49/572607849.db2.gz XESUBEMFAXKIIU-KOLCDFICSA-N 1 0 178.279 2.170 10 0 AEAERO CCC[NH2+]CC1(c2ccncc2)CC1 87618517 572607982 /nfs/dbraw/zinc/60/79/82/572607982.db2.gz NKODECHLMOCXCE-UHFFFAOYSA-N 1 0 190.290 2.113 10 0 AEAERO CC[C@H]([NH3+])c1cc(C)c2n1CCC2 74305762 572608029 /nfs/dbraw/zinc/60/80/29/572608029.db2.gz OHCMCYFAFNZNSK-VIFPVBQESA-N 1 0 178.279 2.153 10 0 AEAERO CCC[NH2+]CC1(c2cccnc2)CC1 87617638 572608139 /nfs/dbraw/zinc/60/81/39/572608139.db2.gz OKHLBBQCLTXWTA-UHFFFAOYSA-N 1 0 190.290 2.113 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87617475 572608628 /nfs/dbraw/zinc/60/86/28/572608628.db2.gz XESUBEMFAXKIIU-GXSJLCMTSA-N 1 0 178.279 2.170 10 0 AEAERO CC[C@@H](C)c1ccnc(CC[NH3+])c1 74305717 572608664 /nfs/dbraw/zinc/60/86/64/572608664.db2.gz IPDRPBZTOKNNEU-SECBINFHSA-N 1 0 178.279 2.096 10 0 AEAERO Cc1cc([C@@H]([NH3+])CC2CC2)n(C)c1 74305772 572610309 /nfs/dbraw/zinc/61/03/09/572610309.db2.gz NZJFCULWZHCNMT-JTQLQIEISA-N 1 0 178.279 2.133 10 0 AEAERO COC(C)(C)CC[C@H]1CC[NH2+]C[C@@H]1C 234572349 572608897 /nfs/dbraw/zinc/60/88/97/572608897.db2.gz LVXRGIXCNSNALM-QWRGUYRKSA-N 1 0 199.338 2.437 10 0 AEAERO CC[C@@H](C[NH3+])c1cc(C)nc(C)c1 74305669 572608910 /nfs/dbraw/zinc/60/89/10/572608910.db2.gz DSTIJNWQXLKWTA-JTQLQIEISA-N 1 0 178.279 2.151 10 0 AEAERO CCC[C@H]([NH3+])c1ccc2n1CCC2 74305791 572608941 /nfs/dbraw/zinc/60/89/41/572608941.db2.gz DGTXOBHAVJDOKU-JTQLQIEISA-N 1 0 178.279 2.234 10 0 AEAERO CSCCCC[NH2+]CCC(F)F 308073743 572608942 /nfs/dbraw/zinc/60/89/42/572608942.db2.gz BZDLAUUMJNRRLL-UHFFFAOYSA-N 1 0 197.294 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572674357 /nfs/dbraw/zinc/67/43/57/572674357.db2.gz KXNJXJQZJDMEBO-ARJAWSKDSA-N 1 0 178.279 2.081 10 0 AEAERO C[C@@H](C1CC1)C1([NH3+])CCCC1 74343005 572674826 /nfs/dbraw/zinc/67/48/26/572674826.db2.gz DPFNDCZAYIJLGP-QMMMGPOBSA-N 1 0 153.269 2.304 10 0 AEAERO C[C@H](C1CC1)C1([NH3+])CCCC1 74343006 572674865 /nfs/dbraw/zinc/67/48/65/572674865.db2.gz DPFNDCZAYIJLGP-MRVPVSSYSA-N 1 0 153.269 2.304 10 0 AEAERO CCC[C@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 252713132 572675074 /nfs/dbraw/zinc/67/50/74/572675074.db2.gz OKKKQWOLKSAJNX-SDDRHHMPSA-N 1 0 199.338 2.316 10 0 AEAERO COc1cc(CC[C@@H](C)[NH3+])ccc1C 238398929 572675227 /nfs/dbraw/zinc/67/52/27/572675227.db2.gz XXMZWAGUJNFSQN-SNVBAGLBSA-N 1 0 193.290 2.283 10 0 AEAERO CC[C@@H]([NH3+])c1c[nH]c(C)c1C 74343255 572675901 /nfs/dbraw/zinc/67/59/01/572675901.db2.gz URTPYRMATJYIBG-SECBINFHSA-N 1 0 152.241 2.041 10 0 AEAERO COc1cc(CC[C@H](C)[NH3+])ccc1C 238399033 572676128 /nfs/dbraw/zinc/67/61/28/572676128.db2.gz XXMZWAGUJNFSQN-JTQLQIEISA-N 1 0 193.290 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171.309 2.048 10 0 AEAERO CC(C)[NH2+]C/C=C\[C@@H]1CC[C@@H](C)O1 308091302 572677089 /nfs/dbraw/zinc/67/70/89/572677089.db2.gz HIGKLMGAYGCFGI-WQMVXFAESA-N 1 0 183.295 2.108 10 0 AEAERO COc1cc(CC[C@@H](C)[NH3+])ccc1F 238398950 572677090 /nfs/dbraw/zinc/67/70/90/572677090.db2.gz MGQJSQUWZGHYAQ-MRVPVSSYSA-N 1 0 197.253 2.114 10 0 AEAERO CC[NH2+]CC[C@H]1CCC[C@H](OC)C1 686339455 572677094 /nfs/dbraw/zinc/67/70/94/572677094.db2.gz NISOLMYWGMNCJQ-MNOVXSKESA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO 252714038 572677116 /nfs/dbraw/zinc/67/71/16/572677116.db2.gz QWJCXPMDHBWUNX-SDDRHHMPSA-N 1 0 199.338 2.316 10 0 AEAERO COCCCC[C@H]1CC[C@H](C)C[NH2+]1 686339441 572677172 /nfs/dbraw/zinc/67/71/72/572677172.db2.gz NGIKBPPPAHDERN-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO CCC[NH2+][C@H](C(F)F)C1CC1 87687467 572677704 /nfs/dbraw/zinc/67/77/04/572677704.db2.gz NGMTTWCHLRBBQK-ZETCQYMHSA-N 1 0 163.211 2.030 10 0 AEAERO CC[NH2+]CC[C@H]1CCC[C@@H](OC)C1 686339452 572677262 /nfs/dbraw/zinc/67/72/62/572677262.db2.gz NISOLMYWGMNCJQ-GHMZBOCLSA-N 1 0 185.311 2.191 10 0 AEAERO CC(C)[NH2+]C/C=C\[C@@H]1CC[C@H](C)O1 308091301 572677270 /nfs/dbraw/zinc/67/72/70/572677270.db2.gz HIGKLMGAYGCFGI-NRFYAWERSA-N 1 0 183.295 2.108 10 0 AEAERO C[NH2+][C@@H]1CC[C@H](CCCOC)[C@H]1C 252467928 572677315 /nfs/dbraw/zinc/67/73/15/572677315.db2.gz DPUUEVOZADQVIO-OUAUKWLOSA-N 1 0 185.311 2.047 10 0 AEAERO CCCC[C@@H]([NH2+]CC)C(F)F 87687652 572677401 /nfs/dbraw/zinc/67/74/01/572677401.db2.gz KNLOPUBNRCMFIZ-SSDOTTSWSA-N 1 0 165.227 2.420 10 0 AEAERO CCC[NH2+][C@H](C(C)C)C(F)F 87687422 572677408 /nfs/dbraw/zinc/67/74/08/572677408.db2.gz OHUGYUABRSEIEN-SSDOTTSWSA-N 1 0 165.227 2.276 10 0 AEAERO CCC[NH2+][C@H](CCC)C(F)F 87687464 572677460 /nfs/dbraw/zinc/67/74/60/572677460.db2.gz VAUDYTZLUKPGCS-SSDOTTSWSA-N 1 0 165.227 2.420 10 0 AEAERO CC[NH2+][C@@H](C(F)F)C1CCCC1 87687488 572677471 /nfs/dbraw/zinc/67/74/71/572677471.db2.gz AVEJBSRENFFTEJ-MRVPVSSYSA-N 1 0 177.238 2.420 10 0 AEAERO CCC[NH2+][C@@H](C(F)F)C1CCC1 87687594 572677534 /nfs/dbraw/zinc/67/75/34/572677534.db2.gz JXBOLIZTHONMSK-MRVPVSSYSA-N 1 0 177.238 2.420 10 0 AEAERO C[C@H]([NH2+]CCCF)C1(C)CC1 307868984 572678055 /nfs/dbraw/zinc/67/80/55/572678055.db2.gz IHRWKCSTCCQYDD-QMMMGPOBSA-N 1 0 159.248 2.124 10 0 AEAERO CC[NH2+]CC[C@@H]1CCC[C@H](OC)C1 686339457 572677598 /nfs/dbraw/zinc/67/75/98/572677598.db2.gz NISOLMYWGMNCJQ-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO Cc1cccc2oc([C@H](C)C[NH3+])nc12 54334938 572677621 /nfs/dbraw/zinc/67/76/21/572677621.db2.gz XCYADQPTLAKYQC-MRVPVSSYSA-N 1 0 190.246 2.198 10 0 AEAERO CCC[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO 252714037 572677653 /nfs/dbraw/zinc/67/76/53/572677653.db2.gz QWJCXPMDHBWUNX-QJPTWQEYSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[NH2+][C@@H](CCC)C(F)F 87687463 572677745 /nfs/dbraw/zinc/67/77/45/572677745.db2.gz VAUDYTZLUKPGCS-ZETCQYMHSA-N 1 0 165.227 2.420 10 0 AEAERO C[C@@H](C[NH3+])SCCCCCF 307865499 572678063 /nfs/dbraw/zinc/67/80/63/572678063.db2.gz 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572678457 /nfs/dbraw/zinc/67/84/57/572678457.db2.gz NGIKBPPPAHDERN-GHMZBOCLSA-N 1 0 185.311 2.191 10 0 AEAERO CO[C@@H]1CCC[C@H]([C@@H]2CC[C@H]([NH3+])C2)C1 686339486 572678583 /nfs/dbraw/zinc/67/85/83/572678583.db2.gz NMJWNHLWJYTUHF-WHOHXGKFSA-N 1 0 197.322 2.319 10 0 AEAERO C[C@H]1CCC[C@@]([NH3+])(C(F)F)[C@@H]1C 87688275 572678596 /nfs/dbraw/zinc/67/85/96/572678596.db2.gz CSWRSZQDBQWYGO-OOZYFLPDSA-N 1 0 177.238 2.405 10 0 AEAERO COCCCC[C@@H]1CC[C@H](C)C[NH2+]1 686339443 572678869 /nfs/dbraw/zinc/67/88/69/572678869.db2.gz NGIKBPPPAHDERN-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO CO[C@@H]1CCC[C@H]([C@H]2CC[C@@H]([NH3+])C2)C1 686339484 572678885 /nfs/dbraw/zinc/67/88/85/572678885.db2.gz NMJWNHLWJYTUHF-NNYUYHANSA-N 1 0 197.322 2.319 10 0 AEAERO CC[NH2+][C@H](C(F)F)[C@@H](C)CC 87687572 572679351 /nfs/dbraw/zinc/67/93/51/572679351.db2.gz VUUOMPCGGPFWSN-BQBZGAKWSA-N 1 0 165.227 2.276 10 0 AEAERO CC[C@H](C)[C@H](CO)[NH2+][C@H](C)CC1CC1 252730655 572679402 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CCC[NH2+]CC/C=C/C(F)F 87689565 572680942 /nfs/dbraw/zinc/68/09/42/572680942.db2.gz WXYZQFRMMDJXTE-HWKANZROSA-N 1 0 163.211 2.197 10 0 AEAERO CC[NH2+]C(CC)(CC)C(F)F 87688952 572680954 /nfs/dbraw/zinc/68/09/54/572680954.db2.gz SWIQGSGJOIQDDL-UHFFFAOYSA-N 1 0 165.227 2.420 10 0 AEAERO C/C=C\C[NH+]1C[C@H](C)S[C@@H](C)C1 393370199 572680970 /nfs/dbraw/zinc/68/09/70/572680970.db2.gz LSVDGLPZBPLBLU-NDVXOHMPSA-N 1 0 185.336 2.388 10 0 AEAERO CCC(CC)[C@H]([NH2+]C)C(F)F 87688716 572680997 /nfs/dbraw/zinc/68/09/97/572680997.db2.gz GWDAGHAWXJSEIN-ZETCQYMHSA-N 1 0 165.227 2.276 10 0 AEAERO [NH3+]CCCC1=CC=CC=CC=C1 307867825 572681158 /nfs/dbraw/zinc/68/11/58/572681158.db2.gz CSZLLAZUHVSHLN-UHFFFAOYSA-N 1 0 161.248 2.334 10 0 AEAERO C[C@@H](C[N@H+](C)C1CCCCC1)[C@@H](C)O 238406594 572681621 /nfs/dbraw/zinc/68/16/21/572681621.db2.gz VYMPPGSLRDUGOB-WDEREUQCSA-N 1 0 199.338 2.268 10 0 AEAERO CSCC[NH2+]CCCCCF 307866929 572681672 /nfs/dbraw/zinc/68/16/72/572681672.db2.gz GWGBJJUVBLAVLK-UHFFFAOYSA-N 1 0 179.304 2.079 10 0 AEAERO Fc1ccc(F)c(Nc2[nH]cc[nH+]2)c1 236156268 572681728 /nfs/dbraw/zinc/68/17/28/572681728.db2.gz HHVFLYURTCMJQC-UHFFFAOYSA-N 1 0 195.172 2.432 10 0 AEAERO CCC[NH2+][C@](C)(CCOC)C(F)F 87689226 572681741 /nfs/dbraw/zinc/68/17/41/572681741.db2.gz QOBMGZMIGRSMEK-SECBINFHSA-N 1 0 195.253 2.046 10 0 AEAERO FCC[NH2+][C@H]1CC[C@H](C2CC2)C1 308092109 572681847 /nfs/dbraw/zinc/68/18/47/572681847.db2.gz UQVCQGWMGDCESQ-UWVGGRQHSA-N 1 0 171.259 2.124 10 0 AEAERO FCC[NH2+][C@H]1CC[C@@H](C2CC2)C1 308092115 572681851 /nfs/dbraw/zinc/68/18/51/572681851.db2.gz UQVCQGWMGDCESQ-ZJUUUORDSA-N 1 0 171.259 2.124 10 0 AEAERO FCC[NH2+][C@@H]1CC[C@@H](C2CC2)C1 308092107 572681902 /nfs/dbraw/zinc/68/19/02/572681902.db2.gz UQVCQGWMGDCESQ-NXEZZACHSA-N 1 0 171.259 2.124 10 0 AEAERO CC/C=C/[NH2+]CCCC 116317315 572681996 /nfs/dbraw/zinc/68/19/96/572681996.db2.gz HRUUZIMVOKMTCK-FNORWQNLSA-N 1 0 127.231 2.300 10 0 AEAERO C[C@H]1CC[C@]([NH3+])(C(F)F)C[C@@H]1C 87688307 572682102 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70765404 572741262 /nfs/dbraw/zinc/74/12/62/572741262.db2.gz ZGBVDGHJJJGEJJ-GRYCIOLGSA-N 1 0 197.322 2.070 10 0 AEAERO COc1cc(C)cc(C)c1[C@H](F)C[NH3+] 234817177 572741444 /nfs/dbraw/zinc/74/14/44/572741444.db2.gz MSMIRWWRLMXBLF-SECBINFHSA-N 1 0 197.253 2.281 10 0 AEAERO C[C@@H]1CC[C@](O)([C@@H]2CCCCC[NH2+]2)C1 70765132 572741527 /nfs/dbraw/zinc/74/15/27/572741527.db2.gz HXJABZNVDAGOCK-GRYCIOLGSA-N 1 0 197.322 2.070 10 0 AEAERO CCC[NH+](CCC)[C@H]1CNCC[C@@H]1C 85439204 572741806 /nfs/dbraw/zinc/74/18/06/572741806.db2.gz ICYIDMANOONDGV-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[NH+](CCC)[C@@H]1CNCC[C@H]1C 85439206 572741972 /nfs/dbraw/zinc/74/19/72/572741972.db2.gz ICYIDMANOONDGV-VXGBXAGGSA-N 1 0 198.354 2.106 10 0 AEAERO CCCCCN(C)[C@@H]1C[NH2+]CC[C@@H]1C 85439293 572742205 /nfs/dbraw/zinc/74/22/05/572742205.db2.gz DZKOMFKKUAEBFX-NWDGAFQWSA-N 1 0 198.354 2.106 10 0 AEAERO C[C@H]([NH3+])CCCO[C@@H](C)C(F)(F)F 85421789 572742400 /nfs/dbraw/zinc/74/24/00/572742400.db2.gz 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C[C@H]1CCC[C@H]1[N@@H+]1CCC(=O)[C@H](C)C1 70831908 572742947 /nfs/dbraw/zinc/74/29/47/572742947.db2.gz XTGXBPCJIOGVQQ-HBNTYKKESA-N 1 0 195.306 2.086 10 0 AEAERO C[C@H]([NH3+])C[C@@H](C)O[C@@H](C)C(F)(F)F 85421615 572742979 /nfs/dbraw/zinc/74/29/79/572742979.db2.gz NFQTUGCNCKWSID-XVMARJQXSA-N 1 0 199.216 2.080 10 0 AEAERO C[C@H]([NH3+])CCCO[C@H](C)C(F)(F)F 85421791 572743133 /nfs/dbraw/zinc/74/31/33/572743133.db2.gz NOTJPSRIDSLDDS-NKWVEPMBSA-N 1 0 199.216 2.081 10 0 AEAERO C[C@@H](CCC[NH3+])O[C@H](C)C(F)(F)F 85423458 572743335 /nfs/dbraw/zinc/74/33/35/572743335.db2.gz IBPRDWDUUKJGTA-NKWVEPMBSA-N 1 0 199.216 2.081 10 0 AEAERO CCC[C@H]([NH3+])CO[C@H](C)C(F)(F)F 85421799 572743360 /nfs/dbraw/zinc/74/33/60/572743360.db2.gz MPZJQAJBXATEHF-RQJHMYQMSA-N 1 0 199.216 2.081 10 0 AEAERO C[C@@H]1C[N@H+]([C@H]2CCC[C@H]2C)CCC1=O 70831899 572743363 /nfs/dbraw/zinc/74/33/63/572743363.db2.gz XTGXBPCJIOGVQQ-MXWKQRLJSA-N 1 0 195.306 2.086 10 0 AEAERO COC1CCC(C2(C[NH3+])CCC2)CC1 686338035 572743365 /nfs/dbraw/zinc/74/33/65/572743365.db2.gz BYOBPJIIUFVFKJ-UHFFFAOYSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@H](OCCCCC[NH3+])C(F)(F)F 85421378 572743404 /nfs/dbraw/zinc/74/34/04/572743404.db2.gz XLLVEJXNMHKKHJ-ZETCQYMHSA-N 1 0 199.216 2.083 10 0 AEAERO CC[C@H]([NH3+])[C@@H](C)O[C@@H](C)C(F)(F)F 85421749 572743694 /nfs/dbraw/zinc/74/36/94/572743694.db2.gz QMURLDLZPCRZTH-VQVTYTSYSA-N 1 0 199.216 2.080 10 0 AEAERO C[N@H+](CC[C@H]1CCCC[NH2+]1)C(C)(C)C 85438341 572743734 /nfs/dbraw/zinc/74/37/34/572743734.db2.gz BZFMNQPQKWKPNK-LLVKDONJSA-N 1 0 198.354 2.249 10 0 AEAERO CC(C)COC[C@H](C)C[NH2+]C1CCC1 714543240 572743818 /nfs/dbraw/zinc/74/38/18/572743818.db2.gz FCQVYPMLVFGARW-LLVKDONJSA-N 1 0 199.338 2.437 10 0 AEAERO CCC[C@@H]([NH3+])CO[C@H](C)C(F)(F)F 85421800 572743915 /nfs/dbraw/zinc/74/39/15/572743915.db2.gz MPZJQAJBXATEHF-RNFRBKRXSA-N 1 0 199.216 2.081 10 0 AEAERO COC1CCC(C2=C[C@H]([NH3+])CC2)CC1 686338027 572743945 /nfs/dbraw/zinc/74/39/45/572743945.db2.gz STENKGFIQKGPAK-CKBZRRDASA-N 1 0 195.306 2.239 10 0 AEAERO CCC[NH+](CCC)[C@H]1CNCC[C@H]1C 85439208 572743994 /nfs/dbraw/zinc/74/39/94/572743994.db2.gz ICYIDMANOONDGV-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO C[NH2+][C@@H]1c2c(F)ccc(F)c2O[C@H]1C 70819680 572744022 /nfs/dbraw/zinc/74/40/22/572744022.db2.gz YKZILVXHXWBETF-CDUCUWFYSA-N 1 0 199.200 2.006 10 0 AEAERO CC[C@H]([NH3+])[C@H](C)O[C@@H](C)C(F)(F)F 85421751 572744200 /nfs/dbraw/zinc/74/42/00/572744200.db2.gz QMURLDLZPCRZTH-ACZMJKKPSA-N 1 0 199.216 2.080 10 0 AEAERO C[N@H+](CC[C@@H]1CCCC[NH2+]1)C(C)(C)C 85438339 572744271 /nfs/dbraw/zinc/74/42/71/572744271.db2.gz BZFMNQPQKWKPNK-NSHDSACASA-N 1 0 198.354 2.249 10 0 AEAERO C[C@H](CCC[NH3+])O[C@H](C)C(F)(F)F 85423460 572744300 /nfs/dbraw/zinc/74/43/00/572744300.db2.gz IBPRDWDUUKJGTA-RNFRBKRXSA-N 1 0 199.216 2.081 10 0 AEAERO C[C@@H]1SCC[C@@H]1[NH2+]C/C=C\Cl 307897853 572744323 /nfs/dbraw/zinc/74/43/23/572744323.db2.gz KBBKVLUCHMHGMJ-ABXVWLFBSA-N 1 0 191.727 2.223 10 0 AEAERO C[C@@H]1SCC[C@H]1[NH2+]C/C=C\Cl 307897854 572744365 /nfs/dbraw/zinc/74/43/65/572744365.db2.gz KBBKVLUCHMHGMJ-JCIYNLPVSA-N 1 0 191.727 2.223 10 0 AEAERO C/C(=C/CC1CC1)CCC[NH3+] 307897838 572744435 /nfs/dbraw/zinc/74/44/35/572744435.db2.gz JYXQHOYMTKMPGV-WTKPLQERSA-N 1 0 153.269 2.472 10 0 AEAERO CC[C@H]1CC[C@H]([NH2+]CC2(C)COC2)C1 85444960 572747316 /nfs/dbraw/zinc/74/73/16/572747316.db2.gz GNFDNCOHPMWNQB-QWRGUYRKSA-N 1 0 197.322 2.191 10 0 AEAERO CCC[NH+](CCC)[C@@H]1CNCC[C@@H]1C 85439202 572744490 /nfs/dbraw/zinc/74/44/90/572744490.db2.gz ICYIDMANOONDGV-NWDGAFQWSA-N 1 0 198.354 2.106 10 0 AEAERO C=C/C=C/CCNCC[NH2+]C(C)(C)C 713485120 572744522 /nfs/dbraw/zinc/74/45/22/572744522.db2.gz MKFHTRRPZULEJR-VOTSOKGWSA-N 1 0 196.338 2.096 10 0 AEAERO C/C=C\C[NH2+]C1(CC)CCC1 307901730 572747319 /nfs/dbraw/zinc/74/73/19/572747319.db2.gz UVZNRUXABDHIEY-HYXAFXHYSA-N 1 0 153.269 2.485 10 0 AEAERO CCCN(CC)c1[nH+]cc(C)cc1N 85425212 572744592 /nfs/dbraw/zinc/74/45/92/572744592.db2.gz UOJBMZSDUBWDHT-UHFFFAOYSA-N 1 0 193.294 2.209 10 0 AEAERO 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87961404 572777214 /nfs/dbraw/zinc/77/72/14/572777214.db2.gz IQDRKJKERRLERV-NWDGAFQWSA-N 1 0 199.338 2.439 10 0 AEAERO CC[NH2+]C[C@@H]1CCCC[C@@H]1COC 87961063 572777269 /nfs/dbraw/zinc/77/72/69/572777269.db2.gz DCTNAXRKGZWISY-WDEREUQCSA-N 1 0 185.311 2.049 10 0 AEAERO C[NH2+]C[C@@H]1CCCC[C@H]1COC(C)C 87960411 572777377 /nfs/dbraw/zinc/77/73/77/572777377.db2.gz ZJMHCXNTXONKGA-RYUDHWBXSA-N 1 0 199.338 2.437 10 0 AEAERO CCCC[C@H]([NH3+])c1cc(N)c(C)cn1 713748908 572777389 /nfs/dbraw/zinc/77/73/89/572777389.db2.gz OIDOJGVVTZBSNZ-VIFPVBQESA-N 1 0 193.294 2.162 10 0 AEAERO C/C=C/CC[NH2+]CC1(SC)CC1 307929315 572777415 /nfs/dbraw/zinc/77/74/15/572777415.db2.gz BIBHDOMDOJZOCU-ONEGZZNKSA-N 1 0 185.336 2.438 10 0 AEAERO CC[NH2+]C[C@@H]1CCCC[C@H]1COC 87961067 572777599 /nfs/dbraw/zinc/77/75/99/572777599.db2.gz DCTNAXRKGZWISY-QWRGUYRKSA-N 1 0 185.311 2.049 10 0 AEAERO OCCCCCC[C@@H]1CCCC[NH2+]C1 236477585 572777604 /nfs/dbraw/zinc/77/76/04/572777604.db2.gz XBGSVWKNEGZLGM-GFCCVEGCSA-N 1 0 199.338 2.319 10 0 AEAERO C[NH2+]C[C@@H]1CCCCC[C@@H]1COC 87962620 572777623 /nfs/dbraw/zinc/77/76/23/572777623.db2.gz KAZQHCRWLDSJCA-WDEREUQCSA-N 1 0 185.311 2.049 10 0 AEAERO C[NH2+]C[C@H]1CCCC[C@@H]1CCCOC 87960791 572777657 /nfs/dbraw/zinc/77/76/57/572777657.db2.gz CZRJVLWDWSEJNZ-VXGBXAGGSA-N 1 0 199.338 2.439 10 0 AEAERO C(\CC1CCCC1)=C1\CC[NH2+]C1 307930693 572777666 /nfs/dbraw/zinc/77/76/66/572777666.db2.gz APDNURDESCXWRQ-IZZDOVSWSA-N 1 0 165.280 2.486 10 0 AEAERO CCC[NH2+]C[C@H]1CCCC[C@@H]1COC 87961407 572777682 /nfs/dbraw/zinc/77/76/82/572777682.db2.gz IQDRKJKERRLERV-VXGBXAGGSA-N 1 0 199.338 2.439 10 0 AEAERO C/C=C\CC[NH2+]CC1(SC)CC1 307929313 572777970 /nfs/dbraw/zinc/77/79/70/572777970.db2.gz BIBHDOMDOJZOCU-ARJAWSKDSA-N 1 0 185.336 2.438 10 0 AEAERO C[NH2+]C[C@@H]1CCCC[C@@H]1CCCOC 87960789 572777983 /nfs/dbraw/zinc/77/79/83/572777983.db2.gz CZRJVLWDWSEJNZ-NEPJUHHUSA-N 1 0 199.338 2.439 10 0 AEAERO C[NH2+]C[C@H]1CCCCC[C@@H]1COC 87962622 572778000 /nfs/dbraw/zinc/77/80/00/572778000.db2.gz KAZQHCRWLDSJCA-GHMZBOCLSA-N 1 0 185.311 2.049 10 0 AEAERO CC(C)C[NH2+]Cc1c[nH]nc1C(C)C 85654839 572778020 /nfs/dbraw/zinc/77/80/20/572778020.db2.gz CNRMVYZLNHHCHK-UHFFFAOYSA-N 1 0 195.310 2.279 10 0 AEAERO CC1(CSCC2C[NH2+]C2)CCC1 307928947 572778733 /nfs/dbraw/zinc/77/87/33/572778733.db2.gz AXQCOOURIKOZNW-UHFFFAOYSA-N 1 0 185.336 2.129 10 0 AEAERO CCOC[C@H]1CCCC[C@H]1C[NH2+]C 87960849 572778116 /nfs/dbraw/zinc/77/81/16/572778116.db2.gz ZPIXOWLRPMYIIW-WDEREUQCSA-N 1 0 185.311 2.049 10 0 AEAERO C[C@@H](CCC[NH3+])CC[C@H]1CCCO1 308117999 572778169 /nfs/dbraw/zinc/77/81/69/572778169.db2.gz AZKACHWSHXPAMM-WDEREUQCSA-N 1 0 185.311 2.321 10 0 AEAERO CC/C(C)=C(\CCC[NH3+])COC 307929387 572778312 /nfs/dbraw/zinc/77/83/12/572778312.db2.gz AGTLGGKVFYSXNA-MDZDMXLPSA-N 1 0 171.284 2.098 10 0 AEAERO CCOC[C@H]1CCCC[C@@H]1C[NH2+]C 87960845 572778317 /nfs/dbraw/zinc/77/83/17/572778317.db2.gz ZPIXOWLRPMYIIW-GHMZBOCLSA-N 1 0 185.311 2.049 10 0 AEAERO C[NH2+]C[C@H]1CCCC[C@@H]1COC(C)C 87960410 572778336 /nfs/dbraw/zinc/77/83/36/572778336.db2.gz ZJMHCXNTXONKGA-VXGBXAGGSA-N 1 0 199.338 2.437 10 0 AEAERO CC[NH2+]C[C@H]1CCCC[C@@H]1COC 87961065 572778350 /nfs/dbraw/zinc/77/83/50/572778350.db2.gz DCTNAXRKGZWISY-GHMZBOCLSA-N 1 0 185.311 2.049 10 0 AEAERO CC[NH2+][C@@H](CCCCF)CSC 308118717 572778461 /nfs/dbraw/zinc/77/84/61/572778461.db2.gz NUYITRSTIJLCCQ-VIFPVBQESA-N 1 0 193.331 2.467 10 0 AEAERO CC[NH2+]C[C@H]1CCCC[C@H]1COCC 87961290 572778502 /nfs/dbraw/zinc/77/85/02/572778502.db2.gz BTHOZRUNHVPKIH-NEPJUHHUSA-N 1 0 199.338 2.439 10 0 AEAERO C/C=C\CC[NH2+][C@@H]1CS[C@@H](C)C1 307930242 572778589 /nfs/dbraw/zinc/77/85/89/572778589.db2.gz NHXKHSKZJIKJGR-CMIOBCHKSA-N 1 0 185.336 2.436 10 0 AEAERO CCOC[C@@H]1CCCC[C@H]1C[NH2+]C 87960847 572778612 /nfs/dbraw/zinc/77/86/12/572778612.db2.gz ZPIXOWLRPMYIIW-QWRGUYRKSA-N 1 0 185.311 2.049 10 0 AEAERO C[NH2+][C@H](C)/C=C\c1nc(C)cs1 307930325 572778635 /nfs/dbraw/zinc/77/86/35/572778635.db2.gz BPUHTJJPAZOAHM-IQXGSHKSSA-N 1 0 182.292 2.073 10 0 AEAERO CCC(=[NH2+])NCC(CC)(CC)OC 308118842 572778665 /nfs/dbraw/zinc/77/86/65/572778665.db2.gz BUHQEEWTPSPECS-UHFFFAOYSA-N 1 0 186.299 2.168 10 0 AEAERO COC[C@@H]1CCCC[C@@H]1C[NH2+]C(C)C 87961653 572778835 /nfs/dbraw/zinc/77/88/35/572778835.db2.gz PVQQAERDZRNAJD-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO C[C@@H](CCC[NH3+])CC[C@@H]1CCCO1 308117998 572778757 /nfs/dbraw/zinc/77/87/57/572778757.db2.gz AZKACHWSHXPAMM-QWRGUYRKSA-N 1 0 185.311 2.321 10 0 AEAERO C[NH2+]C[C@H]1CCCCC[C@H]1COC 87962625 572778813 /nfs/dbraw/zinc/77/88/13/572778813.db2.gz KAZQHCRWLDSJCA-MNOVXSKESA-N 1 0 185.311 2.049 10 0 AEAERO C[NH2+][C@@H](C)/C=C\c1nc(C)cs1 307930333 572778845 /nfs/dbraw/zinc/77/88/45/572778845.db2.gz BPUHTJJPAZOAHM-MJSGSUOKSA-N 1 0 182.292 2.073 10 0 AEAERO COCC(C)(C)[NH2+][C@@H](C)C(C)C 307930770 572778849 /nfs/dbraw/zinc/77/88/49/572778849.db2.gz NTKNOTOJCDOFLJ-VIFPVBQESA-N 1 0 173.300 2.046 10 0 AEAERO CCC[NH2+]C[C@H]1CCCC[C@H]1COC 87961411 572778885 /nfs/dbraw/zinc/77/88/85/572778885.db2.gz IQDRKJKERRLERV-NEPJUHHUSA-N 1 0 199.338 2.439 10 0 AEAERO C[NH2+][C@H](C)/C(C)=C\c1ccoc1 307929399 572779024 /nfs/dbraw/zinc/77/90/24/572779024.db2.gz AIVHNXQCQYOIOU-JGAIRUGNSA-N 1 0 165.236 2.291 10 0 AEAERO C[NH2+]C[C@H]1CCCC[C@H]1CCCOC 87960797 572779135 /nfs/dbraw/zinc/77/91/35/572779135.db2.gz CZRJVLWDWSEJNZ-NWDGAFQWSA-N 1 0 199.338 2.439 10 0 AEAERO C[NH2+]CC(C)(C)[C@@H]1CCC[C@@H]1OC 308118899 572779245 /nfs/dbraw/zinc/77/92/45/572779245.db2.gz CBBCSBXIWOCAKD-ZJUUUORDSA-N 1 0 185.311 2.047 10 0 AEAERO CCCC[C@@H]([NH3+])c1cc(N)c(C)cn1 713748894 572779308 /nfs/dbraw/zinc/77/93/08/572779308.db2.gz OIDOJGVVTZBSNZ-SECBINFHSA-N 1 0 193.294 2.162 10 0 AEAERO CCCc1n[nH]cc1C[NH2+]CC(C)C 85654834 572779322 /nfs/dbraw/zinc/77/93/22/572779322.db2.gz ZQEAXKIMZBPBKI-UHFFFAOYSA-N 1 0 195.310 2.108 10 0 AEAERO COC[C@@H]1CCCC[C@H]1C[NH2+]C(C)C 87961651 572779325 /nfs/dbraw/zinc/77/93/25/572779325.db2.gz PVQQAERDZRNAJD-RYUDHWBXSA-N 1 0 199.338 2.437 10 0 AEAERO CCOC[C@H]1CCCCC[C@@H]1C[NH2+]C 87962846 572779415 /nfs/dbraw/zinc/77/94/15/572779415.db2.gz OYVSZAKQXOWXBX-VXGBXAGGSA-N 1 0 199.338 2.439 10 0 AEAERO C/C(=C/c1cnccc1C)[C@@H](C)[NH3+] 308119561 572779432 /nfs/dbraw/zinc/77/94/32/572779432.db2.gz ZRBWEYUKYGATMN-ABRRARGCSA-N 1 0 176.263 2.141 10 0 AEAERO C[NH2+]C[C@H]1CCCC[C@H]1COC(C)C 87960408 572779467 /nfs/dbraw/zinc/77/94/67/572779467.db2.gz ZJMHCXNTXONKGA-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO CC[NH2+]C[C@@H]1CCCC[C@H]1COCC 87961288 572779471 /nfs/dbraw/zinc/77/94/71/572779471.db2.gz BTHOZRUNHVPKIH-RYUDHWBXSA-N 1 0 199.338 2.439 10 0 AEAERO C/C=C\CC[NH2+][C@@H]1CS[C@H](C)C1 307930247 572779480 /nfs/dbraw/zinc/77/94/80/572779480.db2.gz NHXKHSKZJIKJGR-QKMQQOOLSA-N 1 0 185.336 2.436 10 0 AEAERO C[NH2+][C@@H](C)/C=C\c1ccc(C)cn1 308119403 572779483 /nfs/dbraw/zinc/77/94/83/572779483.db2.gz ZGTZABCVVVTUBY-BXKUYDPTSA-N 1 0 176.263 2.011 10 0 AEAERO C/C(=C\[C@H]1CCCO1)CCCC[NH3+] 308119300 572779718 /nfs/dbraw/zinc/77/97/18/572779718.db2.gz CEROMXNUMRWJJZ-PBQZMEPESA-N 1 0 183.295 2.241 10 0 AEAERO COC[C@H]1CCC[C@H]1C[NH2+]CC(C)C 87960097 572779568 /nfs/dbraw/zinc/77/95/68/572779568.db2.gz WCDDASRHAUVXSB-NWDGAFQWSA-N 1 0 199.338 2.295 10 0 AEAERO OCCCCCC[C@H]1CCCC[NH2+]C1 236478300 572779610 /nfs/dbraw/zinc/77/96/10/572779610.db2.gz XBGSVWKNEGZLGM-LBPRGKRZSA-N 1 0 199.338 2.319 10 0 AEAERO CCC[NH2+]C[C@@H]1CCCC[C@H]1COC 87961410 572779620 /nfs/dbraw/zinc/77/96/20/572779620.db2.gz IQDRKJKERRLERV-RYUDHWBXSA-N 1 0 199.338 2.439 10 0 AEAERO COC[C@H]1CCCC[C@@H]1C[NH2+]C1CC1 87961876 572779635 /nfs/dbraw/zinc/77/96/35/572779635.db2.gz QGKLJIHDQYTHTR-GHMZBOCLSA-N 1 0 197.322 2.191 10 0 AEAERO C/C=C\C[NH2+]CCc1cccs1 307930747 572779652 /nfs/dbraw/zinc/77/96/52/572779652.db2.gz BZHMXEQVNODYEC-IHWYPQMZSA-N 1 0 181.304 2.456 10 0 AEAERO C/C=C\CC[NH2+][C@@H]1CCCSC1 307929351 572779658 /nfs/dbraw/zinc/77/96/58/572779658.db2.gz MNKZGODASYYNTJ-MXQLGCADSA-N 1 0 185.336 2.438 10 0 AEAERO c1ccn([C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 49570118 572779786 /nfs/dbraw/zinc/77/97/86/572779786.db2.gz NBUNOUIMTBPRPH-VXGBXAGGSA-N 1 0 190.290 2.287 10 0 AEAERO CC(C)CC[C@H]([NH3+])C1=COCC1 308119193 572779822 /nfs/dbraw/zinc/77/98/22/572779822.db2.gz OCMHQMGOVNPPPO-JTQLQIEISA-N 1 0 169.268 2.054 10 0 AEAERO CC[NH+](CC)[C@H](C)/C(C)=C(/C)CO 308120342 572779806 /nfs/dbraw/zinc/77/98/06/572779806.db2.gz GMDFQQZIVUMXSS-DWOQACPDSA-N 1 0 185.311 2.045 10 0 AEAERO C[NH2+][C@H](C)/C=C\c1ccc(C)cn1 308119515 572779891 /nfs/dbraw/zinc/77/98/91/572779891.db2.gz ZGTZABCVVVTUBY-ONRRBMGISA-N 1 0 176.263 2.011 10 0 AEAERO C/C=C\CC[NH2+][C@H]1CCCSC1 307929352 572780036 /nfs/dbraw/zinc/78/00/36/572780036.db2.gz MNKZGODASYYNTJ-ZMWSMAPVSA-N 1 0 185.336 2.438 10 0 AEAERO CCCC[C@H]1CC[C@@H](CC[NH3+])O1 308119213 572780105 /nfs/dbraw/zinc/78/01/05/572780105.db2.gz ODGLVXWGFFIUCI-UWVGGRQHSA-N 1 0 171.284 2.073 10 0 AEAERO C[C@@H]([NH3+])[C@](C)(F)CCC(F)(F)F 308119585 572780134 /nfs/dbraw/zinc/78/01/34/572780134.db2.gz OFJOPOMZONAAFG-PHDIDXHHSA-N 1 0 187.180 2.404 10 0 AEAERO C[C@@H]1CC[C@H](C[C@@H]2CCCC[C@H]2[NH3+])O1 299990931 572780195 /nfs/dbraw/zinc/78/01/95/572780195.db2.gz BBOHRNCAKOVDAP-WRWGMCAJSA-N 1 0 197.322 2.462 10 0 AEAERO C[NH2+]CC(C)(C)[C@H]1CCC[C@@H]1OC 308118897 572780210 /nfs/dbraw/zinc/78/02/10/572780210.db2.gz CBBCSBXIWOCAKD-UWVGGRQHSA-N 1 0 185.311 2.047 10 0 AEAERO C/C(=C/c1cnccc1C)[C@H](C)[NH3+] 308119562 572780215 /nfs/dbraw/zinc/78/02/15/572780215.db2.gz ZRBWEYUKYGATMN-MBACFSSFSA-N 1 0 176.263 2.141 10 0 AEAERO CC[NH+](CC)C(C)(C)/C=C\[C@H](C)O 308120086 572780229 /nfs/dbraw/zinc/78/02/29/572780229.db2.gz FQBKWCSJIWZTQJ-QROTZFDESA-N 1 0 185.311 2.044 10 0 AEAERO CC[NH2+]C[C@@H]1CCCCC[C@@H]1COC 87962971 572780268 /nfs/dbraw/zinc/78/02/68/572780268.db2.gz FXNYPZCGFFVBFG-NWDGAFQWSA-N 1 0 199.338 2.439 10 0 AEAERO CC[NH2+]CC(C)(C)c1cscn1 308120371 572780278 /nfs/dbraw/zinc/78/02/78/572780278.db2.gz OZXSFWPRQLYXEH-UHFFFAOYSA-N 1 0 184.308 2.030 10 0 AEAERO COCC(C)(C)[NH2+][C@H](C)C(C)C 307930763 572780283 /nfs/dbraw/zinc/78/02/83/572780283.db2.gz NTKNOTOJCDOFLJ-SECBINFHSA-N 1 0 173.300 2.046 10 0 AEAERO c1ccn([C@H]2CC[N@@H+]3CCCC[C@H]23)c1 49570119 572780295 /nfs/dbraw/zinc/78/02/95/572780295.db2.gz NBUNOUIMTBPRPH-NEPJUHHUSA-N 1 0 190.290 2.287 10 0 AEAERO CC[NH+](CC)C(C)(C)/C=C\[C@@H](C)O 308120085 572780309 /nfs/dbraw/zinc/78/03/09/572780309.db2.gz FQBKWCSJIWZTQJ-HSTULFTRSA-N 1 0 185.311 2.044 10 0 AEAERO C[NH2+][C@@H]1CC[C@H](C[C@H]2CC[C@@H](C)O2)C1 299997924 572780396 /nfs/dbraw/zinc/78/03/96/572780396.db2.gz WWSLXHYOUBNAEH-WRWGMCAJSA-N 1 0 197.322 2.332 10 0 AEAERO C[NH2+][C@@H]1CC[C@H](C[C@@H]2CC[C@H](C)O2)C1 299997925 572780426 /nfs/dbraw/zinc/78/04/26/572780426.db2.gz WWSLXHYOUBNAEH-YFKTTZPYSA-N 1 0 197.322 2.332 10 0 AEAERO C[C@@H]1CC[NH2+][C@H](C[C@H]2CC[C@@H](C)O2)C1 299991844 572780437 /nfs/dbraw/zinc/78/04/37/572780437.db2.gz FJKSCXPDBIFRFA-WISYIIOYSA-N 1 0 197.322 2.332 10 0 AEAERO C[C@H]([NH3+])[C@@](C)(F)CCC(F)(F)F 308119593 572780444 /nfs/dbraw/zinc/78/04/44/572780444.db2.gz OFJOPOMZONAAFG-WDSKDSINSA-N 1 0 187.180 2.404 10 0 AEAERO C[C@@H]1CC[C@H](/C=C2/CCC[C@H]([NH3+])C2)O1 299997195 572780542 /nfs/dbraw/zinc/78/05/42/572780542.db2.gz RLDRIPCIKHUSTN-VIVGAGLMSA-N 1 0 195.306 2.382 10 0 AEAERO CC[NH2+]C[C@H]1CCCCC[C@@H]1COC 87962973 572780550 /nfs/dbraw/zinc/78/05/50/572780550.db2.gz FXNYPZCGFFVBFG-VXGBXAGGSA-N 1 0 199.338 2.439 10 0 AEAERO CCOC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C 87964109 572780554 /nfs/dbraw/zinc/78/05/54/572780554.db2.gz RJZKJQIBOQYCCN-TUAOUCFPSA-N 1 0 199.338 2.295 10 0 AEAERO C[C@H]1CC[C@H](C[C@@H]2C[C@H](C)CC[NH2+]2)O1 299991842 572780581 /nfs/dbraw/zinc/78/05/81/572780581.db2.gz FJKSCXPDBIFRFA-NOOOWODRSA-N 1 0 197.322 2.332 10 0 AEAERO C[C@@H]([NH3+])[C@@](C)(F)CCC(F)(F)F 308119590 572780646 /nfs/dbraw/zinc/78/06/46/572780646.db2.gz OFJOPOMZONAAFG-RITPCOANSA-N 1 0 187.180 2.404 10 0 AEAERO CCC(CC)(C[NH3+])OC(F)(F)F 308120445 572780651 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/nfs/dbraw/zinc/78/82/56/572788256.db2.gz IWBVXLFBPBEKKF-SNVBAGLBSA-N 1 0 187.327 2.268 10 0 AEAERO CC[C@@](C)([C@@H](N)c1ccoc1)[NH+](C)C 85745806 572788264 /nfs/dbraw/zinc/78/82/64/572788264.db2.gz FDUFEDWTYYCKAX-QWRGUYRKSA-N 1 0 196.294 2.010 10 0 AEAERO CC[C@@H](N)[C@@](C)(CC)[NH+](CC)CC 85747726 572788336 /nfs/dbraw/zinc/78/83/36/572788336.db2.gz YQSKMRKDCUNIOC-GHMZBOCLSA-N 1 0 186.343 2.234 10 0 AEAERO CC[C@](C)([C@@H](N)c1ccoc1)[NH+](C)C 85745809 572788346 /nfs/dbraw/zinc/78/83/46/572788346.db2.gz FDUFEDWTYYCKAX-WDEREUQCSA-N 1 0 196.294 2.010 10 0 AEAERO CC[C@](C)([C@H](O)C(C)(C)C)[NH+](C)C 85743877 572788358 /nfs/dbraw/zinc/78/83/58/572788358.db2.gz QQWMQNYNZBVULO-MWLCHTKSSA-N 1 0 187.327 2.124 10 0 AEAERO CCC[C@@H]([NH3+])c1cc2cc[nH]c2cn1 713753053 572788361 /nfs/dbraw/zinc/78/83/61/572788361.db2.gz LBNFUEHHFHAPQN-SECBINFHSA-N 1 0 189.262 2.363 10 0 AEAERO C[NH2+][C@@H](CC1CCC1)C(C)(C)N(C)C 85737788 572788401 /nfs/dbraw/zinc/78/84/01/572788401.db2.gz BDEVMRWUXRZINP-NSHDSACASA-N 1 0 198.354 2.105 10 0 AEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)C1CC1 85747974 572788429 /nfs/dbraw/zinc/78/84/29/572788429.db2.gz WDBBQZSLUKTJED-RYUDHWBXSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@@](C)([C@H](N)c1ccco1)[NH+](C)C 85745526 572788443 /nfs/dbraw/zinc/78/84/43/572788443.db2.gz YRWRBBCXJLDCTC-MNOVXSKESA-N 1 0 196.294 2.010 10 0 AEAERO CC[C@H](N)[C@](C)(CC)[NH+](CC)CC 85747729 572788471 /nfs/dbraw/zinc/78/84/71/572788471.db2.gz YQSKMRKDCUNIOC-QWRGUYRKSA-N 1 0 186.343 2.234 10 0 AEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)C1CC1 85747978 572788484 /nfs/dbraw/zinc/78/84/84/572788484.db2.gz WDBBQZSLUKTJED-NWDGAFQWSA-N 1 0 198.354 2.234 10 0 AEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)C1CC1 85747968 572789670 /nfs/dbraw/zinc/78/96/70/572789670.db2.gz WDBBQZSLUKTJED-NEPJUHHUSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@](C)([C@H](O)CC(C)C)[NH+](C)C 85744003 572788502 /nfs/dbraw/zinc/78/85/02/572788502.db2.gz DACAZWPVVYWWFK-GHMZBOCLSA-N 1 0 187.327 2.124 10 0 AEAERO CC[NH2+][C@@H](C)C(C)(C)N(CC)CC 85739531 572788556 /nfs/dbraw/zinc/78/85/56/572788556.db2.gz VFKIAOJBXLEYBB-JTQLQIEISA-N 1 0 186.343 2.105 10 0 AEAERO CCC[NH2+][C@@H](C)[C@@](C)(CC)N(C)C 85747058 572788571 /nfs/dbraw/zinc/78/85/71/572788571.db2.gz XOCBIDFCIIFXDN-WDEREUQCSA-N 1 0 186.343 2.105 10 0 AEAERO CC/C=C/[C@H]1CCC[C@@H](C)[NH2+]1 141614530 572788629 /nfs/dbraw/zinc/78/86/29/572788629.db2.gz GXCAETIGNPGRHK-WQFVMHTJSA-N 1 0 153.269 2.483 10 0 AEAERO CC[NH2+][C@H](CC)[C@@](C)(CC)N(C)C 85746615 572788631 /nfs/dbraw/zinc/78/86/31/572788631.db2.gz UWXYGPFKZSSEHM-GHMZBOCLSA-N 1 0 186.343 2.105 10 0 AEAERO CC[C@](C)([C@H](O)C1CCCC1)[NH+](C)C 85744231 572788650 /nfs/dbraw/zinc/78/86/50/572788650.db2.gz OEZRGEBJPRBKDJ-VXGBXAGGSA-N 1 0 199.338 2.268 10 0 AEAERO CCC[NH2+][C@H](CC)C(C)(C)N(C)C 85738173 572788661 /nfs/dbraw/zinc/78/86/61/572788661.db2.gz YOGOQCYBMJXGFN-SNVBAGLBSA-N 1 0 186.343 2.105 10 0 AEAERO CC[C@](C)([C@H](O)c1ccoc1)[NH+](C)C 85744562 572788712 /nfs/dbraw/zinc/78/87/12/572788712.db2.gz RNHXPVXSRUZCRB-GHMZBOCLSA-N 1 0 197.278 2.043 10 0 AEAERO CC[NH+](CC)C(C)(C)[C@@H](O)C(C)C 85738698 572788682 /nfs/dbraw/zinc/78/86/82/572788682.db2.gz FJNZKFVJEYCRKM-JTQLQIEISA-N 1 0 187.327 2.124 10 0 AEAERO CC[NH+](CC)[C@](C)(CC)C(C)=O 85747285 572788733 /nfs/dbraw/zinc/78/87/33/572788733.db2.gz PJAIWNQEWKVKNJ-SNVBAGLBSA-N 1 0 171.284 2.086 10 0 AEAERO CC[C@@H](O)[C@@](C)(CC)[NH+](CC)CC 85747538 572788797 /nfs/dbraw/zinc/78/87/97/572788797.db2.gz GHZZTUBFNFXJBM-GHMZBOCLSA-N 1 0 187.327 2.268 10 0 AEAERO CC[C@H](O)[C@@](C)(CC)[NH+](CC)CC 85747535 572788802 /nfs/dbraw/zinc/78/88/02/572788802.db2.gz GHZZTUBFNFXJBM-WDEREUQCSA-N 1 0 187.327 2.268 10 0 AEAERO CCCCCC[C@](C)(O)[C@H](C)[NH3+] 308131552 572788845 /nfs/dbraw/zinc/78/88/45/572788845.db2.gz XVJOTGNEUQKLME-UWVGGRQHSA-N 1 0 173.300 2.055 10 0 AEAERO CCCCCC[C@](C)(O)[C@@H](C)[NH3+] 308131556 572788854 /nfs/dbraw/zinc/78/88/54/572788854.db2.gz XVJOTGNEUQKLME-ZJUUUORDSA-N 1 0 173.300 2.055 10 0 AEAERO CCC[C@@H]([NH2+]C)[C@](C)(CC)N(C)C 85746147 572788857 /nfs/dbraw/zinc/78/88/57/572788857.db2.gz ZTHLMZAFVCEGFA-MNOVXSKESA-N 1 0 186.343 2.105 10 0 AEAERO CCCCC(=O)[C@](C)(CC)[NH+](C)C 85742985 572789712 /nfs/dbraw/zinc/78/97/12/572789712.db2.gz UMHYJKCWNSOFPT-NSHDSACASA-N 1 0 185.311 2.476 10 0 AEAERO CC[NH2+][C@H](C1CC1)[C@@](C)(CC)N(C)C 85746890 572788884 /nfs/dbraw/zinc/78/88/84/572788884.db2.gz SEXKUBBAIUEORI-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@H]([NH3+])c1cc2cc[nH]c2cn1 713753055 572788870 /nfs/dbraw/zinc/78/88/70/572788870.db2.gz LBNFUEHHFHAPQN-VIFPVBQESA-N 1 0 189.262 2.363 10 0 AEAERO CC[C@@](C)(C(=O)CC(C)C)[NH+](C)C 85743227 572791335 /nfs/dbraw/zinc/79/13/35/572791335.db2.gz JPKOMQMQMABPGH-NSHDSACASA-N 1 0 185.311 2.332 10 0 AEAERO CC(C)CC(=O)C(C)(C)[NH+]1CCCC1 85739778 572788904 /nfs/dbraw/zinc/78/89/04/572788904.db2.gz MTQZUHXHAOALSZ-UHFFFAOYSA-N 1 0 197.322 2.476 10 0 AEAERO CCCOCCC[NH2+][C@H]1CC[C@@H]1C 308131148 572788916 /nfs/dbraw/zinc/78/89/16/572788916.db2.gz DTRKWWCOZWLXBL-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@H](O)[C@](C)(CC)[NH+](CC)CC 85747540 572788917 /nfs/dbraw/zinc/78/89/17/572788917.db2.gz GHZZTUBFNFXJBM-QWRGUYRKSA-N 1 0 187.327 2.268 10 0 AEAERO Cc1ccc(C)n1[C@H](C)CCC[NH3+] 308131485 572788924 /nfs/dbraw/zinc/78/89/24/572788924.db2.gz FAYCJNFCTDAYRR-SECBINFHSA-N 1 0 180.295 2.405 10 0 AEAERO CC[C@@H]1C[C@@H]1[C@H]([NH3+])C[C@@H]1CCCOC1 689567717 572788953 /nfs/dbraw/zinc/78/89/53/572788953.db2.gz VLTATIGOVKCUTA-WHOHXGKFSA-N 1 0 197.322 2.177 10 0 AEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)C1CC1 85747622 572788970 /nfs/dbraw/zinc/78/89/70/572788970.db2.gz FTGBXLGFBCLPIY-NWDGAFQWSA-N 1 0 199.338 2.268 10 0 AEAERO CC[C@](C)([C@@H](O)c1ccco1)[NH+](C)C 85744629 572788995 /nfs/dbraw/zinc/78/89/95/572788995.db2.gz UZLWHJPGIBQTTI-WDEREUQCSA-N 1 0 197.278 2.043 10 0 AEAERO CCCCCC[C@@](C)(O)[C@@H](C)[NH3+] 308131550 572789004 /nfs/dbraw/zinc/78/90/04/572789004.db2.gz XVJOTGNEUQKLME-NXEZZACHSA-N 1 0 173.300 2.055 10 0 AEAERO CC(C)([C@@H](O)CC1CC1)[NH+]1CCCC1 85739935 572789008 /nfs/dbraw/zinc/78/90/08/572789008.db2.gz RVLKXHFAESJBKK-NSHDSACASA-N 1 0 197.322 2.022 10 0 AEAERO CC[C@](C)(C(=O)C1CCCC1)[NH+](C)C 85743193 572789013 /nfs/dbraw/zinc/78/90/13/572789013.db2.gz AXODITAKUICGEB-GFCCVEGCSA-N 1 0 197.322 2.476 10 0 AEAERO CCCC[C@@H](O)[C@](C)(CC)[NH+](C)C 85743704 572789021 /nfs/dbraw/zinc/78/90/21/572789021.db2.gz AOEFYUDEAMJKRK-MNOVXSKESA-N 1 0 187.327 2.268 10 0 AEAERO CC[C@](C)(C(=O)CC1CCC1)[NH+](C)C 85743401 572789083 /nfs/dbraw/zinc/78/90/83/572789083.db2.gz VLCUFEKBIPRBQL-GFCCVEGCSA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@@](C)([C@H](N)C1CCCC1)[NH+](C)C 85745296 572789097 /nfs/dbraw/zinc/78/90/97/572789097.db2.gz YOXPRASMWIXOJF-NEPJUHHUSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@@](C)([C@@H](N)CC1CCC1)[NH+](C)C 85745951 572789114 /nfs/dbraw/zinc/78/91/14/572789114.db2.gz GUMNHCUGTRYDIX-RYUDHWBXSA-N 1 0 198.354 2.234 10 0 AEAERO CCCOCCC[NH2+][C@H]1CC[C@H]1C 308131146 572789133 /nfs/dbraw/zinc/78/91/33/572789133.db2.gz DTRKWWCOZWLXBL-MNOVXSKESA-N 1 0 185.311 2.191 10 0 AEAERO CCC[NH2+][C@@H](C1CC1)C(C)(C)N(C)C 85738321 572789150 /nfs/dbraw/zinc/78/91/50/572789150.db2.gz VMDFZZXGQPCFNV-NSHDSACASA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@](C)([C@@H](N)CC1CCC1)[NH+](C)C 85745954 572789164 /nfs/dbraw/zinc/78/91/64/572789164.db2.gz GUMNHCUGTRYDIX-NWDGAFQWSA-N 1 0 198.354 2.234 10 0 AEAERO CC(=O)CC[N@H+]1CC[C@H](CC(C)C)C1 307770586 572789186 /nfs/dbraw/zinc/78/91/86/572789186.db2.gz BXHXRGQTJWRBBE-GFCCVEGCSA-N 1 0 197.322 2.334 10 0 AEAERO CCC[NH2+][C@H](C1CC1)C(C)(C)N(C)C 85738326 572789189 /nfs/dbraw/zinc/78/91/89/572789189.db2.gz VMDFZZXGQPCFNV-LLVKDONJSA-N 1 0 198.354 2.105 10 0 AEAERO OCCCCCC[NH2+][C@H]1CC=CCC1 236498546 572789244 /nfs/dbraw/zinc/78/92/44/572789244.db2.gz CCIOWLCUXZXMDH-LBPRGKRZSA-N 1 0 197.322 2.237 10 0 AEAERO CC[NH+](CC)C(C)(C)[C@H](O)C(C)C 85738696 572789253 /nfs/dbraw/zinc/78/92/53/572789253.db2.gz FJNZKFVJEYCRKM-SNVBAGLBSA-N 1 0 187.327 2.124 10 0 AEAERO CCC(=O)C(C)(C)[NH+](CC)CC 85738391 572789267 /nfs/dbraw/zinc/78/92/67/572789267.db2.gz NCZQKWDBNDVAMR-UHFFFAOYSA-N 1 0 171.284 2.086 10 0 AEAERO CCC[NH2+][C@H](C)[C@@](C)(CC)N(C)C 85747061 572789288 /nfs/dbraw/zinc/78/92/88/572789288.db2.gz XOCBIDFCIIFXDN-GHMZBOCLSA-N 1 0 186.343 2.105 10 0 AEAERO CC[NH2+]C[C@H](CC)COC(C)(C)C 308131226 572789293 /nfs/dbraw/zinc/78/92/93/572789293.db2.gz DXDGLCDWLISLGO-JTQLQIEISA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@H]([NH2+]C)[C@](C)(CC)N(C)C 85746143 572789312 /nfs/dbraw/zinc/78/93/12/572789312.db2.gz ZTHLMZAFVCEGFA-QWRGUYRKSA-N 1 0 186.343 2.105 10 0 AEAERO CCC(=O)[C@](C)(CC)[NH+](CC)CC 85747202 572789332 /nfs/dbraw/zinc/78/93/32/572789332.db2.gz YLNZYGXMAPYCTF-NSHDSACASA-N 1 0 185.311 2.476 10 0 AEAERO CC[C@](C)([C@@H](O)C(C)(C)C)[NH+](C)C 85743885 572789352 /nfs/dbraw/zinc/78/93/52/572789352.db2.gz QQWMQNYNZBVULO-GXSJLCMTSA-N 1 0 187.327 2.124 10 0 AEAERO CC[C@@](C)([C@@H](N)CCC1CC1)[NH+](C)C 85745684 572789357 /nfs/dbraw/zinc/78/93/57/572789357.db2.gz CENSXNRUMKXRMG-RYUDHWBXSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@](C)([C@H](N)c1ccco1)[NH+](C)C 85745531 572789367 /nfs/dbraw/zinc/78/93/67/572789367.db2.gz YRWRBBCXJLDCTC-GHMZBOCLSA-N 1 0 196.294 2.010 10 0 AEAERO CC[NH+](CC)[C@@](C)(CC)C(C)=O 85747282 572789396 /nfs/dbraw/zinc/78/93/96/572789396.db2.gz PJAIWNQEWKVKNJ-JTQLQIEISA-N 1 0 171.284 2.086 10 0 AEAERO CC[NH2+][C@H](C)C(C)(C)N1CCCCC1 85741631 572789456 /nfs/dbraw/zinc/78/94/56/572789456.db2.gz CDWZFHSOAXIDIF-LLVKDONJSA-N 1 0 198.354 2.249 10 0 AEAERO COC1(C[C@@H]2CCCCC[NH2+]2)CCC1 234843554 572789477 /nfs/dbraw/zinc/78/94/77/572789477.db2.gz XKNBPOPYTRCYRI-NSHDSACASA-N 1 0 197.322 2.478 10 0 AEAERO CC[C@](C)(C(=O)C(C)(C)C)[NH+](C)C 85742991 572789486 /nfs/dbraw/zinc/78/94/86/572789486.db2.gz MLXYTLRBTBZCGU-LLVKDONJSA-N 1 0 185.311 2.332 10 0 AEAERO CC[C@@](C)([C@@H](O)c1ccco1)[NH+](C)C 85744625 572789553 /nfs/dbraw/zinc/78/95/53/572789553.db2.gz UZLWHJPGIBQTTI-QWRGUYRKSA-N 1 0 197.278 2.043 10 0 AEAERO CC[NH+](CC)C(C)(C)[C@@H](O)CC1CC1 85738615 572789571 /nfs/dbraw/zinc/78/95/71/572789571.db2.gz RSRBWZFWRDTQAP-NSHDSACASA-N 1 0 199.338 2.268 10 0 AEAERO CC[C@](C)([C@H](N)CCC1CC1)[NH+](C)C 85745682 572789581 /nfs/dbraw/zinc/78/95/81/572789581.db2.gz CENSXNRUMKXRMG-VXGBXAGGSA-N 1 0 198.354 2.234 10 0 AEAERO CC(C)C[C@H](O)C(C)(C)[NH+]1CCCC1 85739993 572789590 /nfs/dbraw/zinc/78/95/90/572789590.db2.gz ZEQAXECBHMVFGV-NSHDSACASA-N 1 0 199.338 2.268 10 0 AEAERO CC[C@@](C)([C@@H](N)C1CCCC1)[NH+](C)C 85745302 572789592 /nfs/dbraw/zinc/78/95/92/572789592.db2.gz YOXPRASMWIXOJF-RYUDHWBXSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@](C)([C@@H](O)C1CCCC1)[NH+](C)C 85744239 572789599 /nfs/dbraw/zinc/78/95/99/572789599.db2.gz OEZRGEBJPRBKDJ-NWDGAFQWSA-N 1 0 199.338 2.268 10 0 AEAERO CCCC(=O)[C@@](C)(CC)[NH+](C)C 85743153 572789604 /nfs/dbraw/zinc/78/96/04/572789604.db2.gz XVDSSAFDCAHPMZ-SNVBAGLBSA-N 1 0 171.284 2.086 10 0 AEAERO CC[C@@H]1C[C@H]1[C@@H]([NH3+])C[C@@H]1CCCOC1 689567712 572789629 /nfs/dbraw/zinc/78/96/29/572789629.db2.gz VLTATIGOVKCUTA-QCNOEVLYSA-N 1 0 197.322 2.177 10 0 AEAERO CC[C@@](C)([C@H](O)CCC1CC1)[NH+](C)C 85744526 572789630 /nfs/dbraw/zinc/78/96/30/572789630.db2.gz MIOPDKAUVNNAPF-NEPJUHHUSA-N 1 0 199.338 2.268 10 0 AEAERO CC[NH2+][C@@H](C1CC1)[C@](C)(CC)N(C)C 85746892 572791285 /nfs/dbraw/zinc/79/12/85/572791285.db2.gz SEXKUBBAIUEORI-RYUDHWBXSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@@H]1C[C@H]([C@H](C)CCOC)CC[NH2+]1 307767448 572789661 /nfs/dbraw/zinc/78/96/61/572789661.db2.gz ACMQVSQUSVFEKQ-IJLUTSLNSA-N 1 0 199.338 2.437 10 0 AEAERO CC[NH2+][C@@H](CC1CC1)C(C)(C)N(C)C 85738033 572789694 /nfs/dbraw/zinc/78/96/94/572789694.db2.gz ZEPBAYPXFZMJLD-NSHDSACASA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@@](C)([C@H](CC1CC1)[NH2+]C)N(C)C 85746353 572789782 /nfs/dbraw/zinc/78/97/82/572789782.db2.gz PFNJGLCRCFCUBC-RYUDHWBXSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H]([NH2+]C)C(C)(C)N1CCCCC1 85741499 572791292 /nfs/dbraw/zinc/79/12/92/572791292.db2.gz LHFGPSRITHZXMU-NSHDSACASA-N 1 0 198.354 2.249 10 0 AEAERO CC[C@](C)([C@@H](N)c1ccco1)[NH+](C)C 85745540 572789805 /nfs/dbraw/zinc/78/98/05/572789805.db2.gz YRWRBBCXJLDCTC-WDEREUQCSA-N 1 0 196.294 2.010 10 0 AEAERO CC[C@@](C)([C@H](O)C(C)(C)C)[NH+](C)C 85743873 572789851 /nfs/dbraw/zinc/78/98/51/572789851.db2.gz QQWMQNYNZBVULO-KOLCDFICSA-N 1 0 187.327 2.124 10 0 AEAERO CC[C@@](C)([C@H](N)CC1CCC1)[NH+](C)C 85745944 572789872 /nfs/dbraw/zinc/78/98/72/572789872.db2.gz GUMNHCUGTRYDIX-NEPJUHHUSA-N 1 0 198.354 2.234 10 0 AEAERO CCCN(C)[C@@](C)(CC)[C@H](C)[NH2+]C 308128284 572789879 /nfs/dbraw/zinc/78/98/79/572789879.db2.gz CFVJVKDMMYCOQT-QWRGUYRKSA-N 1 0 186.343 2.105 10 0 AEAERO CC[C@@](C)([C@H](O)c1ccco1)[NH+](C)C 85744617 572789899 /nfs/dbraw/zinc/78/98/99/572789899.db2.gz UZLWHJPGIBQTTI-MNOVXSKESA-N 1 0 197.278 2.043 10 0 AEAERO CCCC[C@H](O)[C@](C)(CC)[NH+](C)C 85743701 572789911 /nfs/dbraw/zinc/78/99/11/572789911.db2.gz AOEFYUDEAMJKRK-QWRGUYRKSA-N 1 0 187.327 2.268 10 0 AEAERO 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187.327 2.268 10 0 AEAERO CC[C@](C)(C(=O)CCC1CC1)[NH+](C)C 85743574 572790585 /nfs/dbraw/zinc/79/05/85/572790585.db2.gz IBALNZBNSWXNEP-GFCCVEGCSA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@@H]1C[C@@H]1[C@@H]([NH3+])C[C@@H]1CCCOC1 689567714 572790612 /nfs/dbraw/zinc/79/06/12/572790612.db2.gz VLTATIGOVKCUTA-USZNOCQGSA-N 1 0 197.322 2.177 10 0 AEAERO CC(C)CC[C@H](C)[N@H+](C)C[C@@H](C)N 308127747 572791412 /nfs/dbraw/zinc/79/14/12/572791412.db2.gz BYGDHBAPQLNSMX-MNOVXSKESA-N 1 0 186.343 2.090 10 0 AEAERO CC[C@@](C)([C@@H](O)c1ccoc1)[NH+](C)C 85744567 572790638 /nfs/dbraw/zinc/79/06/38/572790638.db2.gz RNHXPVXSRUZCRB-QWRGUYRKSA-N 1 0 197.278 2.043 10 0 AEAERO CC(C)CC[C@@H](C)[N@H+](C)C[C@@H](C)N 308127746 572790656 /nfs/dbraw/zinc/79/06/56/572790656.db2.gz BYGDHBAPQLNSMX-GHMZBOCLSA-N 1 0 186.343 2.090 10 0 AEAERO CC[C@@H]1C[C@@H]1[C@H]([NH3+])C[C@H]1CCCOC1 689567727 572790664 /nfs/dbraw/zinc/79/06/64/572790664.db2.gz VLTATIGOVKCUTA-WISYIIOYSA-N 1 0 197.322 2.177 10 0 AEAERO 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AEAERO Cc1cn(C)c(C2(CC[NH3+])CC2)c1C 75120575 572822465 /nfs/dbraw/zinc/82/24/65/572822465.db2.gz HZBPXSYDIMRMGQ-UHFFFAOYSA-N 1 0 192.306 2.022 10 0 AEAERO Cc1nc(C[C@@H]2CCCC[C@H]2[NH3+])co1 75121768 572822550 /nfs/dbraw/zinc/82/25/50/572822550.db2.gz APPXOFCUXVBYHW-GXSJLCMTSA-N 1 0 194.278 2.043 10 0 AEAERO CO[C@H]1CCC[C@@H]1C(C)(C)CC[NH3+] 308140682 572822561 /nfs/dbraw/zinc/82/25/61/572822561.db2.gz SIAVWYHWQZWZAJ-UWVGGRQHSA-N 1 0 185.311 2.177 10 0 AEAERO Cc1cc([C@]2(C[NH3+])C[C@H]2C)ccc1F 75121054 572822626 /nfs/dbraw/zinc/82/26/26/572822626.db2.gz VBLDQCUNQQVPTQ-SKDRFNHKSA-N 1 0 193.265 2.370 10 0 AEAERO CCC[C@@H]([NH2+]CC)c1ccn(C)c1 85842475 572827110 /nfs/dbraw/zinc/82/71/10/572827110.db2.gz HAVSOMBLUFJBKQ-LLVKDONJSA-N 1 0 180.295 2.476 10 0 AEAERO CC[NH2+][C@H](C1=COCC1)C(C)(C)C 308140272 572822809 /nfs/dbraw/zinc/82/28/09/572822809.db2.gz RXCJLILLWHNZTL-SNVBAGLBSA-N 1 0 183.295 2.315 10 0 AEAERO CCC[N@H+](C)C1CC(C(F)F)C1 307948474 572822759 /nfs/dbraw/zinc/82/27/59/572822759.db2.gz AONCMXPQFXJCSQ-UHFFFAOYSA-N 1 0 177.238 2.372 10 0 AEAERO CO[C@@H]1CCCC[C@@H]1C[C@@H](C)C[NH3+] 308140697 572822858 /nfs/dbraw/zinc/82/28/58/572822858.db2.gz SLFOJDJXGMUTGL-GMTAPVOTSA-N 1 0 185.311 2.177 10 0 AEAERO CC1(C)C[C@]1(C[NH3+])c1cccc(F)c1 75121049 572822866 /nfs/dbraw/zinc/82/28/66/572822866.db2.gz HKHNRXIFUYUMQM-LBPRGKRZSA-N 1 0 193.265 2.452 10 0 AEAERO CC(C)C(C)(C)[NH2+]C[C@H]1CCCO1 308144272 572822953 /nfs/dbraw/zinc/82/29/53/572822953.db2.gz KRHYNJLTYLMDLD-SNVBAGLBSA-N 1 0 185.311 2.190 10 0 AEAERO CCC(CC)[C@H]1CCC[C@@H](C[NH3+])O1 308139738 572822965 /nfs/dbraw/zinc/82/29/65/572822965.db2.gz RJYQRRVTEMLUHE-WDEREUQCSA-N 1 0 185.311 2.319 10 0 AEAERO CCc1cc(O)ccc1[C@@H]([NH3+])CC 71463510 572822981 /nfs/dbraw/zinc/82/29/81/572822981.db2.gz ICSOVIBNNDDWDY-NSHDSACASA-N 1 0 179.263 2.364 10 0 AEAERO CO[C@@H]1CCCC[C@@H]1C[C@H](C)C[NH3+] 308140698 572822986 /nfs/dbraw/zinc/82/29/86/572822986.db2.gz SLFOJDJXGMUTGL-HBNTYKKESA-N 1 0 185.311 2.177 10 0 AEAERO CO[C@@H]1CCCC[C@H]1C[C@H](C)C[NH3+] 308140696 572823037 /nfs/dbraw/zinc/82/30/37/572823037.db2.gz SLFOJDJXGMUTGL-GARJFASQSA-N 1 0 185.311 2.177 10 0 AEAERO Cc1ccc(C)c2c1NCC[C@H]2C[NH3+] 71482164 572827116 /nfs/dbraw/zinc/82/71/16/572827116.db2.gz NCVCWIVPFRUDKC-JTQLQIEISA-N 1 0 190.290 2.161 10 0 AEAERO CCOc1ccc(C[NH3+])c(C)c1C 71456618 572823134 /nfs/dbraw/zinc/82/31/34/572823134.db2.gz DDSQBLNLHIAJJY-UHFFFAOYSA-N 1 0 179.263 2.161 10 0 AEAERO Cc1cc([C@@]2(C[NH3+])C[C@@H]2C)ccc1F 75121053 572823353 /nfs/dbraw/zinc/82/33/53/572823353.db2.gz VBLDQCUNQQVPTQ-JOYOIKCWSA-N 1 0 193.265 2.370 10 0 AEAERO Cn1ccc2sc(C3([NH3+])CC3)cc21 75120530 572823356 /nfs/dbraw/zinc/82/33/56/572823356.db2.gz SWNJPUNMJJZBKQ-UHFFFAOYSA-N 1 0 192.287 2.188 10 0 AEAERO CO[C@@H](C(C)C)[C@H]([NH3+])CCCCF 308140397 572823357 /nfs/dbraw/zinc/82/33/57/572823357.db2.gz KRUUAGAEUGEEQX-ZJUUUORDSA-N 1 0 191.290 2.125 10 0 AEAERO CC1(C)C[C@@]1(C[NH3+])c1cccc(F)c1 75121048 572823407 /nfs/dbraw/zinc/82/34/07/572823407.db2.gz HKHNRXIFUYUMQM-GFCCVEGCSA-N 1 0 193.265 2.452 10 0 AEAERO CCCCn1cccc1[C@@H](C)[NH3+] 85835189 572823447 /nfs/dbraw/zinc/82/34/47/572823447.db2.gz WENJZQCUSNQSST-SECBINFHSA-N 1 0 166.268 2.308 10 0 AEAERO CC[C@H]([NH3+])c1cn(C)c2c1C[C@@H](C)C2 75120548 572823516 /nfs/dbraw/zinc/82/35/16/572823516.db2.gz WUIBLPSOAFQWAQ-KCJUWKMLSA-N 1 0 192.306 2.170 10 0 AEAERO CCC[NH2+][C@@H](C)c1cccn1C 85836393 572823519 /nfs/dbraw/zinc/82/35/19/572823519.db2.gz ZXNQYOYGHDAFBE-VIFPVBQESA-N 1 0 166.268 2.086 10 0 AEAERO CCC[NH2+][C@H](C)c1ccn(COC)c1 85838166 572823599 /nfs/dbraw/zinc/82/35/99/572823599.db2.gz UDRVMPBTJFEFQE-SNVBAGLBSA-N 1 0 196.294 2.153 10 0 AEAERO CO[C@@H]1CCC[C@@H]1[C@H](C)C[C@@H](C)[NH3+] 308139668 572823695 /nfs/dbraw/zinc/82/36/95/572823695.db2.gz RHIOXZHXNFMMCR-GWOFURMSSA-N 1 0 185.311 2.175 10 0 AEAERO CCc1cc(OC)ccc1[C@@H](C)[NH3+] 71463287 572823737 /nfs/dbraw/zinc/82/37/37/572823737.db2.gz YXWSJDZBBXOJIC-MRVPVSSYSA-N 1 0 179.263 2.277 10 0 AEAERO Cc1cc(Cl)c(C)c(CC[NH3+])c1O 71457032 572823775 /nfs/dbraw/zinc/82/37/75/572823775.db2.gz IKPXQXLFQLUODE-UHFFFAOYSA-N 1 0 199.681 2.164 10 0 AEAERO CC[NH2+][C@H](C)c1cccn1COCC 85836242 572823797 /nfs/dbraw/zinc/82/37/97/572823797.db2.gz OYWRATUFKLJDOP-SNVBAGLBSA-N 1 0 196.294 2.153 10 0 AEAERO CC[C@H]([NH3+])c1ccc(O)cc1Cl 71463933 572823940 /nfs/dbraw/zinc/82/39/40/572823940.db2.gz PKZXLXZLQSARPK-VIFPVBQESA-N 1 0 185.654 2.455 10 0 AEAERO Cc1nc(C[C@@H]2CCCC[C@@H]2[NH3+])co1 75121762 572823954 /nfs/dbraw/zinc/82/39/54/572823954.db2.gz APPXOFCUXVBYHW-ONGXEEELSA-N 1 0 194.278 2.043 10 0 AEAERO Cc1cc(O)c(C(C)C)cc1C[NH3+] 71455980 572823959 /nfs/dbraw/zinc/82/39/59/572823959.db2.gz QSYCSXBCKDKZSE-UHFFFAOYSA-N 1 0 179.263 2.283 10 0 AEAERO CC[NH2+][C@H](C)c1ccn(COCC)c1 85838055 572823961 /nfs/dbraw/zinc/82/39/61/572823961.db2.gz LXNPBADYQVRRSE-SNVBAGLBSA-N 1 0 196.294 2.153 10 0 AEAERO CC(C)([NH3+])COCC1(C)CCCC1 308140665 572823964 /nfs/dbraw/zinc/82/39/64/572823964.db2.gz SGRYNQVRBPIBDE-UHFFFAOYSA-N 1 0 185.311 2.321 10 0 AEAERO CCC[NH2+][C@@H](C)c1ccn(COC)c1 85838165 572823966 /nfs/dbraw/zinc/82/39/66/572823966.db2.gz UDRVMPBTJFEFQE-JTQLQIEISA-N 1 0 196.294 2.153 10 0 AEAERO CCC1([C@@H](CCCOC)[NH2+]C)CC1 308139666 572823988 /nfs/dbraw/zinc/82/39/88/572823988.db2.gz KJUIOYKECWNFMK-SNVBAGLBSA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@@H]([NH3+])c1cn(C)c2c1C[C@H](C)C2 75120544 572823989 /nfs/dbraw/zinc/82/39/89/572823989.db2.gz WUIBLPSOAFQWAQ-GZMMTYOYSA-N 1 0 192.306 2.170 10 0 AEAERO CC1([NH2+]C[C@H]2CCCO2)CCCCC1 49933419 572824002 /nfs/dbraw/zinc/82/40/02/572824002.db2.gz ABMWQNPXJXTBSB-LLVKDONJSA-N 1 0 197.322 2.478 10 0 AEAERO CCc1cc(OC)ccc1[C@H](C)[NH3+] 71463288 572824009 /nfs/dbraw/zinc/82/40/09/572824009.db2.gz YXWSJDZBBXOJIC-QMMMGPOBSA-N 1 0 179.263 2.277 10 0 AEAERO C[NH2+][C@@H](C)c1cccn1CC(C)C 85835582 572824049 /nfs/dbraw/zinc/82/40/49/572824049.db2.gz AGUAMZYAFWKEFH-JTQLQIEISA-N 1 0 180.295 2.425 10 0 AEAERO CC(C)SCC[NH2+]CCC(F)F 308139956 572824051 /nfs/dbraw/zinc/82/40/51/572824051.db2.gz GPJLYPKDMPTCSS-UHFFFAOYSA-N 1 0 197.294 2.373 10 0 AEAERO CCOc1cc(C)c(C[NH3+])c(C)c1 71456868 572824127 /nfs/dbraw/zinc/82/41/27/572824127.db2.gz RZXAVQKENGOUES-UHFFFAOYSA-N 1 0 179.263 2.161 10 0 AEAERO CC[NH2+][C@@H](C)c1cccn1COCC 85836240 572824192 /nfs/dbraw/zinc/82/41/92/572824192.db2.gz OYWRATUFKLJDOP-JTQLQIEISA-N 1 0 196.294 2.153 10 0 AEAERO Cc1cc([C@@]2(C[NH3+])C[C@H]2C)ccc1F 75121055 572824232 /nfs/dbraw/zinc/82/42/32/572824232.db2.gz VBLDQCUNQQVPTQ-BXKDBHETSA-N 1 0 193.265 2.370 10 0 AEAERO CC[C@H](C)[NH2+][C@](C)(CO)[C@@H](C)CC 308144358 572824246 /nfs/dbraw/zinc/82/42/46/572824246.db2.gz NAWXZVMMIWCAGU-GARJFASQSA-N 1 0 187.327 2.172 10 0 AEAERO Cc1c(C2([NH3+])CCCC2)cn(C)c1C 75120554 572824252 /nfs/dbraw/zinc/82/42/52/572824252.db2.gz ZRPWIJDFYMEANX-UHFFFAOYSA-N 1 0 192.306 2.370 10 0 AEAERO CCCn1cccc1[C@H](C)[NH2+]C 85835619 572824273 /nfs/dbraw/zinc/82/42/73/572824273.db2.gz VVJCTJJVJHZNGG-VIFPVBQESA-N 1 0 166.268 2.179 10 0 AEAERO CC[C@@H]([NH3+])[C@@H]1CCCc2cn(C)cc21 75120600 572824335 /nfs/dbraw/zinc/82/43/35/572824335.db2.gz LTACDSNKYXOVGF-ZYHUDNBSSA-N 1 0 192.306 2.182 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@@H]1C[C@@H]1CCCOC1 689575118 572827228 /nfs/dbraw/zinc/82/72/28/572827228.db2.gz GDZCKXIFKGZRPZ-GRYCIOLGSA-N 1 0 197.322 2.049 10 0 AEAERO CC[C@H]([NH3+])c1cn(C)c2c1C[C@H](C)C2 75120538 572824468 /nfs/dbraw/zinc/82/44/68/572824468.db2.gz WUIBLPSOAFQWAQ-KWQFWETISA-N 1 0 192.306 2.170 10 0 AEAERO [NH3+][C@@H]1CCCCC[C@@H]1Cc1cocn1 75121785 572824532 /nfs/dbraw/zinc/82/45/32/572824532.db2.gz PDFBEDORPXMOCQ-MWLCHTKSSA-N 1 0 194.278 2.125 10 0 AEAERO [NH3+][C@@H]1CCCCC[C@H]1Cc1cocn1 75121782 572824602 /nfs/dbraw/zinc/82/46/02/572824602.db2.gz PDFBEDORPXMOCQ-GXSJLCMTSA-N 1 0 194.278 2.125 10 0 AEAERO CCCn1cccc1[C@@H](C)[NH2+]C 85835616 572824648 /nfs/dbraw/zinc/82/46/48/572824648.db2.gz VVJCTJJVJHZNGG-SECBINFHSA-N 1 0 166.268 2.179 10 0 AEAERO CC[C@@H](C)[NH2+][C@H](C(F)F)C1CC1 307950647 572824650 /nfs/dbraw/zinc/82/46/50/572824650.db2.gz NUNLMGMUEPHWNX-SVRRBLITSA-N 1 0 177.238 2.418 10 0 AEAERO C[NH2+][C@@H](C)c1ccn(CC(C)C)c1 85837461 572824678 /nfs/dbraw/zinc/82/46/78/572824678.db2.gz SWYPWNCGKYKKHC-JTQLQIEISA-N 1 0 180.295 2.425 10 0 AEAERO CCC[NH2+][C@H](C)c1cccn1C 85836397 572824691 /nfs/dbraw/zinc/82/46/91/572824691.db2.gz ZXNQYOYGHDAFBE-SECBINFHSA-N 1 0 166.268 2.086 10 0 AEAERO Cc1sccc1/C=C\C[NH3+] 393574444 572824733 /nfs/dbraw/zinc/82/47/33/572824733.db2.gz KNNNURIDHFNKBX-IHWYPQMZSA-N 1 0 153.250 2.028 10 0 AEAERO CC[NH2+][C@H](C)c1cccn1CC 85836159 572824745 /nfs/dbraw/zinc/82/47/45/572824745.db2.gz CXYZQDZEYOPEEG-SECBINFHSA-N 1 0 166.268 2.179 10 0 AEAERO CC[C@H](C)[NH2+][C@H](C(F)F)C1CC1 307950648 572824789 /nfs/dbraw/zinc/82/47/89/572824789.db2.gz NUNLMGMUEPHWNX-XPUUQOCRSA-N 1 0 177.238 2.418 10 0 AEAERO CC[C@@H](C)[N@H+](CC)[C@H](C)COC 307950266 572824811 /nfs/dbraw/zinc/82/48/11/572824811.db2.gz NPMPAPOQCVUMMP-NXEZZACHSA-N 1 0 173.300 2.142 10 0 AEAERO CC[C@H](C)[N@H+](CC)[C@@H](C)COC 307950267 572824819 /nfs/dbraw/zinc/82/48/19/572824819.db2.gz NPMPAPOQCVUMMP-UWVGGRQHSA-N 1 0 173.300 2.142 10 0 AEAERO CC(C)(C)OCC1(C[NH3+])CCCC1 308141257 572824904 /nfs/dbraw/zinc/82/49/04/572824904.db2.gz LKFDMWAWBUTOKC-UHFFFAOYSA-N 1 0 185.311 2.321 10 0 AEAERO Cc1ccc2c(c1)[C@H]([NH+](C)C)CCN2 71479979 572824912 /nfs/dbraw/zinc/82/49/12/572824912.db2.gz XPNMJQWYJZGFBB-GFCCVEGCSA-N 1 0 190.290 2.413 10 0 AEAERO C[NH2+][C@H](C)c1ccn(CC(C)C)c1 85837459 572824937 /nfs/dbraw/zinc/82/49/37/572824937.db2.gz SWYPWNCGKYKKHC-SNVBAGLBSA-N 1 0 180.295 2.425 10 0 AEAERO Cc1ccc2c(c1C)NCC[C@@H]2[NH3+] 71480113 572824939 /nfs/dbraw/zinc/82/49/39/572824939.db2.gz AHXRZVKJOMLXRK-JTQLQIEISA-N 1 0 176.263 2.119 10 0 AEAERO Cc1ccc2c(c1)NCC[C@H]2[NH+](C)C 71479934 572825019 /nfs/dbraw/zinc/82/50/19/572825019.db2.gz FEICYVAQFXOKRI-GFCCVEGCSA-N 1 0 190.290 2.413 10 0 AEAERO Cc1cc2c(cc1C)[C@H](C[NH3+])CCN2 71482171 572825226 /nfs/dbraw/zinc/82/52/26/572825226.db2.gz 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71482160 572825427 /nfs/dbraw/zinc/82/54/27/572825427.db2.gz IGCYPVPVHHOEPC-JTQLQIEISA-N 1 0 190.290 2.161 10 0 AEAERO C[NH2+][C@H](C)c1cccn1CC(C)C 85835579 572825446 /nfs/dbraw/zinc/82/54/46/572825446.db2.gz AGUAMZYAFWKEFH-SNVBAGLBSA-N 1 0 180.295 2.425 10 0 AEAERO Cc1ccc2c(c1C)NCC[C@@H]2C[NH3+] 71482157 572825494 /nfs/dbraw/zinc/82/54/94/572825494.db2.gz CFTIEDXAHBCWAW-SNVBAGLBSA-N 1 0 190.290 2.161 10 0 AEAERO Cc1cc(C)c2c(c1)NCC[C@@H]2C[NH3+] 71482167 572825499 /nfs/dbraw/zinc/82/54/99/572825499.db2.gz FWXGTIFKWCIHQI-SNVBAGLBSA-N 1 0 190.290 2.161 10 0 AEAERO CCCCn1cccc1[C@H](C)[NH3+] 85835193 572825528 /nfs/dbraw/zinc/82/55/28/572825528.db2.gz WENJZQCUSNQSST-VIFPVBQESA-N 1 0 166.268 2.308 10 0 AEAERO CC[NH2+][C@@H](C)c1cccn1CC 85836157 572825531 /nfs/dbraw/zinc/82/55/31/572825531.db2.gz CXYZQDZEYOPEEG-VIFPVBQESA-N 1 0 166.268 2.179 10 0 AEAERO [NH3+]CCCCCC1CCC(=O)CC1 238557062 572825654 /nfs/dbraw/zinc/82/56/54/572825654.db2.gz YLWVCDKLIVHOQT-UHFFFAOYSA-N 1 0 183.295 2.265 10 0 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C[NH2+][C@@H](c1ccn(COC)c1)C(C)C 85844074 572827198 /nfs/dbraw/zinc/82/71/98/572827198.db2.gz KFWLITGDPTXOAL-LLVKDONJSA-N 1 0 196.294 2.009 10 0 AEAERO CCCn1ccc([C@H]([NH3+])C2CC2)c1 85845300 572827200 /nfs/dbraw/zinc/82/72/00/572827200.db2.gz IHPXSXHIMUIUGD-LLVKDONJSA-N 1 0 178.279 2.308 10 0 AEAERO CCC[C@H]([NH3+])c1ccn(COCC)c1 85842034 572827220 /nfs/dbraw/zinc/82/72/20/572827220.db2.gz UPGNGVVLILWCPW-NSHDSACASA-N 1 0 196.294 2.282 10 0 AEAERO Cc1cc(C)c2c(c1)NCC[C@H]2C[NH3+] 71482169 572827247 /nfs/dbraw/zinc/82/72/47/572827247.db2.gz FWXGTIFKWCIHQI-JTQLQIEISA-N 1 0 190.290 2.161 10 0 AEAERO [NH3+][C@H]1CC[C@H](O[C@H]2C=CCCC2)CC1 299892396 572827317 /nfs/dbraw/zinc/82/73/17/572827317.db2.gz VMGLUUURFGJSGY-SRVKXCTJSA-N 1 0 195.306 2.382 10 0 AEAERO CCC[N@H+](C)[C@](C)(CN)[C@@H](C)CC 308141708 572827834 /nfs/dbraw/zinc/82/78/34/572827834.db2.gz LNVXJATUYLCVRR-WDEREUQCSA-N 1 0 186.343 2.092 10 0 AEAERO C[C@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)[C@H]1C 299891700 572827836 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AEAERO CC(C)CC(=O)C[C@H]1CCCC[NH2+]1 238121247 572934986 /nfs/dbraw/zinc/93/49/86/572934986.db2.gz GQWRELFYZLEMLI-SNVBAGLBSA-N 1 0 183.295 2.134 10 0 AEAERO CCC[C@H](C)OC[C@@H]1CC[C@@H]([NH3+])C1 308205638 572934987 /nfs/dbraw/zinc/93/49/87/572934987.db2.gz SNMGHUPSEQUWAH-HBNTYKKESA-N 1 0 185.311 2.319 10 0 AEAERO CC(C)CC[C@H]([NH3+])C1(O)CCCCC1 238123002 572935045 /nfs/dbraw/zinc/93/50/45/572935045.db2.gz XSZBOMXCLHWAFD-NSHDSACASA-N 1 0 199.338 2.445 10 0 AEAERO CCCCCO[C@@H]1CCC[C@H]([NH3+])C1 86407274 572935053 /nfs/dbraw/zinc/93/50/53/572935053.db2.gz LHMLEUZLSLCJLC-WDEREUQCSA-N 1 0 185.311 2.463 10 0 AEAERO CC[C@@H]([NH3+])CC1CCC(OC)CC1 686340898 572935086 /nfs/dbraw/zinc/93/50/86/572935086.db2.gz ONJHOLUMIGDNLM-HSOILSAZSA-N 1 0 185.311 2.319 10 0 AEAERO CC[C@H](C)CO[C@H]1CCC[C@H]([NH3+])C1 86407495 572935112 /nfs/dbraw/zinc/93/51/12/572935112.db2.gz PIJJEGMXYQRQET-DCAQKATOSA-N 1 0 185.311 2.319 10 0 AEAERO C[C@@H](Cc1ccco1)[NH2+]CCCF 88024614 572935146 /nfs/dbraw/zinc/93/51/46/572935146.db2.gz YGTBSCKRWGIXKB-VIFPVBQESA-N 1 0 185.242 2.160 10 0 AEAERO CCc1ccc([C@H]([NH3+])[C@@H](O)CC)s1 308205702 572935178 /nfs/dbraw/zinc/93/51/78/572935178.db2.gz SRNBXSFAGLYIPU-WCBMZHEXSA-N 1 0 199.319 2.081 10 0 AEAERO CC(C)(C)CCO[C@H]1CC[C@@H]([NH3+])C1 86405341 572935220 /nfs/dbraw/zinc/93/52/20/572935220.db2.gz BDXYVARUZAXAIT-ZJUUUORDSA-N 1 0 185.311 2.319 10 0 AEAERO CCCCO[C@H]1CCC[C@H]([NH3+])C1 86407042 572935241 /nfs/dbraw/zinc/93/52/41/572935241.db2.gz SOTOKQSAUJZANI-UWVGGRQHSA-N 1 0 171.284 2.073 10 0 AEAERO CCC[C@H](C)OC[C@H]1CC[C@H]([NH3+])C1 308205636 572935292 /nfs/dbraw/zinc/93/52/92/572935292.db2.gz SNMGHUPSEQUWAH-DCAQKATOSA-N 1 0 185.311 2.319 10 0 AEAERO CCC[C@@H]1CC[C@@](C)(C[NH2+]CC)O1 308206488 572935321 /nfs/dbraw/zinc/93/53/21/572935321.db2.gz TYVRZORICBHBGJ-MNOVXSKESA-N 1 0 185.311 2.334 10 0 AEAERO CC[C@](C)(C[NH3+])C[C@H]1CC[C@H](C)O1 299992702 572935362 /nfs/dbraw/zinc/93/53/62/572935362.db2.gz HPYJHWXMNZBPRU-AXFHLTTASA-N 1 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/nfs/dbraw/zinc/93/57/74/572935774.db2.gz SUTHGLNRONHMAD-GHMZBOCLSA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@H](CO)[NH2+]C(C(C)C)C(C)C 308206601 572935783 /nfs/dbraw/zinc/93/57/83/572935783.db2.gz IJIYXKSIUUBKTG-SNVBAGLBSA-N 1 0 187.327 2.028 10 0 AEAERO CC(C)C[C@H](C)[C@H]1CC[C@@H](C[NH3+])O1 308205697 572935788 /nfs/dbraw/zinc/93/57/88/572935788.db2.gz SRLHYJRHEMHSNL-GARJFASQSA-N 1 0 185.311 2.175 10 0 AEAERO C[N@@H+]1C[C@H]2C[C@@]2(c2ccc(F)cc2)C1 255971015 572935799 /nfs/dbraw/zinc/93/57/99/572935799.db2.gz FCEZVCFFFLLXSG-PWSUYJOCSA-N 1 0 191.249 2.029 10 0 AEAERO CCC[C@H](C)OC[C@@H]1CC[C@H]([NH3+])C1 308205635 572935815 /nfs/dbraw/zinc/93/58/15/572935815.db2.gz SNMGHUPSEQUWAH-AXFHLTTASA-N 1 0 185.311 2.319 10 0 AEAERO C=C/C=C\CCC(=O)CC[C@H](C)[NH3+] 713642790 572935950 /nfs/dbraw/zinc/93/59/50/572935950.db2.gz FRFFOOCAESALSZ-LWTINBJPSA-N 1 0 181.279 2.205 10 0 AEAERO C[C@](F)(CCCC[NH3+])C1=CCCO1 308205716 572936170 /nfs/dbraw/zinc/93/61/70/572936170.db2.gz SSSUPJCSRUQKAX-JTQLQIEISA-N 1 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572936632 /nfs/dbraw/zinc/93/66/32/572936632.db2.gz TYVRZORICBHBGJ-QWRGUYRKSA-N 1 0 185.311 2.334 10 0 AEAERO C=C/C=C\CC[N@@H+]1CCC(=O)[C@@H](C)C1 713642645 572936648 /nfs/dbraw/zinc/93/66/48/572936648.db2.gz FFMCYJPTQFLXNV-WYGGZMRJSA-N 1 0 193.290 2.030 10 0 AEAERO C[NH2+][C@H](C)C(=O)CC1(C)CCCC1 308205682 572936712 /nfs/dbraw/zinc/93/67/12/572936712.db2.gz SQMMLOFBPNXOND-SECBINFHSA-N 1 0 183.295 2.134 10 0 AEAERO CC[C@H]1CC[C@@]([NH3+])(COC(C)C)C1 308205572 572936804 /nfs/dbraw/zinc/93/68/04/572936804.db2.gz HMVJMVPJTQTLII-QWRGUYRKSA-N 1 0 185.311 2.319 10 0 AEAERO Cc1cccc2c1[C@H](C[NH3+])C=C2 57935343 572937043 /nfs/dbraw/zinc/93/70/43/572937043.db2.gz XQZLTLXETJVJON-JTQLQIEISA-N 1 0 159.232 2.064 10 0 AEAERO CCc1ccc2c(c1)CC[C@@H]([NH3+])C2 57935859 572936740 /nfs/dbraw/zinc/93/67/40/572936740.db2.gz BGOSWVNRYATXMS-GFCCVEGCSA-N 1 0 175.275 2.065 10 0 AEAERO CC(C)C[C@H](C)[C@H]1CC[C@H](C[NH3+])O1 308205698 572936775 /nfs/dbraw/zinc/93/67/75/572936775.db2.gz SRLHYJRHEMHSNL-HBNTYKKESA-N 1 0 185.311 2.175 10 0 AEAERO Cc1cccc2c1[C@@H]([NH3+])C=C2 57935281 572936777 /nfs/dbraw/zinc/93/67/77/572936777.db2.gz DCAYSWOIMXGKHQ-VIFPVBQESA-N 1 0 145.205 2.022 10 0 AEAERO CCOCC1([NH3+])CCC(CC)CC1 308206727 572936783 /nfs/dbraw/zinc/93/67/83/572936783.db2.gz ZKRLKKABGOYPDZ-UHFFFAOYSA-N 1 0 185.311 2.321 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)C[C@H](N)C1CC1 86437458 572936788 /nfs/dbraw/zinc/93/67/88/572936788.db2.gz BBTHKMGHJZTSQA-PWSUYJOCSA-N 1 0 198.354 2.092 10 0 AEAERO CCc1ccc2c(c1)C=C[C@@H]2[NH3+] 57935347 572936822 /nfs/dbraw/zinc/93/68/22/572936822.db2.gz ZWFPAUPGGWNACW-NSHDSACASA-N 1 0 159.232 2.276 10 0 AEAERO CC[C@H]1CC[C@]([NH3+])(COC(C)C)C1 308205573 572936855 /nfs/dbraw/zinc/93/68/55/572936855.db2.gz HMVJMVPJTQTLII-WDEREUQCSA-N 1 0 185.311 2.319 10 0 AEAERO CCc1ccc2c(c1)CC[C@H]([NH3+])C2 57935856 572936870 /nfs/dbraw/zinc/93/68/70/572936870.db2.gz BGOSWVNRYATXMS-LBPRGKRZSA-N 1 0 175.275 2.065 10 0 AEAERO CC(C)C[C@H](C)[C@@H]1CC[C@@H](C[NH3+])O1 308205696 572936884 /nfs/dbraw/zinc/93/68/84/572936884.db2.gz SRLHYJRHEMHSNL-DCAQKATOSA-N 1 0 185.311 2.175 10 0 AEAERO CCc1ccc([C@@H]([NH3+])[C@H](O)CC)s1 308205701 572936903 /nfs/dbraw/zinc/93/69/03/572936903.db2.gz SRNBXSFAGLYIPU-SCZZXKLOSA-N 1 0 199.319 2.081 10 0 AEAERO CCC[C@H](C)OC[C@H]1CC[C@@H]([NH3+])C1 308205637 572936910 /nfs/dbraw/zinc/93/69/10/572936910.db2.gz SNMGHUPSEQUWAH-GARJFASQSA-N 1 0 185.311 2.319 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)C[C@H](N)CC 86437350 572936954 /nfs/dbraw/zinc/93/69/54/572936954.db2.gz ROBIJOYOJQDCSG-GHMZBOCLSA-N 1 0 186.343 2.092 10 0 AEAERO Cc1ccc2c(c1)C=C[C@@H]2[NH3+] 57935275 572936965 /nfs/dbraw/zinc/93/69/65/572936965.db2.gz CMZMDQAALFACNW-JTQLQIEISA-N 1 0 145.205 2.022 10 0 AEAERO C=C/C=C/CC[N@@H+]1CCC(=O)[C@@H](C)C1 713642649 572937227 /nfs/dbraw/zinc/93/72/27/572937227.db2.gz FFMCYJPTQFLXNV-ZWNMCFTASA-N 1 0 193.290 2.030 10 0 AEAERO CC(C)c1ccc2c(c1)C(=O)C[C@@H]2[NH3+] 57936676 572937284 /nfs/dbraw/zinc/93/72/84/572937284.db2.gz 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572937472 /nfs/dbraw/zinc/93/74/72/572937472.db2.gz PKZCLCKRSTTWNW-JTQLQIEISA-N 1 0 175.275 2.059 10 0 AEAERO Cc1cccc2c1[C@H](CC[NH3+])CC2 57935884 572937486 /nfs/dbraw/zinc/93/74/86/572937486.db2.gz KQWCWFAZNGPNLK-NSHDSACASA-N 1 0 175.275 2.374 10 0 AEAERO CCCCCC[NH2+]CC(C)(C)[NH2+]C 308195910 572937499 /nfs/dbraw/zinc/93/74/99/572937499.db2.gz MNERPDRKESTBMS-UHFFFAOYSA-N 1 0 186.343 2.154 10 0 AEAERO CC(C)CC[C@@H]([NH3+])C1(O)CCCCC1 238114550 572937601 /nfs/dbraw/zinc/93/76/01/572937601.db2.gz XSZBOMXCLHWAFD-LLVKDONJSA-N 1 0 199.338 2.445 10 0 AEAERO CC(C)(C)[NH2+][C@H](CN)c1ccccc1 238112047 572937576 /nfs/dbraw/zinc/93/75/76/572937576.db2.gz OAVPBCSAYJNAOS-LLVKDONJSA-N 1 0 192.306 2.075 10 0 AEAERO Cc1ccc2c(c1)C=C[C@H]2C[NH3+] 57935341 572937615 /nfs/dbraw/zinc/93/76/15/572937615.db2.gz OKPUAWVVZCUALT-JTQLQIEISA-N 1 0 159.232 2.064 10 0 AEAERO CC[C@H](C)C[N@H+](CC)C[C@H](N)CC 86437351 572937670 /nfs/dbraw/zinc/93/76/70/572937670.db2.gz ROBIJOYOJQDCSG-WDEREUQCSA-N 1 0 186.343 2.092 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/nfs/dbraw/zinc/93/82/76/572938276.db2.gz XYFKBIMXTCCYQO-GFCCVEGCSA-N 1 0 173.259 2.146 10 0 AEAERO C=C/C=C\CC[N@@H+]1CCC(=O)[C@H](C)C1 713642641 572938332 /nfs/dbraw/zinc/93/83/32/572938332.db2.gz FFMCYJPTQFLXNV-DOGVGXBMSA-N 1 0 193.290 2.030 10 0 AEAERO C=C/C=C\CCC(=O)CC[C@@H](C)[NH3+] 713642797 572938466 /nfs/dbraw/zinc/93/84/66/572938466.db2.gz FRFFOOCAESALSZ-UMCURTJPSA-N 1 0 181.279 2.205 10 0 AEAERO Cc1ccc2c(c1)C[NH2+]CCC2 57935426 572938357 /nfs/dbraw/zinc/93/83/57/572938357.db2.gz FOONWDPLJQZRAP-UHFFFAOYSA-N 1 0 161.248 2.031 10 0 AEAERO CCc1ccc2c(c1)CC[C@@H](C[NH3+])C2 57936763 572938393 /nfs/dbraw/zinc/93/83/93/572938393.db2.gz DUVPSUAPEGYSRZ-LLVKDONJSA-N 1 0 189.302 2.313 10 0 AEAERO CC[C@H](C)CN(CC)CC[NH2+]C1CC1 86437453 572938417 /nfs/dbraw/zinc/93/84/17/572938417.db2.gz OPZRQNZVOYMYHX-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO Cc1ccc2c(c1)CC[C@H]2CC[NH3+] 57935880 572938640 /nfs/dbraw/zinc/93/86/40/572938640.db2.gz UPTRVDHWFFOHIX-JTQLQIEISA-N 1 0 175.275 2.374 10 0 AEAERO CC(C)OC[C@](C)(F)CCCC[NH3+] 308196292 572938694 /nfs/dbraw/zinc/93/86/94/572938694.db2.gz MUVKDMXIJNSNCG-SNVBAGLBSA-N 1 0 191.290 2.269 10 0 AEAERO Cc1cccc2c1[C@H]([NH3+])C=C2 57935278 572938699 /nfs/dbraw/zinc/93/86/99/572938699.db2.gz DCAYSWOIMXGKHQ-SECBINFHSA-N 1 0 145.205 2.022 10 0 AEAERO CC[NH2+][C@@](C)(CO)CCC(C)(C)C 308196383 572938708 /nfs/dbraw/zinc/93/87/08/572938708.db2.gz RGJVJJKYZLATAR-LLVKDONJSA-N 1 0 187.327 2.173 10 0 AEAERO CC[C@H](C)CN(CC)C[C@@H]1CCC[NH2+]1 86437716 572938766 /nfs/dbraw/zinc/93/87/66/572938766.db2.gz DFNLSPXINQQSAM-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CCc1ccc2c(c1)C=C[C@H]([NH3+])C2 57935730 572938767 /nfs/dbraw/zinc/93/87/67/572938767.db2.gz XYFKBIMXTCCYQO-LBPRGKRZSA-N 1 0 173.259 2.146 10 0 AEAERO CC1(CC(=O)CCC[NH3+])CCCC1 308195883 572938773 /nfs/dbraw/zinc/93/87/73/572938773.db2.gz MLZCVUGKPYGVBJ-UHFFFAOYSA-N 1 0 183.295 2.265 10 0 AEAERO COc1csc(C[NH2+]C2CC2)c1 88028528 572938786 /nfs/dbraw/zinc/93/87/86/572938786.db2.gz DTWGTPIBCHPEDA-UHFFFAOYSA-N 1 0 183.276 2.009 10 0 AEAERO CC[NH2+]Cc1c[nH]nc1C1CCCC1 86442738 572939281 /nfs/dbraw/zinc/93/92/81/572939281.db2.gz FASQIBYJDPPPTO-UHFFFAOYSA-N 1 0 193.294 2.177 10 0 AEAERO CCC[NH2+][C@H](C)[C@@H](C)[C@H]1CCCO1 308196981 572939634 /nfs/dbraw/zinc/93/96/34/572939634.db2.gz NETQSHPZLUCKMD-GMTAPVOTSA-N 1 0 185.311 2.190 10 0 AEAERO CCCNC(=[NH2+])N(CC)C[C@H](C)CC 86440069 572938846 /nfs/dbraw/zinc/93/88/46/572938846.db2.gz WCWZNBNEKWUIGW-SNVBAGLBSA-N 1 0 199.342 2.289 10 0 AEAERO FC(F)[C@H]([NH2+]CCC1CC1)C1CC1 308195998 572938883 /nfs/dbraw/zinc/93/88/83/572938883.db2.gz SGRRTASZPZWJDU-SECBINFHSA-N 1 0 189.249 2.420 10 0 AEAERO CC[C@@H](C)CN(CC)C[C@@H]1CCC[NH2+]1 86437714 572938889 /nfs/dbraw/zinc/93/88/89/572938889.db2.gz DFNLSPXINQQSAM-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO CC[C@@H]1CCC[C@@](C[NH3+])(COC)C1 308196051 572938928 /nfs/dbraw/zinc/93/89/28/572938928.db2.gz QZBLURCCOCXXHH-GHMZBOCLSA-N 1 0 185.311 2.178 10 0 AEAERO CC[C@H](C)CN(CC)C(=[NH2+])NC(C)C 86440076 572938937 /nfs/dbraw/zinc/93/89/37/572938937.db2.gz OEIQWFGRRILJAF-JTQLQIEISA-N 1 0 199.342 2.287 10 0 AEAERO CC[C@@H]1CCC[C@](C[NH3+])(COC)C1 308196053 572938953 /nfs/dbraw/zinc/93/89/53/572938953.db2.gz QZBLURCCOCXXHH-MNOVXSKESA-N 1 0 185.311 2.178 10 0 AEAERO CC[C@H](C)C[N@H+](CC)CCC(C)=O 86438083 572938963 /nfs/dbraw/zinc/93/89/63/572938963.db2.gz BLHWDUNTWHLGQG-JTQLQIEISA-N 1 0 185.311 2.334 10 0 AEAERO CC[C@H]1CCC[C@@](C[NH3+])(COC)C1 308196057 572939010 /nfs/dbraw/zinc/93/90/10/572939010.db2.gz QZBLURCCOCXXHH-WDEREUQCSA-N 1 0 185.311 2.178 10 0 AEAERO CCC[NH2+]C[C@H](O)[C@H](C)C(C)(C)C 308196583 572939042 /nfs/dbraw/zinc/93/90/42/572939042.db2.gz RJNPVAGWNWHCBS-UWVGGRQHSA-N 1 0 187.327 2.029 10 0 AEAERO C[NH2+]CCC(=O)CC1(C)CCCC1 308195930 572939044 /nfs/dbraw/zinc/93/90/44/572939044.db2.gz MOQBWVLVVMGLCR-UHFFFAOYSA-N 1 0 183.295 2.135 10 0 AEAERO CC[C@H](C)CN(CC)[C@@H](CC)C(N)=[NH2+] 86437806 572939054 /nfs/dbraw/zinc/93/90/54/572939054.db2.gz VVSKUELQQGDOOE-UWVGGRQHSA-N 1 0 199.342 2.069 10 0 AEAERO C[NH2+][C@H](C(C)C)[C@H](C)[C@H]1CCCO1 308196735 572940155 /nfs/dbraw/zinc/94/01/55/572940155.db2.gz NCPVSBWHLZKUGQ-GMTAPVOTSA-N 1 0 185.311 2.046 10 0 AEAERO CCC(=O)C[N@@H+](CC)C[C@H](C)CC 86438026 572939127 /nfs/dbraw/zinc/93/91/27/572939127.db2.gz KABKTWJFHDTURS-SNVBAGLBSA-N 1 0 185.311 2.334 10 0 AEAERO CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]2[NH3+] 57937178 572939129 /nfs/dbraw/zinc/93/91/29/572939129.db2.gz HLDABYCHAJHEEH-NEPJUHHUSA-N 1 0 191.274 2.247 10 0 AEAERO CC(C)c1ccc2c(c1)[C@@H](O)C[C@@H]2[NH3+] 57937172 572939185 /nfs/dbraw/zinc/93/91/85/572939185.db2.gz HLDABYCHAJHEEH-RYUDHWBXSA-N 1 0 191.274 2.247 10 0 AEAERO CC[C@@H](C)CN(CC)C(=[NH2+])NC(C)C 86440075 572939194 /nfs/dbraw/zinc/93/91/94/572939194.db2.gz OEIQWFGRRILJAF-SNVBAGLBSA-N 1 0 199.342 2.287 10 0 AEAERO CC[C@H](C)C[N@H+](CC)CC(=O)C1CC1 86438100 572939245 /nfs/dbraw/zinc/93/92/45/572939245.db2.gz ZHIKMMUBYMVPHV-JTQLQIEISA-N 1 0 197.322 2.334 10 0 AEAERO CC(=[NH2+])N(C)CCc1cccs1 86442468 572939377 /nfs/dbraw/zinc/93/93/77/572939377.db2.gz NKKHMLYVPXIVQE-UHFFFAOYSA-N 1 0 182.292 2.220 10 0 AEAERO CCCNC(=[NH2+])N(CC)C[C@@H](C)CC 86440067 572939391 /nfs/dbraw/zinc/93/93/91/572939391.db2.gz WCWZNBNEKWUIGW-JTQLQIEISA-N 1 0 199.342 2.289 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)CC(=O)C1CC1 86438099 572939404 /nfs/dbraw/zinc/93/94/04/572939404.db2.gz ZHIKMMUBYMVPHV-SNVBAGLBSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@@H](C)CN(CC)C(=[NH2+])NC1CC1 86440048 572939444 /nfs/dbraw/zinc/93/94/44/572939444.db2.gz VALFXCPXZNWCHG-SECBINFHSA-N 1 0 197.326 2.041 10 0 AEAERO CC[C@H](C)C[N@H+](CC)[C@@H]1CCCC1=O 86438040 572939451 /nfs/dbraw/zinc/93/94/51/572939451.db2.gz XUVGSRDBULMSLG-WDEREUQCSA-N 1 0 197.322 2.476 10 0 AEAERO CCC(=O)C[N@@H+](CC)C[C@@H](C)CC 86438027 572939459 /nfs/dbraw/zinc/93/94/59/572939459.db2.gz KABKTWJFHDTURS-JTQLQIEISA-N 1 0 185.311 2.334 10 0 AEAERO CC[C@@H](C(N)=[NH2+])N(CC)C[C@H](C)CC 86437804 572939465 /nfs/dbraw/zinc/93/94/65/572939465.db2.gz VVSKUELQQGDOOE-ZJUUUORDSA-N 1 0 199.342 2.069 10 0 AEAERO CC(C)O[C@@H](C[NH3+])[C@@H](C)C(C)(C)C 308197470 572939595 /nfs/dbraw/zinc/93/95/95/572939595.db2.gz SALMNZMYSFHNRC-ZJUUUORDSA-N 1 0 187.327 2.421 10 0 AEAERO CC[C@@H](C)CN(CC)C(C)=[NH2+] 86440535 572939596 /nfs/dbraw/zinc/93/95/96/572939596.db2.gz AOHUNVNXOQLECA-MRVPVSSYSA-N 1 0 156.273 2.352 10 0 AEAERO Cc1cc(C(N)=[NH2+])ccc1NC(C)C 50891559 572939606 /nfs/dbraw/zinc/93/96/06/572939606.db2.gz MOPKSJAZOGCZHE-UHFFFAOYSA-N 1 0 191.278 2.099 10 0 AEAERO C[NH2+][C@H](C(C)C)[C@@H](C)[C@H]1CCCO1 308196947 572939642 /nfs/dbraw/zinc/93/96/42/572939642.db2.gz NCPVSBWHLZKUGQ-HBNTYKKESA-N 1 0 185.311 2.046 10 0 AEAERO CC(C)O[C@@H](C[NH3+])[C@H](C)C(C)(C)C 308197468 572939650 /nfs/dbraw/zinc/93/96/50/572939650.db2.gz SALMNZMYSFHNRC-UWVGGRQHSA-N 1 0 187.327 2.421 10 0 AEAERO CC(C)CCCCSC(N)=[NH2+] 238141155 572939652 /nfs/dbraw/zinc/93/96/52/572939652.db2.gz GVAURWNCRMXTCE-UHFFFAOYSA-N 1 0 174.313 2.439 10 0 AEAERO C[NH2+][C@H]1CCCc2ncn(C(C)C)c21 76088136 572939691 /nfs/dbraw/zinc/93/96/91/572939691.db2.gz OPAIFCXGSRIVCA-VIFPVBQESA-N 1 0 193.294 2.061 10 0 AEAERO CC[C@H](C)CN(CC)C(=[NH2+])NC1CC1 86440049 572939698 /nfs/dbraw/zinc/93/96/98/572939698.db2.gz VALFXCPXZNWCHG-VIFPVBQESA-N 1 0 197.326 2.041 10 0 AEAERO CCC[NH2+][C@H](C)[C@H](C)[C@@H]1CCCO1 308196980 572939703 /nfs/dbraw/zinc/93/97/03/572939703.db2.gz NETQSHPZLUCKMD-AXFHLTTASA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)[C@@H]1CCCC1=O 86438038 572939751 /nfs/dbraw/zinc/93/97/51/572939751.db2.gz XUVGSRDBULMSLG-GHMZBOCLSA-N 1 0 197.322 2.476 10 0 AEAERO COC[C@H](C)C[C@@H]1CCCCC[NH2+]1 88040173 572939808 /nfs/dbraw/zinc/93/98/08/572939808.db2.gz LPFZPIZJQHMOMK-MNOVXSKESA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)C[C@H](O)C1CC1 86438524 572939810 /nfs/dbraw/zinc/93/98/10/572939810.db2.gz DPQNPSAASZDVOF-PWSUYJOCSA-N 1 0 199.338 2.125 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)CCC(C)=O 86438080 572939843 /nfs/dbraw/zinc/93/98/43/572939843.db2.gz BLHWDUNTWHLGQG-SNVBAGLBSA-N 1 0 185.311 2.334 10 0 AEAERO Cc1cc([C@@H]([NH3+])CC(C)C)cnc1N 713785704 572939849 /nfs/dbraw/zinc/93/98/49/572939849.db2.gz DECLKGNCHYDWPW-JTQLQIEISA-N 1 0 193.294 2.018 10 0 AEAERO CC[C@H](C)C[N@H+](CC)[C@@H](C)[C@@H](C)N 86437493 572939861 /nfs/dbraw/zinc/93/98/61/572939861.db2.gz VBCOQVBQTXOPCV-AXFHLTTASA-N 1 0 186.343 2.090 10 0 AEAERO C[NH2+][C@H](C(C)C)[C@H](C)[C@@H]1CCCO1 308196948 572939862 /nfs/dbraw/zinc/93/98/62/572939862.db2.gz NCPVSBWHLZKUGQ-OUAUKWLOSA-N 1 0 185.311 2.046 10 0 AEAERO CC[C@H](C)C[N@H+](CC)C[C@H](O)C1CC1 86438526 572939907 /nfs/dbraw/zinc/93/99/07/572939907.db2.gz DPQNPSAASZDVOF-JQWIXIFHSA-N 1 0 199.338 2.125 10 0 AEAERO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(C)=O 86438019 572939916 /nfs/dbraw/zinc/93/99/16/572939916.db2.gz LDVUHNWSWAJVSY-ZJUUUORDSA-N 1 0 185.311 2.332 10 0 AEAERO Cc1cc([C@H]([NH3+])CC(C)C)cnc1N 713785709 572940017 /nfs/dbraw/zinc/94/00/17/572940017.db2.gz DECLKGNCHYDWPW-SNVBAGLBSA-N 1 0 193.294 2.018 10 0 AEAERO CCCOCC[C@@H]1CCCCC[NH2+]1 88040207 572940036 /nfs/dbraw/zinc/94/00/36/572940036.db2.gz AHHPADXZULVXOP-NSHDSACASA-N 1 0 185.311 2.335 10 0 AEAERO CCc1c(C[NH3+])ccn1CC(C)C 308197140 572940062 /nfs/dbraw/zinc/94/00/62/572940062.db2.gz NHZOBRLJAJTPDY-UHFFFAOYSA-N 1 0 180.295 2.165 10 0 AEAERO CCC[N@H+](C)C[C@@H](O)C(C)(C)CC 308197439 572940159 /nfs/dbraw/zinc/94/01/59/572940159.db2.gz NQFADJWCRKWYJF-SNVBAGLBSA-N 1 0 187.327 2.125 10 0 AEAERO CC(=O)CC[N@@H+]1C[C@H]2CCCCC[C@H]21 687935459 572940127 /nfs/dbraw/zinc/94/01/27/572940127.db2.gz PYGLKKXKVGNDIC-VXGBXAGGSA-N 1 0 195.306 2.230 10 0 AEAERO COC[C@@H](C)C[C@H]1CCCCC[NH2+]1 88040175 572940298 /nfs/dbraw/zinc/94/02/98/572940298.db2.gz LPFZPIZJQHMOMK-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO C[C@@H](C[NH2+]C(C)(C)C)[C@@H]1CCCO1 308196998 572940312 /nfs/dbraw/zinc/94/03/12/572940312.db2.gz NFOJWBIUEMREKC-UWVGGRQHSA-N 1 0 185.311 2.190 10 0 AEAERO COC[C@H](C)C[C@H]1CCCCC[NH2+]1 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/nfs/dbraw/zinc/01/71/04/573017104.db2.gz BMGVJSHLHKGIRS-GHMZBOCLSA-N 1 0 161.248 2.200 10 0 AEAERO CCCCC[N@@H+]1CCOCC[C@@H]1C 308223427 573017106 /nfs/dbraw/zinc/01/71/06/573017106.db2.gz MERRROXGAWDRKQ-NSHDSACASA-N 1 0 185.311 2.287 10 0 AEAERO CCOc1ccccc1[C@H]1CC[C@@H]1[NH3+] 87935715 573017112 /nfs/dbraw/zinc/01/71/12/573017112.db2.gz XKHHRPPMIOVGFZ-KOLCDFICSA-N 1 0 191.274 2.290 10 0 AEAERO NNc1ccc2c([nH+]1)CCCCCC2 104568909 573017168 /nfs/dbraw/zinc/01/71/68/573017168.db2.gz SSRXWOXTRGMNHW-UHFFFAOYSA-N 1 0 191.278 2.026 10 0 AEAERO Cc1cnccc1-c1cccnc1N 85424550 573017256 /nfs/dbraw/zinc/01/72/56/573017256.db2.gz VYVJQRPHJPMAQV-UHFFFAOYSA-N 1 0 185.230 2.034 10 0 AEAERO CCC[C@H](C)[C@H](C)C[NH3+] 87938108 573017270 /nfs/dbraw/zinc/01/72/70/573017270.db2.gz BFALYJCUEITKAW-JGVFFNPUSA-N 1 0 129.247 2.017 10 0 AEAERO CCC[C@@H](C)[C@H](C)C[NH3+] 87938106 573017574 /nfs/dbraw/zinc/01/75/74/573017574.db2.gz BFALYJCUEITKAW-HTQZYQBOSA-N 1 0 129.247 2.017 10 0 AEAERO CCN(CC(C)C)CC1([NH2+]C)CCC1 308475825 573017515 /nfs/dbraw/zinc/01/75/15/573017515.db2.gz JLEQSHICWPYKEB-UHFFFAOYSA-N 1 0 198.354 2.106 10 0 AEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccnc2)C1 87936080 573017560 /nfs/dbraw/zinc/01/75/60/573017560.db2.gz HSPZRDIAFDZQTP-ADEWGFFLSA-N 1 0 190.290 2.313 10 0 AEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccnc2)C1 87936078 573017618 /nfs/dbraw/zinc/01/76/18/573017618.db2.gz HSPZRDIAFDZQTP-USWWRNFRSA-N 1 0 190.290 2.313 10 0 AEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C2CC2)C1 87936052 573017671 /nfs/dbraw/zinc/01/76/71/573017671.db2.gz KMWWSFONPGOQFX-FKTZTGRPSA-N 1 0 153.269 2.160 10 0 AEAERO C[C@@H](CC[NH3+])[C@@H]1CCOC2(CCC2)C1 87937199 573017667 /nfs/dbraw/zinc/01/76/67/573017667.db2.gz SHWJHHJRUAXSEM-WDEREUQCSA-N 1 0 197.322 2.321 10 0 AEAERO CC(C)[N@@H+]1CCC[C@H](C/C=C\CO)C1 258223990 573017848 /nfs/dbraw/zinc/01/78/48/573017848.db2.gz PCPXZIAAOZOABB-MVZIDQBPSA-N 1 0 197.322 2.045 10 0 AEAERO CC(C)[C@H](C[NH3+])COc1ccccc1 258223291 573017868 /nfs/dbraw/zinc/01/78/68/573017868.db2.gz QYERUKHQKWRLGC-LLVKDONJSA-N 1 0 193.290 2.296 10 0 AEAERO [NH3+][C@H]1CC[C@H]1c1c(F)cccc1F 87935646 573017886 /nfs/dbraw/zinc/01/78/86/573017886.db2.gz GDMNAHPHGGHIRV-MUWHJKNJSA-N 1 0 183.201 2.170 10 0 AEAERO c1ccc2c(c1)C[C@H]1[C@@H]2[C@@H]1[NH2+]C1CCC1 308837873 573017902 /nfs/dbraw/zinc/01/79/02/573017902.db2.gz IWYQUXLHNSQNJN-BFHYXJOUSA-N 1 0 199.297 2.467 10 0 AEAERO Cc1ccccc1C[C@@H]1CC[C@@H]1[NH3+] 87935666 573017935 /nfs/dbraw/zinc/01/79/35/573017935.db2.gz VJCFXQHOQYLRGT-RYUDHWBXSA-N 1 0 175.275 2.275 10 0 AEAERO CCCC[C@@H](C)CC[NH3+] 87936990 573017965 /nfs/dbraw/zinc/01/79/65/573017965.db2.gz GZBNXCDIZIXEAJ-MRVPVSSYSA-N 1 0 129.247 2.162 10 0 AEAERO Cc1ccccc1C[C@H]1CC[C@H]1[NH3+] 87935669 573017981 /nfs/dbraw/zinc/01/79/81/573017981.db2.gz VJCFXQHOQYLRGT-VXGBXAGGSA-N 1 0 175.275 2.275 10 0 AEAERO CCCC[N@H+](C)[C@H]1CCC[C@]1(C)O 308227282 573017984 /nfs/dbraw/zinc/01/79/84/573017984.db2.gz RFLPQBSKRKULMG-QWRGUYRKSA-N 1 0 185.311 2.022 10 0 AEAERO Cc1ccncc1[C@@H]1CCC[C@H]1C[NH3+] 87939351 573017990 /nfs/dbraw/zinc/01/79/90/573017990.db2.gz OUGWKJJAWCVAFQ-WDEREUQCSA-N 1 0 190.290 2.232 10 0 AEAERO CC(C)([NH3+])c1nc2cc(F)ccc2o1 82387530 573018019 /nfs/dbraw/zinc/01/80/19/573018019.db2.gz NUPMQCBEHNNFDU-UHFFFAOYSA-N 1 0 194.209 2.161 10 0 AEAERO [NH3+][C@@H]1CC[C@H]1c1c(F)cccc1F 87935648 573018030 /nfs/dbraw/zinc/01/80/30/573018030.db2.gz GDMNAHPHGGHIRV-HZGVNTEJSA-N 1 0 183.201 2.170 10 0 AEAERO CC(C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 87935956 573018038 /nfs/dbraw/zinc/01/80/38/573018038.db2.gz FEMKLRRVXFFCMB-KXUCPTDWSA-N 1 0 155.285 2.406 10 0 AEAERO CCOC[C@H]1CC(C)(C)CC[C@H]1[NH3+] 87936689 573018083 /nfs/dbraw/zinc/01/80/83/573018083.db2.gz GFIRKCJBNSWZNX-NXEZZACHSA-N 1 0 185.311 2.177 10 0 AEAERO CC1(C)C[C@]2(C)C[C@H]1C[C@@H]2[NH3+] 238254205 573018099 /nfs/dbraw/zinc/01/80/99/573018099.db2.gz USJJWUREJFYOIX-WEDXCCLWSA-N 1 0 153.269 2.160 10 0 AEAERO CCC[C@@H](C)[C@@H](C)C[NH3+] 87938103 573018141 /nfs/dbraw/zinc/01/81/41/573018141.db2.gz BFALYJCUEITKAW-SFYZADRCSA-N 1 0 129.247 2.017 10 0 AEAERO CC[C@@]1(C[C@@H]2CCCCO2)CCC[NH2+]1 258225782 573018143 /nfs/dbraw/zinc/01/81/43/573018143.db2.gz PDXOJUPYZRIVEY-RYUDHWBXSA-N 1 0 197.322 2.478 10 0 AEAERO C[C@@H](CC[NH3+])Cc1ccsc1 87937126 573018200 /nfs/dbraw/zinc/01/82/00/573018200.db2.gz FLEBTZLOGJBYJC-QMMMGPOBSA-N 1 0 169.293 2.276 10 0 AEAERO CC(C)[C@H]1CCC[C@H]1C[NH3+] 87939279 573018291 /nfs/dbraw/zinc/01/82/91/573018291.db2.gz GVQJRUQJWGNPPT-DTWKUNHWSA-N 1 0 141.258 2.017 10 0 AEAERO CC1(C)CC[C@H]([NH3+])C1(C)C 104569400 573018360 /nfs/dbraw/zinc/01/83/60/573018360.db2.gz GXXZGKSEHGZXED-ZETCQYMHSA-N 1 0 141.258 2.160 10 0 AEAERO Nc1[nH+]ccc2c1[nH]c1cccc(O)c12 258226277 573018377 /nfs/dbraw/zinc/01/83/77/573018377.db2.gz ZBLSQXRDBDPTGV-UHFFFAOYSA-N 1 0 199.213 2.004 10 0 AEAERO c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCC3)[C@H]21 308837878 573018385 /nfs/dbraw/zinc/01/83/85/573018385.db2.gz IWYQUXLHNSQNJN-MJBXVCDLSA-N 1 0 199.297 2.467 10 0 AEAERO C[C@H](CC[NH3+])Cc1cccs1 87936945 573018400 /nfs/dbraw/zinc/01/84/00/573018400.db2.gz PWCCOWMGASYFJY-MRVPVSSYSA-N 1 0 169.293 2.276 10 0 AEAERO CC(C)[NH2+]Cc1ccc(F)c(O)c1 258223612 573018405 /nfs/dbraw/zinc/01/84/05/573018405.db2.gz XWNFNPIBRPUGPN-UHFFFAOYSA-N 1 0 183.226 2.029 10 0 AEAERO C[C@@H]1CSc2cccc(C[NH3+])c2N1 259311310 573018418 /nfs/dbraw/zinc/01/84/18/573018418.db2.gz RIYJXOAKIPACLJ-SSDOTTSWSA-N 1 0 194.303 2.051 10 0 AEAERO [NH3+][C@H]1CC[C@@H]1c1c(F)cccc1F 87935647 573018428 /nfs/dbraw/zinc/01/84/28/573018428.db2.gz GDMNAHPHGGHIRV-RCOVLWMOSA-N 1 0 183.201 2.170 10 0 AEAERO CC[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 306997269 573018468 /nfs/dbraw/zinc/01/84/68/573018468.db2.gz VQDADDMRDBLIJQ-PSASIEDQSA-N 1 0 193.294 2.175 10 0 AEAERO C[C@H](CC[NH3+])Cc1ccsc1 87937127 573019033 /nfs/dbraw/zinc/01/90/33/573019033.db2.gz FLEBTZLOGJBYJC-MRVPVSSYSA-N 1 0 169.293 2.276 10 0 AEAERO CCOC[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 87936686 573018588 /nfs/dbraw/zinc/01/85/88/573018588.db2.gz GFIRKCJBNSWZNX-UWVGGRQHSA-N 1 0 185.311 2.177 10 0 AEAERO CC[C@@]1(C[C@H]2CCCCO2)CCC[NH2+]1 258225776 573018648 /nfs/dbraw/zinc/01/86/48/573018648.db2.gz PDXOJUPYZRIVEY-NEPJUHHUSA-N 1 0 197.322 2.478 10 0 AEAERO CC(C)[C@@H](C[NH3+])COc1ccccc1 258223293 573018670 /nfs/dbraw/zinc/01/86/70/573018670.db2.gz QYERUKHQKWRLGC-NSHDSACASA-N 1 0 193.290 2.296 10 0 AEAERO C[C@H](CC[NH3+])[C@H]1CCOC2(CCC2)C1 87937202 573018696 /nfs/dbraw/zinc/01/86/96/573018696.db2.gz SHWJHHJRUAXSEM-MNOVXSKESA-N 1 0 197.322 2.321 10 0 AEAERO Cc1ccncc1[C@H]1CCC[C@@H]1C[NH3+] 87939349 573018712 /nfs/dbraw/zinc/01/87/12/573018712.db2.gz OUGWKJJAWCVAFQ-MNOVXSKESA-N 1 0 190.290 2.232 10 0 AEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C2CC2)C1 87936050 573018736 /nfs/dbraw/zinc/01/87/36/573018736.db2.gz KMWWSFONPGOQFX-JEZHCXPESA-N 1 0 153.269 2.160 10 0 AEAERO CC(C)C[C@@H](C)[C@@H](C)C[NH3+] 87937849 573018768 /nfs/dbraw/zinc/01/87/68/573018768.db2.gz VKSBEHRZHAKGFW-BDAKNGLRSA-N 1 0 143.274 2.263 10 0 AEAERO C[C@H](C[NH3+])[C@@H](C)c1ccsc1 87937827 573018787 /nfs/dbraw/zinc/01/87/87/573018787.db2.gz AJWZECLEKZCJSF-HTQZYQBOSA-N 1 0 169.293 2.446 10 0 AEAERO [NH3+][C@H]1CC[C@H]1Cc1ccc(F)cc1F 87935614 573018889 /nfs/dbraw/zinc/01/88/89/573018889.db2.gz PORWORPQFUWIFX-KWQFWETISA-N 1 0 197.228 2.245 10 0 AEAERO COC[C@@H]1C[C@H](C(C)C)CC[C@H]1[NH3+] 87936484 573018988 /nfs/dbraw/zinc/01/89/88/573018988.db2.gz OLVFVSGOCALCFY-OUAUKWLOSA-N 1 0 185.311 2.032 10 0 AEAERO [NH3+][C@@H]1CC[C@H]1Cc1ccncc1Cl 87935752 573018955 /nfs/dbraw/zinc/01/89/55/573018955.db2.gz WWKVPVCXRQGPCY-WCBMZHEXSA-N 1 0 196.681 2.015 10 0 AEAERO Cc1ccc([C@@H](C)[C@H](C)C[NH3+])cn1 87938408 573018962 /nfs/dbraw/zinc/01/89/62/573018962.db2.gz ZGQNMQFCIJRREI-SCZZXKLOSA-N 1 0 178.279 2.088 10 0 AEAERO CC[C@H](C)C[C@H](C)CC[NH3+] 87937123 573018980 /nfs/dbraw/zinc/01/89/80/573018980.db2.gz RUXUALFPSQABQX-DTWKUNHWSA-N 1 0 143.274 2.408 10 0 AEAERO COC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1[NH3+] 87936565 573019781 /nfs/dbraw/zinc/01/97/81/573019781.db2.gz ATPVMUKDGOEVGN-GARJFASQSA-N 1 0 199.338 2.423 10 0 AEAERO CC(C)OC[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 87935812 573019194 /nfs/dbraw/zinc/01/91/94/573019194.db2.gz HFZIXWJKZXDFFT-OUAUKWLOSA-N 1 0 185.311 2.175 10 0 AEAERO CNC(=[NH2+])c1ccc(C)c(C)c1C 259312486 573019221 /nfs/dbraw/zinc/01/92/21/573019221.db2.gz SZMIOZQJVDJXOH-UHFFFAOYSA-N 1 0 176.263 2.157 10 0 AEAERO CC[C@H](C)[C@H](C)[C@@H](C)C[NH3+] 87938870 573019349 /nfs/dbraw/zinc/01/93/49/573019349.db2.gz ONAUVYZMJPQYIU-CIUDSAMLSA-N 1 0 143.274 2.263 10 0 AEAERO CC(C)(CC[NH3+])c1cccc(F)c1 87937257 573019301 /nfs/dbraw/zinc/01/93/01/573019301.db2.gz KSJOQUPWFWKXBF-UHFFFAOYSA-N 1 0 181.254 2.452 10 0 AEAERO COC[C@@H]1C[C@@H](C(C)C)CC[C@H]1[NH3+] 87936485 573019311 /nfs/dbraw/zinc/01/93/11/573019311.db2.gz OLVFVSGOCALCFY-GARJFASQSA-N 1 0 185.311 2.032 10 0 AEAERO CCC(CC)[C@H](C)CC[NH3+] 87937109 573019340 /nfs/dbraw/zinc/01/93/40/573019340.db2.gz HSVVGZSRJCZDSG-MRVPVSSYSA-N 1 0 143.274 2.408 10 0 AEAERO CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 308484037 573019342 /nfs/dbraw/zinc/01/93/42/573019342.db2.gz IJSWMMKVELKMNN-SDDRHHMPSA-N 1 0 199.338 2.173 10 0 AEAERO CO[C@](C)(CNC(=[NH2+])C(C)C)C1CC1 308485016 573019419 /nfs/dbraw/zinc/01/94/19/573019419.db2.gz NAAIYMSGGSJKMA-LLVKDONJSA-N 1 0 198.310 2.024 10 0 AEAERO [NH3+][C@@H]1CC[C@@H]1c1c(F)cccc1F 87935649 573019431 /nfs/dbraw/zinc/01/94/31/573019431.db2.gz GDMNAHPHGGHIRV-IMTBSYHQSA-N 1 0 183.201 2.170 10 0 AEAERO CC[C@@H](C)[NH2+][C@H](CC)c1cn[nH]c1 308484817 573019444 /nfs/dbraw/zinc/01/94/44/573019444.db2.gz OPVKZCFZFHOQRC-PSASIEDQSA-N 1 0 181.283 2.249 10 0 AEAERO Cc1ccc(C(C)(C)CC[NH3+])cn1 87937332 573019468 /nfs/dbraw/zinc/01/94/68/573019468.db2.gz HYIFWUDDIWHOKO-UHFFFAOYSA-N 1 0 178.279 2.016 10 0 AEAERO [NH3+][C@@H]1CC[C@@H]1c1ccc(F)c(F)c1 87935601 573019899 /nfs/dbraw/zinc/01/98/99/573019899.db2.gz WSTGXZAUUOJPIS-GMSGAONNSA-N 1 0 183.201 2.170 10 0 AEAERO CC(C)[C@@H]1CCC[C@H]1C[NH3+] 87939277 573019509 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165.236 2.122 10 0 AEAERO [NH3+]C[C@@H]1CC=C2CCC[C@H]2C1 113689750 573022353 /nfs/dbraw/zinc/02/23/53/573022353.db2.gz HZENCZQVMIAGRV-SCZZXKLOSA-N 1 0 151.253 2.082 10 0 AEAERO CC1=C[C@@H]([NH3+])c2ccccc2N1C 113685104 573022370 /nfs/dbraw/zinc/02/23/70/573022370.db2.gz DTMSHWHGEALQPM-SNVBAGLBSA-N 1 0 174.247 2.040 10 0 AEAERO CCCCN(CC)CC1([NH2+]C)CCC1 308483227 573022380 /nfs/dbraw/zinc/02/23/80/573022380.db2.gz MLCIWOFIBBAPGK-UHFFFAOYSA-N 1 0 198.354 2.251 10 0 AEAERO [NH3+]C[C@H]1CC[C@@H]1c1ccc(F)cc1F 87942510 573022388 /nfs/dbraw/zinc/02/23/88/573022388.db2.gz MYESXQPVGVNKRA-APPZFPTMSA-N 1 0 197.228 2.417 10 0 AEAERO CC[C@H](C)[NH2+][C@H](CC)c1cn[nH]c1 308484819 573022399 /nfs/dbraw/zinc/02/23/99/573022399.db2.gz OPVKZCFZFHOQRC-WCBMZHEXSA-N 1 0 181.283 2.249 10 0 AEAERO CC(C)C[C@@H]1CC[C@@H]1C[NH3+] 87942162 573022446 /nfs/dbraw/zinc/02/24/46/573022446.db2.gz VKIKKMWOJNGLNZ-DTWKUNHWSA-N 1 0 141.258 2.017 10 0 AEAERO CC(C)C[C@@H]1CCC[C@H]1C[NH3+] 87939506 573022458 /nfs/dbraw/zinc/02/24/58/573022458.db2.gz QGKAKNYDHUWMRJ-UWVGGRQHSA-N 1 0 155.285 2.408 10 0 AEAERO Cc1ccccc1[C@@H]1CC[C@H]1C[NH3+] 87942700 573022465 /nfs/dbraw/zinc/02/24/65/573022465.db2.gz LFPWPARTCIILHZ-CMPLNLGQSA-N 1 0 175.275 2.447 10 0 AEAERO COc1ccc2c(c1)[C@H](C)C[C@H]2[NH3+] 113690175 573022494 /nfs/dbraw/zinc/02/24/94/573022494.db2.gz RSHCZMJZVINKDV-RDDDGLTNSA-N 1 0 177.247 2.202 10 0 AEAERO [NH2+]=C(C(C1CC1)C1CC1)N1CCCC1 308483937 573022501 /nfs/dbraw/zinc/02/25/01/573022501.db2.gz OAGVMLGEZXYASK-UHFFFAOYSA-N 1 0 192.306 2.496 10 0 AEAERO COc1ccc2c(c1)C(C)=C[C@H]2[NH3+] 113689586 573022510 /nfs/dbraw/zinc/02/25/10/573022510.db2.gz WPHJFFXALZUUDO-LLVKDONJSA-N 1 0 175.231 2.112 10 0 AEAERO CC(C)[N@@H+]1CCC=C(CC(C)(C)O)C1 257924460 573022513 /nfs/dbraw/zinc/02/25/13/573022513.db2.gz CGUBPZZLIHXXGJ-UHFFFAOYSA-N 1 0 197.322 2.188 10 0 AEAERO CC[C@H]([NH3+])c1cc(O)ccc1C 104575368 573022524 /nfs/dbraw/zinc/02/25/24/573022524.db2.gz BVJDAMLAJZDFSU-JTQLQIEISA-N 1 0 165.236 2.110 10 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/nfs/dbraw/zinc/02/26/24/573022624.db2.gz JUFWATPLYOCYIT-UWVGGRQHSA-N 1 0 191.274 2.148 10 0 AEAERO COc1ccccc1[C@H]1CC[C@@H]1C[NH3+] 87942525 573022633 /nfs/dbraw/zinc/02/26/33/573022633.db2.gz JUFWATPLYOCYIT-ZJUUUORDSA-N 1 0 191.274 2.148 10 0 AEAERO CC[N@H+](CC1CC1)[C@H]1CCC[C@]1(C)O 308484366 573022665 /nfs/dbraw/zinc/02/26/65/573022665.db2.gz KTAXPCNFCBXPHS-RYUDHWBXSA-N 1 0 197.322 2.022 10 0 AEAERO Cc1nc([C@H]([NH3+])CC2CC2)cs1 82394975 573022681 /nfs/dbraw/zinc/02/26/81/573022681.db2.gz ZOHXICFJJLSJBF-MRVPVSSYSA-N 1 0 182.292 2.251 10 0 AEAERO [NH3+]C[C@@H]1CC[C@H]1Cc1cccc(F)c1 87942006 573022691 /nfs/dbraw/zinc/02/26/91/573022691.db2.gz ZAIXMBRVYXAKSZ-QWRGUYRKSA-N 1 0 193.265 2.353 10 0 AEAERO CC(C)[C@H]([NH3+])c1ccc(F)cc1N 104575547 573022722 /nfs/dbraw/zinc/02/27/22/573022722.db2.gz KGAGRQVDBJIROT-JTQLQIEISA-N 1 0 182.242 2.064 10 0 AEAERO CC(C)[C@@H]([NH3+])c1ccc(F)cc1N 104575550 573022730 /nfs/dbraw/zinc/02/27/30/573022730.db2.gz KGAGRQVDBJIROT-SNVBAGLBSA-N 1 0 182.242 2.064 10 0 AEAERO CCC[C@H]([NH3+])c1cc(N)ccc1F 104573238 573022736 /nfs/dbraw/zinc/02/27/36/573022736.db2.gz ZIYUQTJPPVOEDO-JTQLQIEISA-N 1 0 182.242 2.208 10 0 AEAERO CC[C@H](C)CNc1[nH+]cc(C)cc1N 85425818 573022742 /nfs/dbraw/zinc/02/27/42/573022742.db2.gz ZCWWOMSLMXMAHX-QMMMGPOBSA-N 1 0 193.294 2.430 10 0 AEAERO CSc1ccccc1[C@H]1CC[NH2+]1 104574197 573022746 /nfs/dbraw/zinc/02/27/46/573022746.db2.gz GVYGPLDGPZEEKS-SECBINFHSA-N 1 0 179.288 2.443 10 0 AEAERO [NH3+]C[C@@H]1CC[C@H]1c1ccc(F)cc1 87942482 573022754 /nfs/dbraw/zinc/02/27/54/573022754.db2.gz MTCZNECDKUINOU-ONGXEEELSA-N 1 0 179.238 2.278 10 0 AEAERO Cc1c(F)cc(F)cc1[C@H]1CC[NH2+]1 104573061 573022793 /nfs/dbraw/zinc/02/27/93/573022793.db2.gz XYNBAQUPFMVLCG-SNVBAGLBSA-N 1 0 183.201 2.308 10 0 AEAERO CC1=C[C@H]([NH3+])c2cc(C)ccc2N1C 113685114 573022836 /nfs/dbraw/zinc/02/28/36/573022836.db2.gz DZJLNAUAEULBSN-NSHDSACASA-N 1 0 188.274 2.348 10 0 AEAERO CCCC[C@H]1CC[C@H]1C[NH3+] 87942453 573022848 /nfs/dbraw/zinc/02/28/48/573022848.db2.gz 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85425815 573022963 /nfs/dbraw/zinc/02/29/63/573022963.db2.gz ZCWWOMSLMXMAHX-MRVPVSSYSA-N 1 0 193.294 2.430 10 0 AEAERO [NH3+]C[C@H]1CC[C@@H]1C1CCCC1 87942013 573022974 /nfs/dbraw/zinc/02/29/74/573022974.db2.gz WXGWDKVSABHUEY-NXEZZACHSA-N 1 0 153.269 2.162 10 0 AEAERO [NH3+]C[C@@H]1CC[C@H]1Cc1ccccc1F 87942420 573022984 /nfs/dbraw/zinc/02/29/84/573022984.db2.gz UVMLGSHNMZUGNE-ONGXEEELSA-N 1 0 193.265 2.353 10 0 AEAERO CC[C@H](C)[C@H]1CC[C@@H]1C[NH3+] 87943288 573022993 /nfs/dbraw/zinc/02/29/93/573022993.db2.gz HVGNALUDJNHDON-DJLDLDEBSA-N 1 0 141.258 2.017 10 0 AEAERO [NH3+]C[C@@H]1CC[C@H]1Cc1ccccc1 87941868 573022998 /nfs/dbraw/zinc/02/29/98/573022998.db2.gz WFEZGSDIVMVJLV-RYUDHWBXSA-N 1 0 175.275 2.214 10 0 AEAERO [NH3+]C[C@H]1CC[C@@H]1c1ccccc1F 87941955 573023528 /nfs/dbraw/zinc/02/35/28/573023528.db2.gz JOXBNBFKNHJHOI-BDAKNGLRSA-N 1 0 179.238 2.278 10 0 AEAERO [NH3+]C[C@@H]1CC[C@@H]1C1CCCC1 87942017 573023542 /nfs/dbraw/zinc/02/35/42/573023542.db2.gz WXGWDKVSABHUEY-VHSXEESVSA-N 1 0 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SYXSJCJRPVFYIA-JTQLQIEISA-N 1 0 183.226 2.012 10 0 AEAERO CC[C@@H](C)[C@H](C)[N@@H+]1CCN[C@@H](C)CC1 49662397 573032851 /nfs/dbraw/zinc/03/28/51/573032851.db2.gz NFYIRWRPSAAALV-WOPDTQHZSA-N 1 0 198.354 2.105 10 0 AEAERO CCCCC[N@@H+]1CC[NH2+][C@H](CC)CC1 49661080 573032876 /nfs/dbraw/zinc/03/28/76/573032876.db2.gz PFIBTOJGWFJUJT-GFCCVEGCSA-N 1 0 198.354 2.251 10 0 AEAERO CC(C)[C@H]([NH3+])c1ccc(F)c(N)c1 104580196 573032879 /nfs/dbraw/zinc/03/28/79/573032879.db2.gz JFXJZBDCMPPTOP-JTQLQIEISA-N 1 0 182.242 2.064 10 0 AEAERO C/C=C(\C)[C@@H](C)[NH2+]C(C)C 211930364 573032883 /nfs/dbraw/zinc/03/28/83/573032883.db2.gz JJJJNPWFGGXFSQ-BNICOGTQSA-N 1 0 141.258 2.339 10 0 AEAERO C[NH2+][C@H](c1cnccc1C)[C@H]1C[C@@H]1C 85441806 573032884 /nfs/dbraw/zinc/03/28/84/573032884.db2.gz CKVSUJVYAYCQNK-NHCYSSNCSA-N 1 0 190.290 2.307 10 0 AEAERO C[NH2+]C[C@@H]1CCC[C@H]1c1cccnc1 87957725 573032887 /nfs/dbraw/zinc/03/28/87/573032887.db2.gz JOQNRCOEUZLVKR-CMPLNLGQSA-N 1 0 190.290 2.185 10 0 AEAERO CC[C@@H]([NH3+])c1cccc(O)c1C 104577962 573032892 /nfs/dbraw/zinc/03/28/92/573032892.db2.gz UDPYNUHNGFSNHV-SECBINFHSA-N 1 0 165.236 2.110 10 0 AEAERO [NH3+]CCc1coc2c(F)c(F)ccc12 87968932 573032918 /nfs/dbraw/zinc/03/29/18/573032918.db2.gz WKQCPHZEOOFVBJ-UHFFFAOYSA-N 1 0 197.184 2.212 10 0 AEAERO CCC[C@H]([NH3+])c1cnc(Cl)cc1N 238249919 573032984 /nfs/dbraw/zinc/03/29/84/573032984.db2.gz IIOFAOMWOOCWPZ-ZETCQYMHSA-N 1 0 199.685 2.117 10 0 AEAERO C[NH2+]C[C@H]1CCC[C@@H]1c1ccco1 87957828 573033027 /nfs/dbraw/zinc/03/30/27/573033027.db2.gz MOABTMKTDIMDHP-ZJUUUORDSA-N 1 0 179.263 2.383 10 0 AEAERO CC[C@H]([NH3+])c1cccc(O)c1C 104577959 573033035 /nfs/dbraw/zinc/03/30/35/573033035.db2.gz UDPYNUHNGFSNHV-VIFPVBQESA-N 1 0 165.236 2.110 10 0 AEAERO C[NH2+][C@@H]1CCC[C@@H]1c1cnccc1C 85442273 573033122 /nfs/dbraw/zinc/03/31/22/573033122.db2.gz JHCSJBAWQFDJHN-ZYHUDNBSSA-N 1 0 190.290 2.246 10 0 AEAERO Cc1ccncc1C(C)(C)C[C@H](C)[NH3+] 85442926 573033148 /nfs/dbraw/zinc/03/31/48/573033148.db2.gz WVNXYDUZIDBMNB-JTQLQIEISA-N 1 0 192.306 2.405 10 0 AEAERO C[NH2+]C[C@@H]1CCC[C@@H]1c1ccoc1 87957955 573033179 /nfs/dbraw/zinc/03/31/79/573033179.db2.gz YFAKRDAZXARFNN-ONGXEEELSA-N 1 0 179.263 2.383 10 0 AEAERO Cc1ccncc1[C@H]1C[C@@H](C)CC[NH2+]1 85442328 573033183 /nfs/dbraw/zinc/03/31/83/573033183.db2.gz HVVDYZMDUONABM-JOYOIKCWSA-N 1 0 190.290 2.451 10 0 AEAERO CCc1ccc(OC)cc1[C@@H](C)[NH3+] 104579042 573033202 /nfs/dbraw/zinc/03/32/02/573033202.db2.gz XNBRIZXTUJGCRS-MRVPVSSYSA-N 1 0 179.263 2.277 10 0 AEAERO C[C@H](c1ccccc1)[C@@H](C)C[NH3+] 82404455 573033240 /nfs/dbraw/zinc/03/32/40/573033240.db2.gz GOYSFPVWJPVZFN-UWVGGRQHSA-N 1 0 163.264 2.385 10 0 AEAERO C[NH2+]C[C@H]1CCC[C@@H]1c1ccoc1 87957956 573033258 /nfs/dbraw/zinc/03/32/58/573033258.db2.gz YFAKRDAZXARFNN-KOLCDFICSA-N 1 0 179.263 2.383 10 0 AEAERO [NH3+]C[C@@H]1CCn2c1cc1ccccc12 257932017 573033263 /nfs/dbraw/zinc/03/32/63/573033263.db2.gz TVGLFYFKWFFOQR-JTQLQIEISA-N 1 0 186.258 2.087 10 0 AEAERO CCc1cccc(F)c1[C@H](C)[NH3+] 104577991 573033266 /nfs/dbraw/zinc/03/32/66/573033266.db2.gz JGOTVDSJYAOQJB-ZETCQYMHSA-N 1 0 167.227 2.408 10 0 AEAERO CCC(CC)[C@H](C)C[NH3+] 82411093 573033278 /nfs/dbraw/zinc/03/32/78/573033278.db2.gz CYZMCGATKUNCGU-SSDOTTSWSA-N 1 0 129.247 2.017 10 0 AEAERO CC[C@@H]1CC[C@H]1C[NH2+]C1CC1 87956280 573033318 /nfs/dbraw/zinc/03/33/18/573033318.db2.gz PENNYIYBQVKQCR-BDAKNGLRSA-N 1 0 153.269 2.175 10 0 AEAERO CC[NH2+]C[C@@H]1C[C@]1(C)C[C@H]1CCCO1 689786750 573033383 /nfs/dbraw/zinc/03/33/83/573033383.db2.gz VLXHWEAHHXCDIK-QJPTWQEYSA-N 1 0 197.322 2.191 10 0 AEAERO Cc1ccncc1[C@H](C)C[C@H](C)[NH3+] 85442900 573033397 /nfs/dbraw/zinc/03/33/97/573033397.db2.gz MHHYUGIHFJGSGW-ZJUUUORDSA-N 1 0 178.279 2.231 10 0 AEAERO CCC[NH2+][C@@H](CC)c1ccc[nH]1 238250023 573033401 /nfs/dbraw/zinc/03/34/01/573033401.db2.gz DKICTISMKTVQGJ-VIFPVBQESA-N 1 0 166.268 2.465 10 0 AEAERO CCCC[C@H](C)C[C@H]1COCC[NH2+]1 308232702 573033406 /nfs/dbraw/zinc/03/34/06/573033406.db2.gz UJEDTFHYZPIYSK-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO C[NH2+]C[C@H]1CCC[C@H]1c1ccoc1 87957958 573033407 /nfs/dbraw/zinc/03/34/07/573033407.db2.gz YFAKRDAZXARFNN-MWLCHTKSSA-N 1 0 179.263 2.383 10 0 AEAERO CC[NH2+]CCC(C)(C)CCCOC 87957259 573033424 /nfs/dbraw/zinc/03/34/24/573033424.db2.gz IHMVSRCBQNHFMG-UHFFFAOYSA-N 1 0 187.327 2.439 10 0 AEAERO CC[C@H]1CCC[C@H]1C[NH2+]C 87957882 573033431 /nfs/dbraw/zinc/03/34/31/573033431.db2.gz WQXUSHYFEBVWCV-IUCAKERBSA-N 1 0 141.258 2.032 10 0 AEAERO CCOC[C@@H]1CCCC[C@@H]1C[NH2+]C 87960843 573033451 /nfs/dbraw/zinc/03/34/51/573033451.db2.gz ZPIXOWLRPMYIIW-MNOVXSKESA-N 1 0 185.311 2.049 10 0 AEAERO C[NH2+][C@H](c1cnccc1C)[C@@H]1C[C@@H]1C 85441802 573033464 /nfs/dbraw/zinc/03/34/64/573033464.db2.gz CKVSUJVYAYCQNK-UMNHJUIQSA-N 1 0 190.290 2.307 10 0 AEAERO Cc1ncccc1C[NH2+]C(C)(C)C 82424829 573033481 /nfs/dbraw/zinc/03/34/81/573033481.db2.gz SQMSKJAGPAOESM-UHFFFAOYSA-N 1 0 178.279 2.278 10 0 AEAERO C[NH2+][C@H]1CCC[C@@H]1c1cnccc1C 85442269 573033488 /nfs/dbraw/zinc/03/34/88/573033488.db2.gz JHCSJBAWQFDJHN-PWSUYJOCSA-N 1 0 190.290 2.246 10 0 AEAERO CCCC[N@H+](C)[C@@H]1CCCOCC1 308232562 573033497 /nfs/dbraw/zinc/03/34/97/573033497.db2.gz PKSBICPJNVBHLC-LLVKDONJSA-N 1 0 185.311 2.287 10 0 AEAERO Cc1ccncc1C1=C[C@@H]([NH3+])CCC1 85442957 573033570 /nfs/dbraw/zinc/03/35/70/573033570.db2.gz PBVNWVFLDMZRIO-NSHDSACASA-N 1 0 188.274 2.285 10 0 AEAERO Cc1ccncc1[C@@H]([NH3+])C1CCC1 85441583 573033583 /nfs/dbraw/zinc/03/35/83/573033583.db2.gz NXPYEBMSWGQYKR-NSHDSACASA-N 1 0 176.263 2.190 10 0 AEAERO CC[NH2+]C[C@@H]1C[C@@]1(C)C[C@@H]1CCCO1 689786755 573033593 /nfs/dbraw/zinc/03/35/93/573033593.db2.gz VLXHWEAHHXCDIK-SRVKXCTJSA-N 1 0 197.322 2.191 10 0 AEAERO CC[C@H]1CCC[C@@H]1C[NH2+]C 87957880 573033599 /nfs/dbraw/zinc/03/35/99/573033599.db2.gz WQXUSHYFEBVWCV-DTWKUNHWSA-N 1 0 141.258 2.032 10 0 AEAERO CCC[C@@H]1CCC[C@H]1C[NH2+]C 87957941 573033633 /nfs/dbraw/zinc/03/36/33/573033633.db2.gz IHMURIKNELWSRG-ZJUUUORDSA-N 1 0 155.285 2.422 10 0 AEAERO C1CCC(SCC2C[NH2+]C2)CC1 85443895 573033642 /nfs/dbraw/zinc/03/36/42/573033642.db2.gz IWNLXBAEVWVJBN-UHFFFAOYSA-N 1 0 185.336 2.272 10 0 AEAERO CCc1c(OC)cccc1[C@H](C)[NH3+] 104580521 573033653 /nfs/dbraw/zinc/03/36/53/573033653.db2.gz HYXRAYHKBBGWLZ-QMMMGPOBSA-N 1 0 179.263 2.277 10 0 AEAERO CC[NH2+]C[C@H]1CCC[C@@H]1CC 87958379 573033655 /nfs/dbraw/zinc/03/36/55/573033655.db2.gz ZNWBSECSHGOKKA-VHSXEESVSA-N 1 0 155.285 2.422 10 0 AEAERO Cc1ccncc1[C@H]1CCC[C@@H]([NH3+])C1 85442731 573033856 /nfs/dbraw/zinc/03/38/56/573033856.db2.gz ICXTXACMVURVIT-WDEREUQCSA-N 1 0 190.290 2.375 10 0 AEAERO Cc1ccncc1[C@@H]1CCC[C@@H]([NH3+])C1 85442729 573033694 /nfs/dbraw/zinc/03/36/94/573033694.db2.gz ICXTXACMVURVIT-GHMZBOCLSA-N 1 0 190.290 2.375 10 0 AEAERO Cc1ccncc1[C@@H]1C[C@@H](C)CC[NH2+]1 85442327 573033709 /nfs/dbraw/zinc/03/37/09/573033709.db2.gz HVVDYZMDUONABM-CABZTGNLSA-N 1 0 190.290 2.451 10 0 AEAERO C[NH2+]C[C@@H]1CCC[C@H]1C(C)C 87957729 573033728 /nfs/dbraw/zinc/03/37/28/573033728.db2.gz SPYNLIANLABVPF-UWVGGRQHSA-N 1 0 155.285 2.278 10 0 AEAERO C[NH2+][C@H]1CC[C@H](c2cnccc2C)C1 85442787 573033747 /nfs/dbraw/zinc/03/37/47/573033747.db2.gz AGZJMBQTUFOEGF-QWRGUYRKSA-N 1 0 190.290 2.246 10 0 AEAERO CCCC[C@@H]([NH2+]CC)c1cn[nH]c1 308235173 573033764 /nfs/dbraw/zinc/03/37/64/573033764.db2.gz VSCVFGAVLQSNCG-SNVBAGLBSA-N 1 0 181.283 2.251 10 0 AEAERO C[NH2+]C[C@@H]1CCCC[C@@H]1C1CC1 87960294 573033767 /nfs/dbraw/zinc/03/37/67/573033767.db2.gz VHJSORVOEYJLMM-WDEREUQCSA-N 1 0 167.296 2.422 10 0 AEAERO CC[NH2+]C[C@H]1CCC[C@H]1CC 87958378 573033787 /nfs/dbraw/zinc/03/37/87/573033787.db2.gz ZNWBSECSHGOKKA-NXEZZACHSA-N 1 0 155.285 2.422 10 0 AEAERO Cc1ccncc1[C@@H](C)C[C@H](C)[NH3+] 85442898 573033793 /nfs/dbraw/zinc/03/37/93/573033793.db2.gz MHHYUGIHFJGSGW-UWVGGRQHSA-N 1 0 178.279 2.231 10 0 AEAERO CCC[C@H]([NH3+])c1cccc2ccnn12 238249267 573033840 /nfs/dbraw/zinc/03/38/40/573033840.db2.gz CQZNDHKNMVVWJL-JTQLQIEISA-N 1 0 189.262 2.134 10 0 AEAERO O=C1C2(CCCC2)C[NH2+]C12CCCC2 141816728 573033886 /nfs/dbraw/zinc/03/38/86/573033886.db2.gz IXLXDUKTXXPQPO-UHFFFAOYSA-N 1 0 193.290 2.032 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]CC1(C(F)F)CC1 308236619 573033893 /nfs/dbraw/zinc/03/38/93/573033893.db2.gz QZCCJZLAUIRVOO-SFYZADRCSA-N 1 0 189.249 2.420 10 0 AEAERO CCOC[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87956686 573033925 /nfs/dbraw/zinc/03/39/25/573033925.db2.gz ZHYKYODZDYHFTA-MNOVXSKESA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+]C[C@H]1CCC[C@H]1c1cccnc1 87957726 573033941 /nfs/dbraw/zinc/03/39/41/573033941.db2.gz JOQNRCOEUZLVKR-ZYHUDNBSSA-N 1 0 190.290 2.185 10 0 AEAERO C[NH2+][C@@H](c1cnccc1C)C(C)C 85441268 573033982 /nfs/dbraw/zinc/03/39/82/573033982.db2.gz FCRUYSXIMSVXHW-LLVKDONJSA-N 1 0 178.279 2.307 10 0 AEAERO C[NH2+]C[C@H]1CCC[C@H]1c1ccco1 87957830 573033991 /nfs/dbraw/zinc/03/39/91/573033991.db2.gz MOABTMKTDIMDHP-NXEZZACHSA-N 1 0 179.263 2.383 10 0 AEAERO CC(=[NH2+])NCc1sccc1C 82431779 573034269 /nfs/dbraw/zinc/03/42/69/573034269.db2.gz WDCQPDUCFJEZLX-UHFFFAOYSA-N 1 0 168.265 2.143 10 0 AEAERO CCCN(CC(C)C)[C@@H]1C[NH2+][C@H](C)C1 308486531 573034021 /nfs/dbraw/zinc/03/40/21/573034021.db2.gz OIUOGASYPNWOPI-NEPJUHHUSA-N 1 0 198.354 2.105 10 0 AEAERO C[NH2+]Cc1cc2cccc(N)c2s1 257927369 573034046 /nfs/dbraw/zinc/03/40/46/573034046.db2.gz SKVDBLHHIBKOFL-UHFFFAOYSA-N 1 0 192.287 2.203 10 0 AEAERO CC[NH2+]C[C@@H]1C[C@]1(C)C[C@@H]1CCCO1 689786753 573034050 /nfs/dbraw/zinc/03/40/50/573034050.db2.gz VLXHWEAHHXCDIK-SDDRHHMPSA-N 1 0 197.322 2.191 10 0 AEAERO CC(C)C[C@](C)(O)CC1CC[NH2+]CC1 257925735 573034063 /nfs/dbraw/zinc/03/40/63/573034063.db2.gz YYVHIHNFVSZTSA-LBPRGKRZSA-N 1 0 199.338 2.173 10 0 AEAERO Cc1cc([C@H](C)[NH3+])cc(N(C)C)c1C 259316797 573034087 /nfs/dbraw/zinc/03/40/87/573034087.db2.gz DJOYBUILYIGPRD-JTQLQIEISA-N 1 0 192.306 2.389 10 0 AEAERO CC[NH2+]C[C@@H]1CCC[C@H]1CC 87958380 573034089 /nfs/dbraw/zinc/03/40/89/573034089.db2.gz ZNWBSECSHGOKKA-ZJUUUORDSA-N 1 0 155.285 2.422 10 0 AEAERO Cc1ccncc1[C@H]([NH3+])[C@@H]1C[C@@H]1C 85441793 573034101 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195.306 2.216 10 0 AEAERO CCc1cccc(OC2CC([NH3+])C2)c1 85522644 573060942 /nfs/dbraw/zinc/06/09/42/573060942.db2.gz ORTICDKRUSDFPM-UHFFFAOYSA-N 1 0 191.274 2.118 10 0 AEAERO C[NH2+][C@@H]1CCCN(CC(C)C)C1(C)C 259320383 573060959 /nfs/dbraw/zinc/06/09/59/573060959.db2.gz IGSLRMOATDHUJF-LLVKDONJSA-N 1 0 198.354 2.105 10 0 AEAERO CC[NH2+]C1CC(OCCC(C)C)C1 85521420 573061005 /nfs/dbraw/zinc/06/10/05/573061005.db2.gz WFCUGFPTLWXJAQ-UHFFFAOYSA-N 1 0 185.311 2.190 10 0 AEAERO CC1(C)[C@@H]([NH3+])C[C@@H]1OCC1CCCC1 85526772 573061095 /nfs/dbraw/zinc/06/10/95/573061095.db2.gz BQUGFSHNGJREMA-QWRGUYRKSA-N 1 0 197.322 2.319 10 0 AEAERO CCCC[N@H+](C)[C@@H](C)[C@@H]1CCOC1 308244027 573061099 /nfs/dbraw/zinc/06/10/99/573061099.db2.gz UETBWHRWFNEYDY-WDEREUQCSA-N 1 0 185.311 2.143 10 0 AEAERO CCc1ccc(Cl)c2c1OC[C@H]2[NH3+] 238274726 573061115 /nfs/dbraw/zinc/06/11/15/573061115.db2.gz LOMHQRSSMIJNKV-MRVPVSSYSA-N 1 0 197.665 2.295 10 0 AEAERO C[C@H]1Cc2ccc([C@@H](C)[NH3+])cc2N1 257936277 573061120 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573094734 /nfs/dbraw/zinc/09/47/34/573094734.db2.gz LTLISQLCNQPUCL-IJLUTSLNSA-N 1 0 195.306 2.110 10 0 AEAERO C[C@@H]1CC[C@@]1([NH3+])c1ccccc1 85631416 573094739 /nfs/dbraw/zinc/09/47/39/573094739.db2.gz SFOHRRJVCRPUAB-KOLCDFICSA-N 1 0 161.248 2.271 10 0 AEAERO CCCCn1ccc2c(N)cc[nH+]c21 238276656 573094949 /nfs/dbraw/zinc/09/49/49/573094949.db2.gz JMNVILBDBNFWJX-UHFFFAOYSA-N 1 0 189.262 2.419 10 0 AEAERO CN(CC(C)(C)C[NH3+])c1ccccc1 49806965 573094952 /nfs/dbraw/zinc/09/49/52/573094952.db2.gz VKCLXUWVBKRIBK-UHFFFAOYSA-N 1 0 192.306 2.108 10 0 AEAERO COc1ccc([C@@]2([NH3+])CC[C@@H]2C)cc1 85631510 573094955 /nfs/dbraw/zinc/09/49/55/573094955.db2.gz DQSJATHBIJTIOH-JOYOIKCWSA-N 1 0 191.274 2.279 10 0 AEAERO CC[NH2+][C@H](C[C@H](C)OC)C(C)C 128684206 573094964 /nfs/dbraw/zinc/09/49/64/573094964.db2.gz QOZZPYMXFVCUED-VHSXEESVSA-N 1 0 173.300 2.046 10 0 AEAERO CC[C@]1(C)C[NH2+]C[C@H](C2(C)CCC2)O1 686130847 573095111 /nfs/dbraw/zinc/09/51/11/573095111.db2.gz JSIUADMMBMOUMA-ZYHUDNBSSA-N 1 0 197.322 2.334 10 0 AEAERO Cc1cccc(N(C)C[C@@H](C)C[NH3+])c1 49806953 573095132 /nfs/dbraw/zinc/09/51/32/573095132.db2.gz GJBIUFTWPXPCKN-NSHDSACASA-N 1 0 192.306 2.026 10 0 AEAERO CCCCc1ccc([C@H](O)C[NH3+])cc1 49807222 573095172 /nfs/dbraw/zinc/09/51/72/573095172.db2.gz MNTNIDAVSDPZIP-GFCCVEGCSA-N 1 0 193.290 2.021 10 0 AEAERO CCOc1ccc(C)c2c1[C@H]([NH3+])CC2 238277705 573095209 /nfs/dbraw/zinc/09/52/09/573095209.db2.gz RABSAALASROHQK-SNVBAGLBSA-N 1 0 191.274 2.340 10 0 AEAERO COC(C)(C)C[N@H+](C)CC[C@@H](C)F 308254618 573095234 /nfs/dbraw/zinc/09/52/34/573095234.db2.gz IEFGQNGSIYLGRO-SECBINFHSA-N 1 0 191.290 2.091 10 0 AEAERO CCc1ccc(F)c2c1[C@H]([NH3+])CCO2 238276962 573095257 /nfs/dbraw/zinc/09/52/57/573095257.db2.gz BDZGIJCSKUAWRY-SECBINFHSA-N 1 0 195.237 2.170 10 0 AEAERO CCOc1ccc(C)c2c1[C@@H]([NH3+])CC2 238277715 573095266 /nfs/dbraw/zinc/09/52/66/573095266.db2.gz RABSAALASROHQK-JTQLQIEISA-N 1 0 191.274 2.340 10 0 AEAERO CCCC1=CCCC[NH2+]1 104628820 573095393 /nfs/dbraw/zinc/09/53/93/573095393.db2.gz VPUXITVKYUEGNH-UHFFFAOYSA-N 1 0 125.215 2.054 10 0 AEAERO CCC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H]1C 222624515 573095399 /nfs/dbraw/zinc/09/53/99/573095399.db2.gz BBHVXJMZXNOWIT-GUBZILKMSA-N 1 0 183.295 2.084 10 0 AEAERO CCc1ccc(F)cc1C[C@@H](C)[NH3+] 238277433 573095402 /nfs/dbraw/zinc/09/54/02/573095402.db2.gz XKNGHDITRGYPTC-MRVPVSSYSA-N 1 0 181.254 2.278 10 0 AEAERO CCC(=O)C1(C[NH3+])CCCCCC1 123609077 573095415 /nfs/dbraw/zinc/09/54/15/573095415.db2.gz DRRQUXTZSQJPLA-UHFFFAOYSA-N 1 0 183.295 2.265 10 0 AEAERO CCCS[C@@]1(C[NH3+])CC[C@@H]1C 85631131 573095452 /nfs/dbraw/zinc/09/54/52/573095452.db2.gz XNDLFLZFSVXKTK-DTWKUNHWSA-N 1 0 173.325 2.257 10 0 AEAERO CC(C)C[C@@H](C)[C@H]([NH3+])c1cncnc1 308501053 573095489 /nfs/dbraw/zinc/09/54/89/573095489.db2.gz WMCQHKZAFPKQHX-KOLCDFICSA-N 1 0 193.294 2.159 10 0 AEAERO C[C@@H]1CC[C@]1([NH3+])c1ccc(F)cc1 85631484 573095524 /nfs/dbraw/zinc/09/55/24/573095524.db2.gz QRQVTFBELRIATK-LDYMZIIASA-N 1 0 179.238 2.410 10 0 AEAERO C[C@@H]1CC[C@@]1(C[NH3+])c1ccc(F)cc1 85630915 573095527 /nfs/dbraw/zinc/09/55/27/573095527.db2.gz JJTHNAGMYUIFNP-SKDRFNHKSA-N 1 0 193.265 2.452 10 0 AEAERO C[C@H]1CC2=C(CCCC2)[NH2+]1 104629656 573095529 /nfs/dbraw/zinc/09/55/29/573095529.db2.gz XLMKRSWEGFGTTB-ZETCQYMHSA-N 1 0 137.226 2.196 10 0 AEAERO CCC(CC)[C@H](C[C@H](C)OC)[NH2+]C 128633066 573095553 /nfs/dbraw/zinc/09/55/53/573095553.db2.gz CVMRBNVDCDLQLL-ONGXEEELSA-N 1 0 187.327 2.436 10 0 AEAERO C[C@H](c1ccc(F)c(N)c1)[NH+](C)C 257940680 573095576 /nfs/dbraw/zinc/09/55/76/573095576.db2.gz UXIDGSRDAGMRKX-SSDOTTSWSA-N 1 0 182.242 2.031 10 0 AEAERO CC[N@H+](CC(C)C)C[C@H](N)CC1CC1 308501949 573095592 /nfs/dbraw/zinc/09/55/92/573095592.db2.gz WZRGWBSAFDETEN-GFCCVEGCSA-N 1 0 198.354 2.092 10 0 AEAERO C[C@@H]([NH2+][C@H]1CCC[C@H]1O)C1CCCC1 88163043 573095687 /nfs/dbraw/zinc/09/56/87/573095687.db2.gz MSZDBEAYDDGLQV-ADEWGFFLSA-N 1 0 197.322 2.068 10 0 AEAERO CC(C)=C1CC[C@@H](C)[NH2+]1 104628809 573095697 /nfs/dbraw/zinc/09/56/97/573095697.db2.gz GXSNJWCIANHNCD-SSDOTTSWSA-N 1 0 125.215 2.052 10 0 AEAERO CCOc1ccc(F)c2c1[C@H]([NH3+])CC2 238275869 573095800 /nfs/dbraw/zinc/09/58/00/573095800.db2.gz JSMKIWWAYGKNDM-SECBINFHSA-N 1 0 195.237 2.170 10 0 AEAERO C[C@H]1CC[C@@]1(C[NH3+])c1ccc(F)cc1 85630918 573095825 /nfs/dbraw/zinc/09/58/25/573095825.db2.gz JJTHNAGMYUIFNP-CABZTGNLSA-N 1 0 193.265 2.452 10 0 AEAERO CCCS[C@]1(C[NH3+])CC[C@@H]1C 85631126 573095833 /nfs/dbraw/zinc/09/58/33/573095833.db2.gz XNDLFLZFSVXKTK-IUCAKERBSA-N 1 0 173.325 2.257 10 0 AEAERO CC[C@H](C)[C@]1(C)C[NH2+]C(C)(C)O1 238276859 573095845 /nfs/dbraw/zinc/09/58/45/573095845.db2.gz CDHSJJQGVPKIRH-WPRPVWTQSA-N 1 0 171.284 2.147 10 0 AEAERO CCc1cc(O)cc([C@H](C)C[NH3+])c1 257943757 573095850 /nfs/dbraw/zinc/09/58/50/573095850.db2.gz DQDWWWCVUOFERQ-MRVPVSSYSA-N 1 0 179.263 2.017 10 0 AEAERO CCc1ccc([C@@H](CC[NH3+])OC)cc1 49807211 573095870 /nfs/dbraw/zinc/09/58/70/573095870.db2.gz NWYHKOCPAPXKKG-GFCCVEGCSA-N 1 0 193.290 2.285 10 0 AEAERO C[C@H]([NH2+]C1COC1)C1CCCCCC1 88163155 573095871 /nfs/dbraw/zinc/09/58/71/573095871.db2.gz GTKSPFXEOJMTOP-JTQLQIEISA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H](C[NH3+])CCc1ccc(F)c(F)c1 128645902 573095941 /nfs/dbraw/zinc/09/59/41/573095941.db2.gz IWKFGMSQACQPQS-QMMMGPOBSA-N 1 0 199.244 2.492 10 0 AEAERO CC[C@H](C)[C@H]1COC2(CCCC2)[NH2+]1 238275887 573096039 /nfs/dbraw/zinc/09/60/39/573096039.db2.gz OFOOKNCEJUPSHR-VHSXEESVSA-N 1 0 183.295 2.291 10 0 AEAERO CC[N@H+](CCC(C)(C)C)C[C@H](C)O 308501698 573096065 /nfs/dbraw/zinc/09/60/65/573096065.db2.gz XGFCBRDDOGXNIZ-JTQLQIEISA-N 1 0 187.327 2.125 10 0 AEAERO C[C@@H]([NH2+]C[Si](C)(C)C)c1ccon1 308254732 573096083 /nfs/dbraw/zinc/09/60/83/573096083.db2.gz JWTGZHDQVQFOCM-MRVPVSSYSA-N 1 0 198.342 2.203 10 0 AEAERO CCCC(=[NH2+])NCCOC(C)(C)C 308501841 573096100 /nfs/dbraw/zinc/09/61/00/573096100.db2.gz AGINPJWLWZWWBU-UHFFFAOYSA-N 1 0 186.299 2.168 10 0 AEAERO Cc1cc(C2([C@H](C)[NH3+])CC2)ccc1O 257943710 573096223 /nfs/dbraw/zinc/09/62/23/573096223.db2.gz AFCRWJVEFIANHO-VIFPVBQESA-N 1 0 191.274 2.079 10 0 AEAERO CCc1ccc(F)c2c1CC[C@H]2[NH3+] 238277120 573096237 /nfs/dbraw/zinc/09/62/37/573096237.db2.gz HMWMEFXORPIVHK-SNVBAGLBSA-N 1 0 179.238 2.334 10 0 AEAERO CCCC(=O)C[N@@H+]1CC(C)(C)C1(C)C 690128191 573096245 /nfs/dbraw/zinc/09/62/45/573096245.db2.gz ABWWFZFLRBSGMM-UHFFFAOYSA-N 1 0 197.322 2.476 10 0 AEAERO CCC[C@@H]1[NH2+]COC12CCCCC2 238277717 573096253 /nfs/dbraw/zinc/09/62/53/573096253.db2.gz NUJJNKVFFUCTBS-JTQLQIEISA-N 1 0 183.295 2.435 10 0 AEAERO CC1=CC(C)(C)[NH2+][C@H](C)C1 104631308 573096274 /nfs/dbraw/zinc/09/62/74/573096274.db2.gz VFAADHUJIACFBQ-MRVPVSSYSA-N 1 0 139.242 2.093 10 0 AEAERO [NH3+]CC1(c2ccccc2CF)CC1 257940767 573096377 /nfs/dbraw/zinc/09/63/77/573096377.db2.gz DDURWVROLWGTTI-UHFFFAOYSA-N 1 0 179.238 2.146 10 0 AEAERO C[C@@H](c1ccc(F)c(N)c1)[NH+](C)C 257940682 573096386 /nfs/dbraw/zinc/09/63/86/573096386.db2.gz UXIDGSRDAGMRKX-ZETCQYMHSA-N 1 0 182.242 2.031 10 0 AEAERO COCC1([NH2+]C[C@]2(C)CC2(C)C)CC1 717123886 573096395 /nfs/dbraw/zinc/09/63/95/573096395.db2.gz NKIQGXUMHJYMSM-NSHDSACASA-N 1 0 197.322 2.191 10 0 AEAERO CCC[C@@H]1[NH2+]CC[C@H]1C(C)C 238277561 573096412 /nfs/dbraw/zinc/09/64/12/573096412.db2.gz SGXQFLQVGQOJGD-UWVGGRQHSA-N 1 0 155.285 2.421 10 0 AEAERO Cc1cccc(N(C)CCCC[NH3+])c1 49806957 573096468 /nfs/dbraw/zinc/09/64/68/573096468.db2.gz XCIKTBVGWGBSGH-UHFFFAOYSA-N 1 0 192.306 2.170 10 0 AEAERO COc1ccc(C)c(CC2([NH3+])CC2)c1 257943699 573096495 /nfs/dbraw/zinc/09/64/95/573096495.db2.gz AEUADKGFYTVABU-UHFFFAOYSA-N 1 0 191.274 2.037 10 0 AEAERO CC[C@@]1(C)C[NH2+]C[C@H](C2(C)CCC2)O1 686130846 573096518 /nfs/dbraw/zinc/09/65/18/573096518.db2.gz JSIUADMMBMOUMA-PWSUYJOCSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@@H]1[NH2+][C@@H](C)[C@@H](c2ccccc2)O1 238277549 573096586 /nfs/dbraw/zinc/09/65/86/573096586.db2.gz YPHYCHZWQNPUQX-WCQGTBRESA-N 1 0 191.274 2.472 10 0 AEAERO COc1cc([C@@H](C)[NH3+])cc(C)c1C 257940694 573096604 /nfs/dbraw/zinc/09/66/04/573096604.db2.gz DCPFSFJJENHBCD-SECBINFHSA-N 1 0 179.263 2.332 10 0 AEAERO C[NH2+]CCC(=O)c1cc(C)ccc1C 49806716 573096611 /nfs/dbraw/zinc/09/66/11/573096611.db2.gz XEQZATOUPUNIOW-UHFFFAOYSA-N 1 0 191.274 2.096 10 0 AEAERO CC(C)=CC[NH2+]Cc1cccc(F)n1 308502037 573096627 /nfs/dbraw/zinc/09/66/27/573096627.db2.gz HAUXHDTVOXRRMG-UHFFFAOYSA-N 1 0 194.253 2.277 10 0 AEAERO CC[C@@H]([NH3+])c1cc[nH]c1Cl 238276977 573096702 /nfs/dbraw/zinc/09/67/02/573096702.db2.gz MVCDWQWHUPJXLN-ZCFIWIBFSA-N 1 0 158.632 2.078 10 0 AEAERO COc1ccc([C@]2([NH3+])CC[C@@H]2C)cc1 85631515 573096717 /nfs/dbraw/zinc/09/67/17/573096717.db2.gz DQSJATHBIJTIOH-CABZTGNLSA-N 1 0 191.274 2.279 10 0 AEAERO C[C@H]1CC[C@]1([NH3+])c1ccccc1F 85631753 573096747 /nfs/dbraw/zinc/09/67/47/573096747.db2.gz YPYPLOBVIUWOIO-GZMMTYOYSA-N 1 0 179.238 2.410 10 0 AEAERO C[NH2+]CC[C@H](F)c1cccc(F)c1 257940760 573096897 /nfs/dbraw/zinc/09/68/97/573096897.db2.gz UZKSKKODJFJVNE-JTQLQIEISA-N 1 0 185.217 2.446 10 0 AEAERO Cc1ccc(N(C)CCCC[NH3+])cc1 49806962 573096900 /nfs/dbraw/zinc/09/69/00/573096900.db2.gz BPPHXXJOPJZLJG-UHFFFAOYSA-N 1 0 192.306 2.170 10 0 AEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H]1C 85632572 573096903 /nfs/dbraw/zinc/09/69/03/573096903.db2.gz IEBZXWKBTNHLDX-ZJUUUORDSA-N 1 0 155.285 2.278 10 0 AEAERO COc1ccccc1[C@]1([NH3+])CC[C@H]1C 85631555 573096927 /nfs/dbraw/zinc/09/69/27/573096927.db2.gz MKKOGRPKSLALFE-SKDRFNHKSA-N 1 0 191.274 2.279 10 0 AEAERO Cc1ccc(N(C)C[C@@H](C)C[NH3+])cc1 49806958 573097011 /nfs/dbraw/zinc/09/70/11/573097011.db2.gz YYHWLPRJMFNAFD-NSHDSACASA-N 1 0 192.306 2.026 10 0 AEAERO [NH3+][C@@]12CCCC[C@@H](CC1)C2 104632207 573097030 /nfs/dbraw/zinc/09/70/30/573097030.db2.gz MJPUPGSDXQLOPG-IUCAKERBSA-N 1 0 139.242 2.058 10 0 AEAERO C[NH2+]CCC(=O)c1ccc(C)c(C)c1 49806715 573097088 /nfs/dbraw/zinc/09/70/88/573097088.db2.gz VPBWTZRTDVFDGT-UHFFFAOYSA-N 1 0 191.274 2.096 10 0 AEAERO COc1cccc([C@@H](C)[NH3+])c1SC 257943585 573097135 /nfs/dbraw/zinc/09/71/35/573097135.db2.gz ABAKWFPNJCQKRG-SSDOTTSWSA-N 1 0 197.303 2.437 10 0 AEAERO CCc1ccc(F)c2c1[C@@H]([NH3+])CCO2 238276973 573097136 /nfs/dbraw/zinc/09/71/36/573097136.db2.gz BDZGIJCSKUAWRY-VIFPVBQESA-N 1 0 195.237 2.170 10 0 AEAERO CCc1ccc(F)cc1C[C@H](C)[NH3+] 238277451 573097161 /nfs/dbraw/zinc/09/71/61/573097161.db2.gz XKNGHDITRGYPTC-QMMMGPOBSA-N 1 0 181.254 2.278 10 0 AEAERO COc1ccc([C@]2([NH3+])CC[C@H]2C)cc1 85631513 573097196 /nfs/dbraw/zinc/09/71/96/573097196.db2.gz DQSJATHBIJTIOH-SKDRFNHKSA-N 1 0 191.274 2.279 10 0 AEAERO CC(C)C[C@H](C)[C@@H]([NH3+])c1cncnc1 308501052 573097246 /nfs/dbraw/zinc/09/72/46/573097246.db2.gz WMCQHKZAFPKQHX-GXSJLCMTSA-N 1 0 193.294 2.159 10 0 AEAERO C[C@@H]1CC[C@H]1C[NH2+]C(C)(C)C 85632560 573097299 /nfs/dbraw/zinc/09/72/99/573097299.db2.gz KHPCKQACMOGLSQ-BDAKNGLRSA-N 1 0 155.285 2.421 10 0 AEAERO CCc1ccc(F)c2c1[C@@H]([NH3+])CC2 238276930 573097333 /nfs/dbraw/zinc/09/73/33/573097333.db2.gz OJAQJINLPJAZTM-JTQLQIEISA-N 1 0 179.238 2.334 10 0 AEAERO C[NH2+]CC[C@@H](F)c1cccc(F)c1 257940762 573097334 /nfs/dbraw/zinc/09/73/34/573097334.db2.gz UZKSKKODJFJVNE-SNVBAGLBSA-N 1 0 185.217 2.446 10 0 AEAERO CC[C@@H](C)C(=[NH2+])NC(C)C 82563014 573097340 /nfs/dbraw/zinc/09/73/40/573097340.db2.gz UKWMBGIABWHTHI-SSDOTTSWSA-N 1 0 142.246 2.008 10 0 AEAERO C/C=C(\C[NH3+])c1ccccc1 104634169 573097347 /nfs/dbraw/zinc/09/73/47/573097347.db2.gz WSSKQVBSUQPWSG-XNWCZRBMSA-N 1 0 147.221 2.049 10 0 AEAERO CC[C@@H](C)c1nc(C)c(C[NH3+])s1 82562798 573097366 /nfs/dbraw/zinc/09/73/66/573097366.db2.gz MZQOSXSAIGJLOB-ZCFIWIBFSA-N 1 0 184.308 2.424 10 0 AEAERO CCc1ccc(F)c2c1[C@H]([NH3+])CC2 238276920 573097478 /nfs/dbraw/zinc/09/74/78/573097478.db2.gz OJAQJINLPJAZTM-SNVBAGLBSA-N 1 0 179.238 2.334 10 0 AEAERO C[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C 85632554 573097482 /nfs/dbraw/zinc/09/74/82/573097482.db2.gz KHPCKQACMOGLSQ-RKDXNWHRSA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@H](C)[C@H]([NH3+])c1cncc(F)c1 82561945 573097484 /nfs/dbraw/zinc/09/74/84/573097484.db2.gz 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/nfs/dbraw/zinc/10/02/58/573100258.db2.gz MKKOGRPKSLALFE-JOYOIKCWSA-N 1 0 191.274 2.279 10 0 AEAERO CCOc1ccc(C)c2c1CC[C@@H]2[NH3+] 238277840 573100289 /nfs/dbraw/zinc/10/02/89/573100289.db2.gz HRCIQOVATFEKQS-JTQLQIEISA-N 1 0 191.274 2.340 10 0 AEAERO C[NH2+][C@@H](C[C@@H](C)OC)c1ccsc1 128666878 573100310 /nfs/dbraw/zinc/10/03/10/573100310.db2.gz XQHYKAVFQZEUCW-SCZZXKLOSA-N 1 0 199.319 2.434 10 0 AEAERO CC[C@@H](c1ccc[nH]1)[NH+](C)C 238279243 573100324 /nfs/dbraw/zinc/10/03/24/573100324.db2.gz WVPQBIPXVJWEMG-VIFPVBQESA-N 1 0 152.241 2.027 10 0 AEAERO CCCCC[C@@H](C)[N@H+](C)C[C@H](C)O 308501634 573100325 /nfs/dbraw/zinc/10/03/25/573100325.db2.gz XFTLYBSISLPASU-MNOVXSKESA-N 1 0 187.327 2.268 10 0 AEAERO CC[C@H](C)[C@H]([NH2+]C)C(C)C 82562077 573100357 /nfs/dbraw/zinc/10/03/57/573100357.db2.gz ANHDZQNLQIOTTO-DTWKUNHWSA-N 1 0 143.274 2.277 10 0 AEAERO C[NH2+]CC1[C@H](C)CCC[C@H]1C 85656969 573100374 /nfs/dbraw/zinc/10/03/74/573100374.db2.gz PAHBOLNPBQHMAK-RKDXNWHRSA-N 1 0 155.285 2.278 10 0 AEAERO COc1ccccc1[C@@]1([NH3+])CC[C@H]1C 85631545 573100379 /nfs/dbraw/zinc/10/03/79/573100379.db2.gz MKKOGRPKSLALFE-BXKDBHETSA-N 1 0 191.274 2.279 10 0 AEAERO CCCCC[C@H](C)[N@H+](C)C[C@H](C)O 308501644 573100399 /nfs/dbraw/zinc/10/03/99/573100399.db2.gz XFTLYBSISLPASU-QWRGUYRKSA-N 1 0 187.327 2.268 10 0 AEAERO COc1cccc([C@H](C)[NH3+])c1SC 257943587 573100424 /nfs/dbraw/zinc/10/04/24/573100424.db2.gz ABAKWFPNJCQKRG-ZETCQYMHSA-N 1 0 197.303 2.437 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](C)C(F)(F)F 308257427 573101036 /nfs/dbraw/zinc/10/10/36/573101036.db2.gz LNCRHCSINFOVBA-BWZBUEFSSA-N 1 0 195.228 2.430 10 0 AEAERO [NH3+][C@@H](CC[C@@H]1CCCCO1)CC1CC1 128660703 573101044 /nfs/dbraw/zinc/10/10/44/573101044.db2.gz NQPVXDZYSFSLAJ-RYUDHWBXSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@H](C)[C@@H]([NH3+])CC(C)C 82561895 573100911 /nfs/dbraw/zinc/10/09/11/573100911.db2.gz YEIWNAWPEHBBAR-IUCAKERBSA-N 1 0 143.274 2.406 10 0 AEAERO C[C@@H]([NH3+])CC1C=CC=CC=C1 104635570 573100955 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Cc1ccc2c(c1)CC[C@]1(C2)C[C@@H]1[NH3+] 257942025 573112261 /nfs/dbraw/zinc/11/22/61/573112261.db2.gz VCEBBDPADARMNW-STQMWFEESA-N 1 0 187.286 2.201 10 0 AEAERO CCC[C@H]1CC[NH2+][C@@](C)(COC)C1 258528660 573112263 /nfs/dbraw/zinc/11/22/63/573112263.db2.gz MHZOLPHRJCTWDU-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO CCc1csc(C[C@@H](CC)C[NH3+])n1 259329526 573112375 /nfs/dbraw/zinc/11/23/75/573112375.db2.gz QDQRLNVCKJKUNP-MRVPVSSYSA-N 1 0 198.335 2.233 10 0 AEAERO CN(C)c1c(F)cccc1C(C)(C)[NH3+] 259333770 573112705 /nfs/dbraw/zinc/11/27/05/573112705.db2.gz FIDVLTRNKARXKX-UHFFFAOYSA-N 1 0 196.269 2.086 10 0 AEAERO C[C@@H](c1ccncc1)[C@@H]([NH3+])[C@H]1C[C@H]1C 85666113 573112712 /nfs/dbraw/zinc/11/27/12/573112712.db2.gz GODGIMUPZCKJTL-LLHIFLOGSA-N 1 0 190.290 2.168 10 0 AEAERO CCc1ccc(OC)c2c1[C@H]([NH3+])CC2 238285846 573112777 /nfs/dbraw/zinc/11/27/77/573112777.db2.gz KRGMRAJYZRHBSJ-SNVBAGLBSA-N 1 0 191.274 2.204 10 0 AEAERO CC(C)=C1CC[C@@H](C[NH3+])C1 104647308 573112842 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187.327 2.436 10 0 AEAERO C[C@H]1C[NH2+][C@H]1c1ccc2ncoc2c1 259332797 573113047 /nfs/dbraw/zinc/11/30/47/573113047.db2.gz UXTLXDSDIFGGCL-WRWORJQWSA-N 1 0 188.230 2.108 10 0 AEAERO CC(C)=C1CC[C@H](C[NH3+])C1 104647302 573113081 /nfs/dbraw/zinc/11/30/81/573113081.db2.gz MQXBOTAOQARSOJ-QMMMGPOBSA-N 1 0 139.242 2.082 10 0 AEAERO CCc1c(C)[nH]c(C=[NH2+])c1CC 238286976 573113084 /nfs/dbraw/zinc/11/30/84/573113084.db2.gz ZBXTWXWPMVRCCQ-UHFFFAOYSA-N 1 0 164.252 2.446 10 0 AEAERO C[C@H]([NH3+])c1cccc2c1N[C@H](C)C2 257944220 573113092 /nfs/dbraw/zinc/11/30/92/573113092.db2.gz DSDMWMFKDMZZFR-SFYZADRCSA-N 1 0 176.263 2.063 10 0 AEAERO C[NH2+]CCCCc1cc(C)[nH]c1C 82587985 573113095 /nfs/dbraw/zinc/11/30/95/573113095.db2.gz ZOXRLCOTMAXNMM-UHFFFAOYSA-N 1 0 180.295 2.174 10 0 AEAERO CCCC[N@@H+]1CC[C@H]([NH2+]C)CC1(C)C 259329952 573113130 /nfs/dbraw/zinc/11/31/30/573113130.db2.gz IUZCMZCLTDJPRA-NSHDSACASA-N 1 0 198.354 2.249 10 0 AEAERO C[C@H]1CC[C@@H](C[NH3+])C1(C)C 104645534 573113600 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CCOc1ccc2c(c1C)[C@H]([NH3+])CC2 238286766 573113324 /nfs/dbraw/zinc/11/33/24/573113324.db2.gz YLFXWWHIKHWGGV-SNVBAGLBSA-N 1 0 191.274 2.340 10 0 AEAERO C[C@H]1CCO[C@@H](c2ccccc2)[NH2+]1 142090210 573113360 /nfs/dbraw/zinc/11/33/60/573113360.db2.gz TXAVXNOOFMDMOA-ONGXEEELSA-N 1 0 177.247 2.084 10 0 AEAERO CCC/C=C(\CC)[C@@H](C)[NH3+] 104643741 573113366 /nfs/dbraw/zinc/11/33/66/573113366.db2.gz QTAFQFHMDGJAAX-KGOFQHAKSA-N 1 0 141.258 2.470 10 0 AEAERO C/C=C/[C@@H](CC)C[C@H](C)[NH3+] 104646782 573113394 /nfs/dbraw/zinc/11/33/94/573113394.db2.gz SZHNVKLQOBJKMX-HNEWHRDISA-N 1 0 141.258 2.326 10 0 AEAERO CC(C)Cc1ccc(C(N)=[NH2+])cc1 82587823 573113397 /nfs/dbraw/zinc/11/33/97/573113397.db2.gz QNCPYKSIVWRRPC-UHFFFAOYSA-N 1 0 176.263 2.169 10 0 AEAERO CC[C@@H]([NH3+])c1csc(F)c1 238286701 573113414 /nfs/dbraw/zinc/11/34/14/573113414.db2.gz RDWBNHYLFKPUFU-ZCFIWIBFSA-N 1 0 159.229 2.297 10 0 AEAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccncc1 77275684 573113445 /nfs/dbraw/zinc/11/34/45/573113445.db2.gz BXGWRMCQFZZQNC-ZYHUDNBSSA-N 1 0 190.290 2.098 10 0 AEAERO [NH3+]C1(C[C@H]2CCCS2)CCC1 257944007 573113465 /nfs/dbraw/zinc/11/34/65/573113465.db2.gz IFZNKPYQYZPHTO-MRVPVSSYSA-N 1 0 171.309 2.154 10 0 AEAERO CC(C)[C@@H]1C[C@H](C)C[C@H]([NH2+]CCO)C1 308261552 573113520 /nfs/dbraw/zinc/11/35/20/573113520.db2.gz LDUZDAGXDASWLS-TUAOUCFPSA-N 1 0 199.338 2.029 10 0 AEAERO CC[C@@H]([NH3+])c1csc(OC)c1 238286759 573113524 /nfs/dbraw/zinc/11/35/24/573113524.db2.gz WBFAPQXSUCDSOI-SSDOTTSWSA-N 1 0 171.265 2.167 10 0 AEAERO C[C@H]1Cc2cccc([C@@H](C)[NH3+])c2N1 257944216 573113535 /nfs/dbraw/zinc/11/35/35/573113535.db2.gz DSDMWMFKDMZZFR-JGVFFNPUSA-N 1 0 176.263 2.063 10 0 AEAERO CC[C@]1(Cc2cccc(O)c2)CC[NH2+]1 257943993 573113976 /nfs/dbraw/zinc/11/39/76/573113976.db2.gz CFXHOTXPHOXPSD-GFCCVEGCSA-N 1 0 191.274 2.077 10 0 AEAERO C[C@H]1C[C@@H]([NH3+])[C@@H](C)C[C@H]1C 104645539 573114079 /nfs/dbraw/zinc/11/40/79/573114079.db2.gz FBIPFXDMJDCOTK-RYPBNFRJSA-N 1 0 141.258 2.016 10 0 AEAERO CC[C@@H]([NH3+])c1coc(Cl)c1 238286326 573114092 /nfs/dbraw/zinc/11/40/92/573114092.db2.gz QBGIKLPSXBOKMJ-ZCFIWIBFSA-N 1 0 159.616 2.343 10 0 AEAERO Cc1nc(C[C@@]2(C)CCC[NH2+]2)cs1 85698591 573114106 /nfs/dbraw/zinc/11/41/06/573114106.db2.gz ZDTJXFZWAVJFFW-SNVBAGLBSA-N 1 0 196.319 2.136 10 0 AEAERO C[Si](C)(C)Nc1cc[nH+]cc1 197991503 573114136 /nfs/dbraw/zinc/11/41/36/573114136.db2.gz WISIJJMERCWRBN-UHFFFAOYSA-N 1 0 166.300 2.328 10 0 AEAERO CCc1ccc(OC)c2c1CC[C@H]2[NH3+] 238286063 573114142 /nfs/dbraw/zinc/11/41/42/573114142.db2.gz HTRSSMIMUHQTLF-SNVBAGLBSA-N 1 0 191.274 2.204 10 0 AEAERO Cc1nc(C[C@]2(C)CCC[NH2+]2)cs1 85698589 573114146 /nfs/dbraw/zinc/11/41/46/573114146.db2.gz ZDTJXFZWAVJFFW-JTQLQIEISA-N 1 0 196.319 2.136 10 0 AEAERO CC[C@]1(c2cnccc2C)CCC[NH2+]1 85698782 573114185 /nfs/dbraw/zinc/11/41/85/573114185.db2.gz KSELLGDRYFTTBI-GFCCVEGCSA-N 1 0 190.290 2.379 10 0 AEAERO CCc1ccc(OC)c2c1CC[C@@H]2[NH3+] 238286001 573114221 /nfs/dbraw/zinc/11/42/21/573114221.db2.gz HTRSSMIMUHQTLF-JTQLQIEISA-N 1 0 191.274 2.204 10 0 AEAERO CC[C@@H]1[NH2+]C(C)(C)O[C@@H]2CCC[C@H]12 238286439 573114242 /nfs/dbraw/zinc/11/42/42/573114242.db2.gz FMZBTSXHPNAVRI-KXUCPTDWSA-N 1 0 183.295 2.290 10 0 AEAERO CC[C@]1(c2ccc(C)nc2)CCC[NH2+]1 85699409 573114249 /nfs/dbraw/zinc/11/42/49/573114249.db2.gz XVTYGEZGKLEALG-GFCCVEGCSA-N 1 0 190.290 2.379 10 0 AEAERO C[C@@H]1CCC[N@@H+](CC(C)(C)[C@@H](C)O)C1 85679876 573114308 /nfs/dbraw/zinc/11/43/08/573114308.db2.gz DBLVUWIRMKVHOQ-GHMZBOCLSA-N 1 0 199.338 2.125 10 0 AEAERO C[NH2+]CC1=CCc2cccc(C)c21 257944375 573114337 /nfs/dbraw/zinc/11/43/37/573114337.db2.gz VKHSZMXEGWPXFP-UHFFFAOYSA-N 1 0 173.259 2.154 10 0 AEAERO CC(C)[NH2+]CCCCc1ccccn1 77277445 573114358 /nfs/dbraw/zinc/11/43/58/573114358.db2.gz NBWVBMJXRBEIPV-UHFFFAOYSA-N 1 0 192.306 2.402 10 0 AEAERO CCC(=[NH2+])N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 717130898 573114413 /nfs/dbraw/zinc/11/44/13/573114413.db2.gz AAZKFOHZNBTCIE-BZNPZCIMSA-N 1 0 166.268 2.008 10 0 AEAERO C[C@H]1Cc2cccc([C@H](C)[NH3+])c2N1 257944222 573114426 /nfs/dbraw/zinc/11/44/26/573114426.db2.gz DSDMWMFKDMZZFR-YUMQZZPRSA-N 1 0 176.263 2.063 10 0 AEAERO c1cncc(CCCC[NH2+]C2CC2)c1 77275804 573114434 /nfs/dbraw/zinc/11/44/34/573114434.db2.gz IMBKQMZXJZWGFO-UHFFFAOYSA-N 1 0 190.290 2.156 10 0 AEAERO CC(C)CCC/C=C/C[NH3+] 104646892 573114437 /nfs/dbraw/zinc/11/44/37/573114437.db2.gz CRQVXRIAGPHHLU-GQCTYLIASA-N 1 0 141.258 2.328 10 0 AEAERO CCCOC[C@@H]([NH2+]CC)[C@@H](C)C1CC1 131919331 573114440 /nfs/dbraw/zinc/11/44/40/573114440.db2.gz CRTSJXWJXOAMLE-CMPLNLGQSA-N 1 0 199.338 2.437 10 0 AEAERO C[C@@H]1CC[C@H](C[NH3+])C1(C)C 104645526 573114477 /nfs/dbraw/zinc/11/44/77/573114477.db2.gz DRYVDWVESLWYFX-HTQZYQBOSA-N 1 0 141.258 2.017 10 0 AEAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccccn1 77275640 573114489 /nfs/dbraw/zinc/11/44/89/573114489.db2.gz AFUWIAJQBJQHOU-ZYHUDNBSSA-N 1 0 190.290 2.098 10 0 AEAERO C/C=C/[C@@H](CC)C[C@@H](C)[NH3+] 104646775 573114493 /nfs/dbraw/zinc/11/44/93/573114493.db2.gz 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2.031 10 0 AEAERO CC(C)[C@H]1CO[C@@H](c2ccccc2)[NH2+]1 142054698 573114852 /nfs/dbraw/zinc/11/48/52/573114852.db2.gz WSZKRHYWXLUCLK-NEPJUHHUSA-N 1 0 191.274 2.330 10 0 AEAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccncc1 77275680 573115298 /nfs/dbraw/zinc/11/52/98/573115298.db2.gz BXGWRMCQFZZQNC-JQWIXIFHSA-N 1 0 190.290 2.098 10 0 AEAERO CCc1ccc2c(c1)[C@H](C)[NH2+]C2 238288577 573115363 /nfs/dbraw/zinc/11/53/63/573115363.db2.gz BGIZVJUDPCDRJQ-QMMMGPOBSA-N 1 0 161.248 2.413 10 0 AEAERO CC[C@@H]1[NH2+]CO[C@H]1c1ccccc1 238288104 573115398 /nfs/dbraw/zinc/11/53/98/573115398.db2.gz ICSRAKNVRKLGGU-QWRGUYRKSA-N 1 0 177.247 2.084 10 0 AEAERO Cc1cc(C)c(O)c(CCCC[NH3+])c1 257954004 573115425 /nfs/dbraw/zinc/11/54/25/573115425.db2.gz BHHVOHLVXIRCBG-UHFFFAOYSA-N 1 0 193.290 2.290 10 0 AEAERO CC[NH2+]C[C@@H](CC)Cc1ccoc1 131911138 573115760 /nfs/dbraw/zinc/11/57/60/573115760.db2.gz IMYGZHKOPANVAY-JTQLQIEISA-N 1 0 181.279 2.458 10 0 AEAERO C[C@@]1(CC2CCC2)CCC[NH2+]1 85698185 573115493 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128845202 573120417 /nfs/dbraw/zinc/12/04/17/573120417.db2.gz CFFKRXMGLYNMKU-GFCCVEGCSA-N 1 0 199.338 2.316 10 0 AEAERO Cc1cc(O)c(F)c([C@@H](C)CC[NH3+])c1 257947644 573120421 /nfs/dbraw/zinc/12/04/21/573120421.db2.gz AMIWWKHWAJEQFO-QMMMGPOBSA-N 1 0 197.253 2.292 10 0 AEAERO CSCc1ncn2c1CCCC2 258234841 573120428 /nfs/dbraw/zinc/12/04/28/573120428.db2.gz LBKVTAVSFKCGPB-UHFFFAOYSA-N 1 0 182.292 2.082 10 0 AEAERO COc1c(C)ccc([C@H](C)[NH3+])c1C 257947219 573120433 /nfs/dbraw/zinc/12/04/33/573120433.db2.gz FFSJTJYFVKCEDU-VIFPVBQESA-N 1 0 179.263 2.332 10 0 AEAERO Cc1cc(F)c(CC2([NH3+])CC2)cc1C 257947742 573120439 /nfs/dbraw/zinc/12/04/39/573120439.db2.gz AOONCLGZNIBSPM-UHFFFAOYSA-N 1 0 193.265 2.476 10 0 AEAERO CC[NH2+]C[C@@](C)(O)C1CCCCCC1 128841972 573120452 /nfs/dbraw/zinc/12/04/52/573120452.db2.gz QRVRGXXNIBYNDY-GFCCVEGCSA-N 1 0 199.338 2.317 10 0 AEAERO CCCc1csc(C[C@@H](C)C[NH3+])n1 259330689 573120454 /nfs/dbraw/zinc/12/04/54/573120454.db2.gz RXJQPNCMSYAQHQ-MRVPVSSYSA-N 1 0 198.335 2.233 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2.046 10 0 AEAERO C[NH+](C)C(C)(C)[C@H](N)c1cccs1 85737103 573129969 /nfs/dbraw/zinc/12/99/69/573129969.db2.gz PAZAUUGBUTUKDD-SECBINFHSA-N 1 0 198.335 2.088 10 0 AEAERO C[C@]1(c2cccc(F)c2F)C[C@@H]1C[NH3+] 235720098 573129978 /nfs/dbraw/zinc/12/99/78/573129978.db2.gz OVOVYRAMAYCGAA-HQJQHLMTSA-N 1 0 197.228 2.201 10 0 AEAERO C[C@@H]1CC[C@H]([NH3+])C(C)(C)C1 104658104 573130012 /nfs/dbraw/zinc/13/00/12/573130012.db2.gz MNCWMFTXBQAIOD-SFYZADRCSA-N 1 0 141.258 2.160 10 0 AEAERO Cc1cc(C)c(CCC2([NH3+])CC2)[nH]1 257949319 573130021 /nfs/dbraw/zinc/13/00/21/573130021.db2.gz VZKVJCWGSHRVNW-UHFFFAOYSA-N 1 0 178.279 2.055 10 0 AEAERO C[NH2+][C@@H]1CC[C@H]1c1ccccc1C 257949360 573130067 /nfs/dbraw/zinc/13/00/67/573130067.db2.gz WAJREXHCBQEFAD-NWDGAFQWSA-N 1 0 175.275 2.460 10 0 AEAERO CCC(CC)C[C@]1(CO)CCC[NH2+]C1 128854493 573130154 /nfs/dbraw/zinc/13/01/54/573130154.db2.gz SOYQIBOFUHEZAD-GFCCVEGCSA-N 1 0 199.338 2.175 10 0 AEAERO C[C@H](O)CCCC1(C[NH3+])CCCC1 308272876 573130177 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CC1=C[C@H]([NH3+])C(C)(C)CC1 104658122 573131606 /nfs/dbraw/zinc/13/16/06/573131606.db2.gz YJEPUNDODJBAAQ-QMMMGPOBSA-N 1 0 139.242 2.080 10 0 AEAERO CCC(CC)C[C@@]1(CO)CCC[NH2+]C1 128854686 573131642 /nfs/dbraw/zinc/13/16/42/573131642.db2.gz SOYQIBOFUHEZAD-LBPRGKRZSA-N 1 0 199.338 2.175 10 0 AEAERO C[NH2+][C@H]1C[C@@H](C)c2c(OC)cccc21 82618044 573131646 /nfs/dbraw/zinc/13/16/46/573131646.db2.gz LYEXHKHYJKLLFH-SCZZXKLOSA-N 1 0 191.274 2.463 10 0 AEAERO CC1(C[NH2+][C@H]2CCC[C@@H]2O)CCCC1 82625509 573131661 /nfs/dbraw/zinc/13/16/61/573131661.db2.gz XWDSLZYPANWALC-QWRGUYRKSA-N 1 0 197.322 2.070 10 0 AEAERO CCC[NH2+][C@@H](C[C@@H](C)OC)C(C)C 128778358 573131692 /nfs/dbraw/zinc/13/16/92/573131692.db2.gz INZTXYFFTPIBNU-MNOVXSKESA-N 1 0 187.327 2.436 10 0 AEAERO CO[C@H](C)c1ccccc1[C@@H](C)[NH3+] 259336764 573131693 /nfs/dbraw/zinc/13/16/93/573131693.db2.gz FKQJEZGMYWFCFI-RKDXNWHRSA-N 1 0 179.263 2.414 10 0 AEAERO CC[C@H]1C[C@H](C[NH3+])C1(C)C 104655847 573131694 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1 0 197.322 2.335 10 0 AEAERO Nc1ccc(F)c([C@H]2CCCC[NH2+]2)c1 104681697 573179568 /nfs/dbraw/zinc/17/95/68/573179568.db2.gz XMXAIOGEHDFYAN-LLVKDONJSA-N 1 0 194.253 2.223 10 0 AEAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@]1(C)CO 129008946 573179621 /nfs/dbraw/zinc/17/96/21/573179621.db2.gz KIAHPMPLKVCLKR-TUAOUCFPSA-N 1 0 199.338 2.173 10 0 AEAERO CCc1cccc2c1O[C@H](CC)[C@H]2[NH3+] 82760027 573179669 /nfs/dbraw/zinc/17/96/69/573179669.db2.gz LORKUJOTZQDJGV-MNOVXSKESA-N 1 0 191.274 2.420 10 0 AEAERO C[C@H](C[NH3+])[C@@H]1c2cocc2C[C@H]1C 257744651 573179770 /nfs/dbraw/zinc/17/97/70/573179770.db2.gz SQQFAABAWMUZGY-SOCHQFKDSA-N 1 0 179.263 2.150 10 0 AEAERO Nc1cccc(F)c1[C@H]1CCCC[NH2+]1 104681685 573179772 /nfs/dbraw/zinc/17/97/72/573179772.db2.gz RCTHZQVRFLLMLU-SNVBAGLBSA-N 1 0 194.253 2.223 10 0 AEAERO [NH3+][C@@H](CC1CC1)c1ccc[nH]c1=S 104680283 573179800 /nfs/dbraw/zinc/17/98/00/573179800.db2.gz INQXXAITLTYXRZ-VIFPVBQESA-N 1 0 194.303 2.170 10 0 AEAERO C1C[C@H]2C[C@@H]3[NH2+]CC[C@H]3C[C@H]2C1 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1 0 179.263 2.153 10 0 AEAERO C[C@]1(c2cccnc2)CCCCC[NH2+]1 85874909 573180336 /nfs/dbraw/zinc/18/03/36/573180336.db2.gz JEAOWMKWBQNPFM-GFCCVEGCSA-N 1 0 190.290 2.460 10 0 AEAERO CSCC[NH2+]C[C@@H](C)C(C)C 128979805 573180343 /nfs/dbraw/zinc/18/03/43/573180343.db2.gz YEMQSRNQODYAQL-SECBINFHSA-N 1 0 175.341 2.231 10 0 AEAERO Nc1ccc([C@@H]([NH3+])CC2CC2)cc1F 104680966 573180384 /nfs/dbraw/zinc/18/03/84/573180384.db2.gz ZVWMRHMLSBTPSA-NSHDSACASA-N 1 0 194.253 2.208 10 0 AEAERO CCc1csc(C[C@H](C)CC[NH3+])n1 259357398 573180389 /nfs/dbraw/zinc/18/03/89/573180389.db2.gz RVMDILWXNQUFGH-MRVPVSSYSA-N 1 0 198.335 2.233 10 0 AEAERO COc1cc(CC2([NH3+])CC2)ccc1C 257962488 573180415 /nfs/dbraw/zinc/18/04/15/573180415.db2.gz BWTJZGLZRVUNIK-UHFFFAOYSA-N 1 0 191.274 2.037 10 0 AEAERO Cc1cc2c(s1)C(=O)CC[C@H]2[NH3+] 104679181 573180420 /nfs/dbraw/zinc/18/04/20/573180420.db2.gz UEAJGSQIWFPCRO-SSDOTTSWSA-N 1 0 181.260 2.033 10 0 AEAERO FC(F)[C@@H]1CC2(CCCC2)C[NH2+]1 257962252 573180464 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10 0 AEAERO C[C@@]1(C2CCOCC2)CCCCC[NH2+]1 85874099 573180653 /nfs/dbraw/zinc/18/06/53/573180653.db2.gz GMNWVKHYCBKQPI-LBPRGKRZSA-N 1 0 197.322 2.335 10 0 AEAERO C[NH2+][C@@H]1COC[C@@H]1C[C@@H](C)CC(C)C 687955930 573180863 /nfs/dbraw/zinc/18/08/63/573180863.db2.gz XNWOOJLLSKDLPM-SDDRHHMPSA-N 1 0 199.338 2.293 10 0 AEAERO CC(C)(C)CCC[NH2+]C[C@@H]1CCOC1 128979181 573180886 /nfs/dbraw/zinc/18/08/86/573180886.db2.gz UKBXZZIHLHUWLL-NSHDSACASA-N 1 0 199.338 2.439 10 0 AEAERO CCOCCC[C@@H](C)C[NH2+]C(C)C 82763882 573180880 /nfs/dbraw/zinc/18/08/80/573180880.db2.gz VPQWAOPFUBUSOX-LLVKDONJSA-N 1 0 187.327 2.437 10 0 AEAERO CCc1cccc2c1[C@@H]([NH3+])CCN2 238305819 573180893 /nfs/dbraw/zinc/18/08/93/573180893.db2.gz IWWHIZPRTFPJRM-VIFPVBQESA-N 1 0 176.263 2.064 10 0 AEAERO [NH3+][C@H](CC1CC1)c1ccc[nH]c1=S 104680279 573180915 /nfs/dbraw/zinc/18/09/15/573180915.db2.gz INQXXAITLTYXRZ-SECBINFHSA-N 1 0 194.303 2.170 10 0 AEAERO CC(C)Oc1ccc2c(c1)CC[C@@H]2[NH3+] 104679255 573180946 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CCc1c(OC)ccc2c1CC[C@@H]2[NH3+] 238305396 573181322 /nfs/dbraw/zinc/18/13/22/573181322.db2.gz OUFFHYACJDBAJB-NSHDSACASA-N 1 0 191.274 2.204 10 0 AEAERO CC(C)(C[NH3+])[C@@H](F)C1CCCC1 257962151 573181347 /nfs/dbraw/zinc/18/13/47/573181347.db2.gz XMLYZTPJIONQJR-VIFPVBQESA-N 1 0 173.275 2.500 10 0 AEAERO CC(C)c1nc(C(C)(C)C[NH3+])co1 258572453 573181350 /nfs/dbraw/zinc/18/13/50/573181350.db2.gz KAYXIRJDCZCCQJ-UHFFFAOYSA-N 1 0 182.267 2.034 10 0 AEAERO CC[C@]1([C@H]2CCOC2)CCCCC[NH2+]1 85875229 573181408 /nfs/dbraw/zinc/18/14/08/573181408.db2.gz OEFWBUFZXNLEII-NWDGAFQWSA-N 1 0 197.322 2.335 10 0 AEAERO Cc1ccc(F)c(C[C@@H](C)C[NH3+])c1 82763060 573181434 /nfs/dbraw/zinc/18/14/34/573181434.db2.gz USNKDWYCMKYBNW-SECBINFHSA-N 1 0 181.254 2.271 10 0 AEAERO Cc1ccc(F)cc1C[C@@H](C)C[NH3+] 82763024 573181515 /nfs/dbraw/zinc/18/15/15/573181515.db2.gz WRCJOUHDLFATLT-MRVPVSSYSA-N 1 0 181.254 2.271 10 0 AEAERO C[NH2+]CC[C@@H](F)C1CCCC1 258485947 573181552 /nfs/dbraw/zinc/18/15/52/573181552.db2.gz 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193.315 2.225 10 0 AEAERO CCC[C@H](O)C[NH2+]C[C@@H](C)C(C)C 308297185 573186390 /nfs/dbraw/zinc/18/63/90/573186390.db2.gz WXYZPEZDFZKMIM-MNOVXSKESA-N 1 0 187.327 2.029 10 0 AEAERO CO[C@H](C)CCNC(=[NH2+])C(C)(C)C 308299200 573187805 /nfs/dbraw/zinc/18/78/05/573187805.db2.gz ZUWGEUFMRKZAAT-MRVPVSSYSA-N 1 0 186.299 2.024 10 0 AEAERO CCc1c(F)ccn2c[nH+]cc12 238300719 573190606 /nfs/dbraw/zinc/19/06/06/573190606.db2.gz ZDYRMMAGNIKHHR-UHFFFAOYSA-N 1 0 164.183 2.036 10 0 AEAERO C[C@H]1[NH2+]Cc2cccc3c2[C@H]1CCO3 82784480 573187102 /nfs/dbraw/zinc/18/71/02/573187102.db2.gz YQYPTFNCJLSMGV-SCZZXKLOSA-N 1 0 189.258 2.044 10 0 AEAERO C[C@@H]1[NH2+]Cc2cccc3c2[C@H]1CCO3 82784481 573187111 /nfs/dbraw/zinc/18/71/11/573187111.db2.gz YQYPTFNCJLSMGV-WPRPVWTQSA-N 1 0 189.258 2.044 10 0 AEAERO C/C=C/C[NH2+][C@@H]1CCCC[C@H]1OC 308299524 573187812 /nfs/dbraw/zinc/18/78/12/573187812.db2.gz JMMMWVMJJGPXRZ-YIZUVKHSSA-N 1 0 183.295 2.110 10 0 AEAERO C[C@@H](F)c1cc([C@@H](C)C[NH3+])ccc1O 257962657 573187155 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AEAERO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@H](O)C1 308514595 573187775 /nfs/dbraw/zinc/18/77/75/573187775.db2.gz MLEMGYLMRBHTJP-WOPDTQHZSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@@H]1[NH2+]C[C@H]2CCOc3cccc1c32 82784771 573187860 /nfs/dbraw/zinc/18/78/60/573187860.db2.gz HAUZFQUWUJWKIF-DTWKUNHWSA-N 1 0 189.258 2.217 10 0 AEAERO C[C@H]([NH3+])[C@H]1c2cscc2C[C@@H]1C 257743724 573187871 /nfs/dbraw/zinc/18/78/71/573187871.db2.gz QRKUGNBKJVCBSK-BYULHYEWSA-N 1 0 181.304 2.371 10 0 AEAERO CC(C)C[C@@H]1C[C@@H](C)C[NH2+]1 104692361 573187906 /nfs/dbraw/zinc/18/79/06/573187906.db2.gz RUJMNTVZCBFBPL-RKDXNWHRSA-N 1 0 141.258 2.031 10 0 AEAERO CC[NH2+][C@@H]1CCO[C@H]([C@H](C)C(C)C)C1 308514062 573188005 /nfs/dbraw/zinc/18/80/05/573188005.db2.gz MEBHGRPPKYIINO-UTUOFQBUSA-N 1 0 199.338 2.436 10 0 AEAERO Cc1cccc2c1[C@@H](C)C[NH2+]C2 82784361 573188033 /nfs/dbraw/zinc/18/80/33/573188033.db2.gz SNCIAOFWIKNTMG-VIFPVBQESA-N 1 0 161.248 2.202 10 0 AEAERO CCC[C@@H](O)C[NH2+]C[C@@H](C)C(C)C 308297184 573188039 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2.172 10 0 AEAERO CCC1=C[C@@H](CC)[NH2+]CC1 104691259 573188288 /nfs/dbraw/zinc/18/82/88/573188288.db2.gz CQDLSULUOOHSST-SECBINFHSA-N 1 0 139.242 2.095 10 0 AEAERO CCC(C)(C)[NH2+][C@@H](C)c1ncc[nH]1 308296859 573188304 /nfs/dbraw/zinc/18/83/04/573188304.db2.gz KJOFVLASGRRRCL-QMMMGPOBSA-N 1 0 181.283 2.249 10 0 AEAERO CCC/C=C\C[C@@H](C)[NH3+] 78322836 573188323 /nfs/dbraw/zinc/18/83/23/573188323.db2.gz YKZXNHQJMQVCIR-RPSMYOMKSA-N 1 0 127.231 2.080 10 0 AEAERO C[C@H](CO)CC1(C[NH3+])CCCCCC1 308513971 573188411 /nfs/dbraw/zinc/18/84/11/573188411.db2.gz DIURVTZIRLPYNU-NSHDSACASA-N 1 0 199.338 2.304 10 0 AEAERO CCC[NH2+][C@H](C)[C@H](CC)[C@@H]1CCOC1 308514038 573188418 /nfs/dbraw/zinc/18/84/18/573188418.db2.gz DKNNZMNMZRTXOU-UTUOFQBUSA-N 1 0 199.338 2.437 10 0 AEAERO CCc1cccc(Cl)c1CC[NH3+] 238299997 573188423 /nfs/dbraw/zinc/18/84/23/573188423.db2.gz MOYOHBSIJQWWNF-UHFFFAOYSA-N 1 0 183.682 2.404 10 0 AEAERO COc1ccc2c(c1)C[NH2+][C@@H](C)[C@H]2C 82784395 573188502 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/nfs/dbraw/zinc/20/99/45/573209945.db2.gz QAKWBBMGLCNTAF-JTQLQIEISA-N 1 0 185.311 2.143 10 0 AEAERO CC[C@@H]([NH3+])CN(C)c1cccc(C)c1 49991162 573209967 /nfs/dbraw/zinc/20/99/67/573209967.db2.gz RILVKEQDGZULJH-LLVKDONJSA-N 1 0 192.306 2.169 10 0 AEAERO C[C@@H]([NH3+])CC(C)(C)c1cccnc1 82816335 573209970 /nfs/dbraw/zinc/20/99/70/573209970.db2.gz WESMPLONRFVGRJ-SECBINFHSA-N 1 0 178.279 2.097 10 0 AEAERO C[C@H]1CCC[C@@]1(O)C1(C[NH3+])CCCC1 85922556 573210068 /nfs/dbraw/zinc/21/00/68/573210068.db2.gz BGRZZXNPWALAAA-JQWIXIFHSA-N 1 0 197.322 2.057 10 0 AEAERO C[C@H]([NH3+])CC(C)(C)c1ccoc1 82816470 573210069 /nfs/dbraw/zinc/21/00/69/573210069.db2.gz GYGBFTYWJRQVKG-QMMMGPOBSA-N 1 0 167.252 2.295 10 0 AEAERO C[C@@H]1CCC[C@]1(O)C1(C[NH3+])CCCC1 85922549 573210080 /nfs/dbraw/zinc/21/00/80/573210080.db2.gz BGRZZXNPWALAAA-ZYHUDNBSSA-N 1 0 197.322 2.057 10 0 AEAERO C[C@H](O)C[C@H](C)[NH+]1CCCCCC1 82814780 573210102 /nfs/dbraw/zinc/21/01/02/573210102.db2.gz FVMFVKDNPQIDGS-QWRGUYRKSA-N 1 0 185.311 2.022 10 0 AEAERO Cc1nc(C(C)(C)C)sc1CC[NH3+] 85955809 573210109 /nfs/dbraw/zinc/21/01/09/573210109.db2.gz BDGYUBKNWIJQKM-UHFFFAOYSA-N 1 0 198.335 2.250 10 0 AEAERO C[C@@H](O)C[C@@H](C)[NH+]1CCC(C)(C)CC1 82815147 573210111 /nfs/dbraw/zinc/21/01/11/573210111.db2.gz KDWOWVLPMUHTKM-GHMZBOCLSA-N 1 0 199.338 2.268 10 0 AEAERO C[C@@H](O)C[C@@H](C)[N@@H+]1CCCC(C)(C)C1 82815270 573210141 /nfs/dbraw/zinc/21/01/41/573210141.db2.gz BVJHTMPAORFLEC-GHMZBOCLSA-N 1 0 199.338 2.268 10 0 AEAERO Cc1nc([C@H]2C[C@@H]2C)sc1CC[NH3+] 85955861 573210175 /nfs/dbraw/zinc/21/01/75/573210175.db2.gz QNPAOLJBZOOLCB-XPUUQOCRSA-N 1 0 196.319 2.076 10 0 AEAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])COC 132090494 573210177 /nfs/dbraw/zinc/21/01/77/573210177.db2.gz RRJCDPFCMNCVJK-NEPJUHHUSA-N 1 0 193.290 2.154 10 0 AEAERO CC1CCC(C[NH3+])(C2(O)CCC2)CC1 85926736 573210198 /nfs/dbraw/zinc/21/01/98/573210198.db2.gz RTKZOVUGGYZBLD-UHFFFAOYSA-N 1 0 197.322 2.057 10 0 AEAERO C[NH2+][C@@H](COC)c1c(C)oc(C)c1C 132097079 573210210 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1 0 199.338 2.159 10 0 AEAERO Cc1nc([C@H]2C[C@H]2C)sc1CC[NH3+] 85955864 573210432 /nfs/dbraw/zinc/21/04/32/573210432.db2.gz QNPAOLJBZOOLCB-SVRRBLITSA-N 1 0 196.319 2.076 10 0 AEAERO COc1c([C@@H](C)[NH3+])ccc(C)c1F 257970961 573210443 /nfs/dbraw/zinc/21/04/43/573210443.db2.gz CTBYKPDSTSNIHS-SSDOTTSWSA-N 1 0 183.226 2.162 10 0 AEAERO C[C@@H]1CCC[C@@]1(O)C1(C[NH3+])CCCC1 85922555 573210449 /nfs/dbraw/zinc/21/04/49/573210449.db2.gz BGRZZXNPWALAAA-PWSUYJOCSA-N 1 0 197.322 2.057 10 0 AEAERO C[C@H]1COc2ccc(CCC[NH3+])cc21 257972344 573210460 /nfs/dbraw/zinc/21/04/60/573210460.db2.gz GOAZWCURXHXUGR-VIFPVBQESA-N 1 0 191.274 2.074 10 0 AEAERO C[NH2+][C@@H](C)C[C@H](C)C1CC1 82809129 573210534 /nfs/dbraw/zinc/21/05/34/573210534.db2.gz YTGSRIWOZXNKHT-YUMQZZPRSA-N 1 0 141.258 2.031 10 0 AEAERO C[C@@H](C[C@@H](C)O)[N@@H+]1CCCC(C)(C)C1 82815269 573210509 /nfs/dbraw/zinc/21/05/09/573210509.db2.gz BVJHTMPAORFLEC-WDEREUQCSA-N 1 0 199.338 2.268 10 0 AEAERO CSCc1cccc2c1C[NH2+]C2 257972599 573210514 /nfs/dbraw/zinc/21/05/14/573210514.db2.gz DMDHNZUWKFMDFJ-UHFFFAOYSA-N 1 0 179.288 2.153 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](CCOC)C(C)C 393659282 573210527 /nfs/dbraw/zinc/21/05/27/573210527.db2.gz QUIDDTSANDZFJO-UTUOFQBUSA-N 1 0 199.338 2.436 10 0 AEAERO C[C@@H](C[C@@H](C)[NH3+])c1ccco1 82808596 573210528 /nfs/dbraw/zinc/21/05/28/573210528.db2.gz KAMBOUYRPNBELT-JGVFFNPUSA-N 1 0 153.225 2.120 10 0 AEAERO C[C@@H]1CCC[C@H]([C@H](O)C(C)(C)C[NH3+])C1 85923762 573210545 /nfs/dbraw/zinc/21/05/45/573210545.db2.gz WSBAQFHVSHIZBR-VWYCJHECSA-N 1 0 199.338 2.159 10 0 AEAERO C[NH2+]Cc1ncoc1[C@@H](C)C(C)C 85940504 573210942 /nfs/dbraw/zinc/21/09/42/573210942.db2.gz JMJGCKLKEBMYNK-QMMMGPOBSA-N 1 0 182.267 2.154 10 0 AEAERO C1=CC=C2C=C[NH2+]C=C2C=C1 104710748 573210579 /nfs/dbraw/zinc/21/05/79/573210579.db2.gz CDZCREIHDRCTHZ-UHFFFAOYSA-N 1 0 143.189 2.040 10 0 AEAERO Cc1cc([C@@H](C)[NH3+])ccc1OCCF 125898405 573210584 /nfs/dbraw/zinc/21/05/84/573210584.db2.gz CCBWGTVDBLILHV-SECBINFHSA-N 1 0 197.253 2.363 10 0 AEAERO [NH3+]C/C=C/c1cccc(F)c1Cl 257970966 573210587 /nfs/dbraw/zinc/21/05/87/573210587.db2.gz CTFLVOXCAKFUJU-DUXPYHPUSA-N 1 0 185.629 2.451 10 0 AEAERO C[C@H]1CCC[C@](O)(C(C)(C)C[NH3+])CC1 85923006 573210606 /nfs/dbraw/zinc/21/06/06/573210606.db2.gz FVDYSYOSCIXFKJ-CMPLNLGQSA-N 1 0 199.338 2.303 10 0 AEAERO C[NH2+][C@H](C)C[C@H](C)C(C)C 82809591 573210609 /nfs/dbraw/zinc/21/06/09/573210609.db2.gz KYLDDOYKTQBVEL-DTWKUNHWSA-N 1 0 143.274 2.277 10 0 AEAERO Cc1ccc(C(C)(C)C[C@H](C)[NH3+])cn1 82816365 573210643 /nfs/dbraw/zinc/21/06/43/573210643.db2.gz GEHMGNCMPDBCEX-VIFPVBQESA-N 1 0 192.306 2.405 10 0 AEAERO COC[C@]1(C(C)(C)C)CCCC[NH2+]1 257972654 573210644 /nfs/dbraw/zinc/21/06/44/573210644.db2.gz IMMBOXMLZKJBMN-NSHDSACASA-N 1 0 185.311 2.191 10 0 AEAERO CCc1cc(CC)c2[nH+]cc(N)n2c1 238307477 573210656 /nfs/dbraw/zinc/21/06/56/573210656.db2.gz KHETWSAQNZCZRB-UHFFFAOYSA-N 1 0 189.262 2.041 10 0 AEAERO CCC/C=C\[C@H]1CCC[NH2+]1 104709799 573210660 /nfs/dbraw/zinc/21/06/60/573210660.db2.gz XIVXNLABAPXPKT-RNEXMXFGSA-N 1 0 139.242 2.095 10 0 AEAERO CCc1c[nH]c2c(=[NH2+])ccccc12 238307320 573210679 /nfs/dbraw/zinc/21/06/79/573210679.db2.gz KNZDGTJSZSEMCK-UHFFFAOYSA-N 1 0 172.231 2.210 10 0 AEAERO CCC(C)(C)C[N@H+](C)CC(C)(C)O 308308827 573210685 /nfs/dbraw/zinc/21/06/85/573210685.db2.gz PVLVXTVXZUYQKH-UHFFFAOYSA-N 1 0 187.327 2.125 10 0 AEAERO C[NH2+][C@H](C)C[C@@H](C)C1CCOCC1 82808749 573210700 /nfs/dbraw/zinc/21/07/00/573210700.db2.gz JEAYGIDDGMFXFQ-NXEZZACHSA-N 1 0 185.311 2.047 10 0 AEAERO C[C@H]([NH3+])C[C@@H](C)c1ccco1 82808602 573210705 /nfs/dbraw/zinc/21/07/05/573210705.db2.gz KAMBOUYRPNBELT-SFYZADRCSA-N 1 0 153.225 2.120 10 0 AEAERO C[C@H]([NH3+])CC(C)(C)C1CC1 82816368 573210725 /nfs/dbraw/zinc/21/07/25/573210725.db2.gz KDDDITWXQBPWEE-ZETCQYMHSA-N 1 0 141.258 2.160 10 0 AEAERO [NH3+]CCCCc1cccc(CF)c1 257972666 573210745 /nfs/dbraw/zinc/21/07/45/573210745.db2.gz IMPZIPZVDJUSCZ-UHFFFAOYSA-N 1 0 181.254 2.438 10 0 AEAERO C[C@H](F)Oc1ccc2c(c1)C[NH2+]CC2 257971024 573210761 /nfs/dbraw/zinc/21/07/61/573210761.db2.gz KDCRYNAINYTTPA-MRVPVSSYSA-N 1 0 195.237 2.027 10 0 AEAERO C[C@@H]1CC[C@@H](C)[C@](O)(C(C)(C)C[NH3+])C1 85922197 573210806 /nfs/dbraw/zinc/21/08/06/573210806.db2.gz GVFKLBOIMGKOSQ-FOGDFJRCSA-N 1 0 199.338 2.159 10 0 AEAERO C[C@@H]([NH3+])CC(C)(C)c1cncc(F)c1 82816367 573210815 /nfs/dbraw/zinc/21/08/15/573210815.db2.gz QMOCQBWCVKKASY-MRVPVSSYSA-N 1 0 196.269 2.236 10 0 AEAERO Cc1cc([C@H](C)[NH3+])ccc1OCCF 125898638 573210824 /nfs/dbraw/zinc/21/08/24/573210824.db2.gz CCBWGTVDBLILHV-VIFPVBQESA-N 1 0 197.253 2.363 10 0 AEAERO CCC[C@H](C)[NH2+][C@H]1CCN(C)C[C@@H]1C 131848067 573210889 /nfs/dbraw/zinc/21/08/89/573210889.db2.gz MPBKTNWWNGAXIX-SRVKXCTJSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@H](O)C[C@H](C)[NH+]1CCC(C)(C)CC1 82815148 573210902 /nfs/dbraw/zinc/21/09/02/573210902.db2.gz KDWOWVLPMUHTKM-QWRGUYRKSA-N 1 0 199.338 2.268 10 0 AEAERO C[NH2+]Cc1ncoc1C1CCCC1 85940186 573210921 /nfs/dbraw/zinc/21/09/21/573210921.db2.gz PQQHVDVFAGNAAH-UHFFFAOYSA-N 1 0 180.251 2.052 10 0 AEAERO [NH3+]Cc1cc([C@H]2CCCCS2)on1 259372831 573211005 /nfs/dbraw/zinc/21/10/05/573211005.db2.gz VMLUMJYIYQJMSV-SECBINFHSA-N 1 0 198.291 2.092 10 0 AEAERO Cc1nc(C2CCC2)sc1CC[NH3+] 85955876 573211015 /nfs/dbraw/zinc/21/10/15/573211015.db2.gz UMLUALYKNOBJQD-UHFFFAOYSA-N 1 0 196.319 2.220 10 0 AEAERO C[C@H]1CC[C@@H](C)C[C@@]1(O)C(C)(C)C[NH3+] 85922193 573211043 /nfs/dbraw/zinc/21/10/43/573211043.db2.gz GVFKLBOIMGKOSQ-SCVCMEIPSA-N 1 0 199.338 2.159 10 0 AEAERO CC[C@H](C[NH3+])[C@]1(O)C[C@H](C)CC[C@@H]1C 85922225 573211457 /nfs/dbraw/zinc/21/14/57/573211457.db2.gz XRJLEPADYASSQA-KXNHARMFSA-N 1 0 199.338 2.159 10 0 AEAERO CC(C)c1cncc(C[C@@H](C)[NH3+])c1 259376098 573211134 /nfs/dbraw/zinc/21/11/34/573211134.db2.gz QTIJHPDPAOTNLJ-SECBINFHSA-N 1 0 178.279 2.095 10 0 AEAERO C[NH2+][C@H](C)C[C@@H](C)C1CC1 82809127 573211159 /nfs/dbraw/zinc/21/11/59/573211159.db2.gz YTGSRIWOZXNKHT-HTQZYQBOSA-N 1 0 141.258 2.031 10 0 AEAERO [NH3+]C/C=C/c1ccc2cc[nH]c2c1 257971467 573211215 /nfs/dbraw/zinc/21/12/15/573211215.db2.gz IJVVDJBMRSADGF-OWOJBTEDSA-N 1 0 172.231 2.140 10 0 AEAERO C[C@@H](O)C[C@@H](C)[NH+]1CCCCCCC1 82814813 573211238 /nfs/dbraw/zinc/21/12/38/573211238.db2.gz FYYYNQLSCAWILH-VXGBXAGGSA-N 1 0 199.338 2.412 10 0 AEAERO [NH3+]Cc1ncoc1CCC1CCCC1 85939776 573211279 /nfs/dbraw/zinc/21/12/79/573211279.db2.gz IWXSKQITGHOVBI-UHFFFAOYSA-N 1 0 194.278 2.256 10 0 AEAERO CC(C)C(C)(C)C[C@H](C)[NH3+] 82816371 573211282 /nfs/dbraw/zinc/21/12/82/573211282.db2.gz VINDIWISUFORAE-QMMMGPOBSA-N 1 0 143.274 2.406 10 0 AEAERO C[NH2+]CNc1cc(Cl)ccc1C 258587310 573211293 /nfs/dbraw/zinc/21/12/93/573211293.db2.gz FVPMOGKHBWHLPD-UHFFFAOYSA-N 1 0 184.670 2.237 10 0 AEAERO CC(C)[C@H]1CCC[C@@](O)(CC[NH3+])CC1 85923286 573211300 /nfs/dbraw/zinc/21/13/00/573211300.db2.gz MYOSUNBGTBSOCT-RYUDHWBXSA-N 1 0 199.338 2.303 10 0 AEAERO C[C@@H](O)C[C@@H](C)[N@@H+]1CCCC1(C)C 82815203 573211368 /nfs/dbraw/zinc/21/13/68/573211368.db2.gz HFWVASNENMXSED-NXEZZACHSA-N 1 0 185.311 2.020 10 0 AEAERO C[NH2+][C@@H](C)C[C@@H](C)C1CC1 82809132 573211397 /nfs/dbraw/zinc/21/13/97/573211397.db2.gz YTGSRIWOZXNKHT-SFYZADRCSA-N 1 0 141.258 2.031 10 0 AEAERO C[C@H](O)C[C@@H](C)[N@@H+]1CCCC1(C)C 82815205 573211404 /nfs/dbraw/zinc/21/14/04/573211404.db2.gz HFWVASNENMXSED-ZJUUUORDSA-N 1 0 185.311 2.020 10 0 AEAERO Cc1cc(O)cc(C2([C@H](C)[NH3+])CC2)c1 257971050 573213362 /nfs/dbraw/zinc/21/33/62/573213362.db2.gz CVJUOXUOMCRVFV-VIFPVBQESA-N 1 0 191.274 2.079 10 0 AEAERO CCc1c[nH]c2/c(=[NH+]/C)ccccc12 238307338 573214052 /nfs/dbraw/zinc/21/40/52/573214052.db2.gz WMLJGGTURYKFMR-ACCUITESSA-N 1 0 186.258 2.261 10 0 AEAERO CCc1cc(CC)c2c(c1)[C@@H]([NH3+])CO2 238307316 573214077 /nfs/dbraw/zinc/21/40/77/573214077.db2.gz VJLIOXXAPDPVHK-NSHDSACASA-N 1 0 191.274 2.204 10 0 AEAERO CCCCCC[C@@H](O)[C@H]([NH3+])CC 129058709 573214086 /nfs/dbraw/zinc/21/40/86/573214086.db2.gz BPQQFIWKRLMUEW-NXEZZACHSA-N 1 0 173.300 2.055 10 0 AEAERO CC(C)CS[C@H]1CC[C@@H]([NH3+])C1 82820615 573214090 /nfs/dbraw/zinc/21/40/90/573214090.db2.gz HONNRITXPZNJHK-BDAKNGLRSA-N 1 0 173.325 2.255 10 0 AEAERO CC[C@@H]1C[C@H]1[NH2+][C@@H](CCOC)C(C)C 393659278 573213393 /nfs/dbraw/zinc/21/33/93/573213393.db2.gz QUIDDTSANDZFJO-GRYCIOLGSA-N 1 0 199.338 2.436 10 0 AEAERO CCCCS[C@H]1CC[C@H]([NH3+])C1 82820597 573213397 /nfs/dbraw/zinc/21/33/97/573213397.db2.gz AAPMYKQAXKWDEM-IUCAKERBSA-N 1 0 173.325 2.400 10 0 AEAERO CC[C@@H]([NH3+])[C@H](O)CC1CCCCC1 129060473 573213458 /nfs/dbraw/zinc/21/34/58/573213458.db2.gz IQERAJJBKVNMRE-GHMZBOCLSA-N 1 0 185.311 2.055 10 0 AEAERO [NH3+]C[C@@H](CC1COC1)C1CCCCC1 258586853 573213464 /nfs/dbraw/zinc/21/34/64/573213464.db2.gz MUXMWXOXDBZEBR-GFCCVEGCSA-N 1 0 197.322 2.178 10 0 AEAERO CCCS[C@@H]1CCC[C@@H]([NH3+])C1 82819141 573213466 /nfs/dbraw/zinc/21/34/66/573213466.db2.gz PZDOGYADOLCVBS-RKDXNWHRSA-N 1 0 173.325 2.400 10 0 AEAERO C[C@@H]1COc2ccc(CCC[NH3+])cc21 257972342 573213481 /nfs/dbraw/zinc/21/34/81/573213481.db2.gz GOAZWCURXHXUGR-SECBINFHSA-N 1 0 191.274 2.074 10 0 AEAERO [NH3+]Cc1ncsc1-c1ccccc1 82817890 573213495 /nfs/dbraw/zinc/21/34/95/573213495.db2.gz GSXOPDNXCRGFMA-UHFFFAOYSA-N 1 0 190.271 2.269 10 0 AEAERO COc1c(C)ccc(F)c1C[C@H](C)[NH3+] 257970923 573213532 /nfs/dbraw/zinc/21/35/32/573213532.db2.gz CSKKBQRTHZXJRP-QMMMGPOBSA-N 1 0 197.253 2.032 10 0 AEAERO CCCCC[C@@H](O)[C@@H]([NH3+])CC(C)C 129091328 573213560 /nfs/dbraw/zinc/21/35/60/573213560.db2.gz SVLJQOYHJVNBJV-WDEREUQCSA-N 1 0 187.327 2.301 10 0 AEAERO CC[C@]1([NH2+]C[C@]2(C)C[C@H]2C)CCOC1 714650270 573213562 /nfs/dbraw/zinc/21/35/62/573213562.db2.gz BCFMYHOOCACFBE-WOPDTQHZSA-N 1 0 197.322 2.191 10 0 AEAERO CCCCS[C@@H]1CC[C@H]([NH3+])C1 82820596 573213582 /nfs/dbraw/zinc/21/35/82/573213582.db2.gz AAPMYKQAXKWDEM-DTWKUNHWSA-N 1 0 173.325 2.400 10 0 AEAERO CC[C@]1([NH2+]C[C@]2(C)C[C@@H]2C)CCOC1 714650251 573213586 /nfs/dbraw/zinc/21/35/86/573213586.db2.gz BCFMYHOOCACFBE-SRVKXCTJSA-N 1 0 197.322 2.191 10 0 AEAERO [NH3+][C@H]1CC[C@@H](Sc2ccccn2)C1 82820965 573213596 /nfs/dbraw/zinc/21/35/96/573213596.db2.gz XWNWXAVFUNYDTI-DTWKUNHWSA-N 1 0 194.303 2.054 10 0 AEAERO C[C@H]([NH3+])c1cccnc1OC1CCC1 235536972 573213597 /nfs/dbraw/zinc/21/35/97/573213597.db2.gz OLJMHOHKSLMGME-QMMMGPOBSA-N 1 0 192.262 2.033 10 0 AEAERO CCc1cc(CC[NH3+])c(C)cc1F 257972669 573213603 /nfs/dbraw/zinc/21/36/03/573213603.db2.gz IMTJLUWMNARBST-UHFFFAOYSA-N 1 0 181.254 2.198 10 0 AEAERO CC(C)O[C@H](C)C[C@H]1CCCC[NH2+]1 257971930 573213672 /nfs/dbraw/zinc/21/36/72/573213672.db2.gz YRNHHOFQONBIEI-GHMZBOCLSA-N 1 0 185.311 2.332 10 0 AEAERO CCSCCC[C@@H]1CC[C@H]1[NH3+] 132107981 573213680 /nfs/dbraw/zinc/21/36/80/573213680.db2.gz ARSYULRNKBKCNW-RKDXNWHRSA-N 1 0 173.325 2.257 10 0 AEAERO c1ccc([C@@H]2[NH2+]CC3CC2C3)cc1 257972050 573213708 /nfs/dbraw/zinc/21/37/08/573213708.db2.gz YTGVTOAZKIVETL-NHNAUAITSA-N 1 0 173.259 2.357 10 0 AEAERO [NH3+]C[C@@]1(CCO)CCCCCC12CC2 257759971 573213792 /nfs/dbraw/zinc/21/37/92/573213792.db2.gz DDYRWZBPPAUPHZ-LBPRGKRZSA-N 1 0 197.322 2.058 10 0 AEAERO CSCCC[C@@H](C)[C@@H](C)C[NH3+] 132116115 573213807 /nfs/dbraw/zinc/21/38/07/573213807.db2.gz SZHDLKRGNKMFHT-BDAKNGLRSA-N 1 0 175.341 2.361 10 0 AEAERO CCSCC[C@H](C)[C@@H](C)C[NH3+] 132114515 573213821 /nfs/dbraw/zinc/21/38/21/573213821.db2.gz DABNHMSZWQMTJF-IUCAKERBSA-N 1 0 175.341 2.361 10 0 AEAERO CC(C)CC[C@H](F)C1([NH3+])CC1 258587026 573213829 /nfs/dbraw/zinc/21/38/29/573213829.db2.gz SVTNRSFHDPFUPA-QMMMGPOBSA-N 1 0 159.248 2.252 10 0 AEAERO OCC[C@H]1CC[NH2+]C12CCCCCC2 257759978 573213848 /nfs/dbraw/zinc/21/38/48/573213848.db2.gz DNTIRKLCVTWDJA-LLVKDONJSA-N 1 0 197.322 2.071 10 0 AEAERO CCc1cccc2c1C(=O)CC[C@H]2[NH3+] 238306898 573213856 /nfs/dbraw/zinc/21/38/56/573213856.db2.gz OBBZPSCWBCISBU-SNVBAGLBSA-N 1 0 189.258 2.225 10 0 AEAERO COC[C@H](C)[C@@H]1CCCCC[C@H]1C[NH3+] 252914051 573213868 /nfs/dbraw/zinc/21/38/68/573213868.db2.gz PVTZKRBKDTXUFW-SRVKXCTJSA-N 1 0 199.338 2.424 10 0 AEAERO CCC/C=C\[C@@H]1CCC[NH2+]1 104709797 573213876 /nfs/dbraw/zinc/21/38/76/573213876.db2.gz XIVXNLABAPXPKT-XTULLQBASA-N 1 0 139.242 2.095 10 0 AEAERO CCCS[C@H]1CC[C@@H]([NH2+]C)C1 82820807 573213883 /nfs/dbraw/zinc/21/38/83/573213883.db2.gz VURXPEZWQWINIV-BDAKNGLRSA-N 1 0 173.325 2.270 10 0 AEAERO CCC(C)(C)C[C@H](C)[NH2+]C 82816541 573213889 /nfs/dbraw/zinc/21/38/89/573213889.db2.gz YTAQVYKPSZIZEP-QMMMGPOBSA-N 1 0 143.274 2.421 10 0 AEAERO CCS[C@@H]1CCC[C@@H]([NH2+]C)C1 82819113 573213928 /nfs/dbraw/zinc/21/39/28/573213928.db2.gz QFSKCWMDLOCTRL-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO CCCS[C@H]1CC[C@H]([NH3+])C1 82820809 573213984 /nfs/dbraw/zinc/21/39/84/573213984.db2.gz FGGWKFHBHIMSOG-YUMQZZPRSA-N 1 0 159.298 2.009 10 0 AEAERO [NH3+][C@H]1CC[C@H](Sc2ccccn2)C1 82820966 573214003 /nfs/dbraw/zinc/21/40/03/573214003.db2.gz XWNWXAVFUNYDTI-IUCAKERBSA-N 1 0 194.303 2.054 10 0 AEAERO CCc1cc(CC)c2c[nH+]cn2c1 238307464 573214201 /nfs/dbraw/zinc/21/42/01/573214201.db2.gz VWNFTAXNMCPQDP-UHFFFAOYSA-N 1 0 174.247 2.459 10 0 AEAERO C[NH2+]CC/C=C\C[C@H]1CCC(C)(C)O1 393659306 573214177 /nfs/dbraw/zinc/21/41/77/573214177.db2.gz QXSDGHRILOLVQQ-WYGGZMRJSA-N 1 0 197.322 2.500 10 0 AEAERO CCC[NH2+][C@H]1CC[C@H](SC)C1 82821319 573214840 /nfs/dbraw/zinc/21/48/40/573214840.db2.gz QAVVUQHHZKVQOS-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO CCCCC[C@H](O)[C@@H]([NH3+])CC(C)C 129091138 573214814 /nfs/dbraw/zinc/21/48/14/573214814.db2.gz SVLJQOYHJVNBJV-QWRGUYRKSA-N 1 0 187.327 2.301 10 0 AEAERO CC(C)CS[C@H]1CC[C@H]([NH3+])C1 82820613 573214818 /nfs/dbraw/zinc/21/48/18/573214818.db2.gz HONNRITXPZNJHK-IUCAKERBSA-N 1 0 173.325 2.255 10 0 AEAERO CSCCC[C@@H]1CC[C@H]1C[NH3+] 132126174 573220118 /nfs/dbraw/zinc/22/01/18/573220118.db2.gz LXCIYBLYHJICNF-BDAKNGLRSA-N 1 0 173.325 2.115 10 0 AEAERO CCc1cccc2c1C[NH2+][C@H]2C 238306764 573214823 /nfs/dbraw/zinc/21/48/23/573214823.db2.gz BZLNRXNWEXLHPS-QMMMGPOBSA-N 1 0 161.248 2.413 10 0 AEAERO CC[NH+](CC)[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C 82829520 573214674 /nfs/dbraw/zinc/21/46/74/573214674.db2.gz FRCLNPIMQVZTCD-WHOHXGKFSA-N 1 0 198.354 2.090 10 0 AEAERO CC(C)S[C@@H]1CC[C@H]([NH3+])C1 82821123 573214691 /nfs/dbraw/zinc/21/46/91/573214691.db2.gz GVLOAONUJJPHOV-JGVFFNPUSA-N 1 0 159.298 2.008 10 0 AEAERO CCc1cc(CC)c2c(c1)OC[C@@H]2[NH3+] 238307364 573214706 /nfs/dbraw/zinc/21/47/06/573214706.db2.gz ZURFUUXEABTCEJ-JTQLQIEISA-N 1 0 191.274 2.204 10 0 AEAERO Cc1ncc(C[C@@H]([NH3+])C2(C)CC2)s1 642877972 573214740 /nfs/dbraw/zinc/21/47/40/573214740.db2.gz XBJQCWGPIUZYFO-SECBINFHSA-N 1 0 195.311 2.314 10 0 AEAERO CCS[C@H]1CCC[C@H]([NH2+]C)C1 82819112 573214761 /nfs/dbraw/zinc/21/47/61/573214761.db2.gz QFSKCWMDLOCTRL-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO CSCCC[C@H](C)[C@H](C)C[NH3+] 132116306 573214766 /nfs/dbraw/zinc/21/47/66/573214766.db2.gz SZHDLKRGNKMFHT-DTWKUNHWSA-N 1 0 175.341 2.361 10 0 AEAERO Cc1cccc2c1C[C@H]([C@@H](C)[NH3+])C2 257973083 573214778 /nfs/dbraw/zinc/21/47/78/573214778.db2.gz YURIVRXLWOSALX-MWLCHTKSSA-N 1 0 175.275 2.057 10 0 AEAERO COCC[NH2+]C/C(C)=C\[C@@H](C)C(C)C 308518006 573214787 /nfs/dbraw/zinc/21/47/87/573214787.db2.gz PGZOYHWIDGDVTE-NXIHDVOMSA-N 1 0 199.338 2.461 10 0 AEAERO [NH3+][C@H]1CC[C@@H](SCc2ccco2)C1 82820628 573214839 /nfs/dbraw/zinc/21/48/39/573214839.db2.gz PEMDBGPTXJFHAC-WCBMZHEXSA-N 1 0 197.303 2.393 10 0 AEAERO CC[C@H]([NH3+])c1c(F)cc(O)cc1F 238308912 573215906 /nfs/dbraw/zinc/21/59/06/573215906.db2.gz SJHNSKFFKJRLMH-QMMMGPOBSA-N 1 0 187.189 2.080 10 0 AEAERO Cc1ccc([C@H](N)C(C)(C)[NH3+])c(C)c1 259377148 573215915 /nfs/dbraw/zinc/21/59/15/573215915.db2.gz NAHOQAVZSMKKHO-NSHDSACASA-N 1 0 192.306 2.041 10 0 AEAERO CCC[NH2+][C@@H]1CC[C@@H](SC)C1 82821320 573215923 /nfs/dbraw/zinc/21/59/23/573215923.db2.gz QAVVUQHHZKVQOS-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO CC[NH2+]C(C)(C)[C@H](C)CC 104720925 573215665 /nfs/dbraw/zinc/21/56/65/573215665.db2.gz LSVQSFCWRLDQCW-MRVPVSSYSA-N 1 0 143.274 2.421 10 0 AEAERO Cc1cc(F)cc(CC(C)(C)[NH3+])c1O 257972918 573215709 /nfs/dbraw/zinc/21/57/09/573215709.db2.gz DBVQUFSAYNSFMB-UHFFFAOYSA-N 1 0 197.253 2.120 10 0 AEAERO CCC[NH2+][C@@H]1CC[C@H](SC)C1 82821318 573215797 /nfs/dbraw/zinc/21/57/97/573215797.db2.gz QAVVUQHHZKVQOS-BDAKNGLRSA-N 1 0 173.325 2.270 10 0 AEAERO C[NH2+][C@@H]1CC[C@@H](SC(C)C)C1 82821121 573215827 /nfs/dbraw/zinc/21/58/27/573215827.db2.gz UEEFFWSPKZUGRB-RKDXNWHRSA-N 1 0 173.325 2.269 10 0 AEAERO CCCS[C@H]1CCC[C@@H]([NH3+])C1 82819142 573215844 /nfs/dbraw/zinc/21/58/44/573215844.db2.gz PZDOGYADOLCVBS-BDAKNGLRSA-N 1 0 173.325 2.400 10 0 AEAERO CCC[C@H](C)OC[C@@](C)([NH3+])CC 233343638 573215855 /nfs/dbraw/zinc/21/58/55/573215855.db2.gz DVKNRNASNGJEMX-UWVGGRQHSA-N 1 0 173.300 2.319 10 0 AEAERO [NH3+]C[C@H](CC1COC1)C1CCCCC1 258586854 573215944 /nfs/dbraw/zinc/21/59/44/573215944.db2.gz MUXMWXOXDBZEBR-LBPRGKRZSA-N 1 0 197.322 2.178 10 0 AEAERO CC(C)S[C@@H]1CC[C@@H]([NH3+])C1 82821125 573215961 /nfs/dbraw/zinc/21/59/61/573215961.db2.gz GVLOAONUJJPHOV-HTQZYQBOSA-N 1 0 159.298 2.008 10 0 AEAERO CC[C@H](C)C1CCC(O)([C@@H](C)[NH3+])CC1 238308633 573215969 /nfs/dbraw/zinc/21/59/69/573215969.db2.gz DBEONTAJEAPQFM-DMOGRIERSA-N 1 0 199.338 2.301 10 0 AEAERO [NH3+]C/C=C/c1ccc2c(c1F)CCC2 257972858 573215970 /nfs/dbraw/zinc/21/59/70/573215970.db2.gz DATGUPQWHYPQDX-DUXPYHPUSA-N 1 0 191.249 2.286 10 0 AEAERO [NH3+]C1CC(c2ccc3ncoc3c2)C1 259378267 573215974 /nfs/dbraw/zinc/21/59/74/573215974.db2.gz VOYYVMZZNWLNBC-UHFFFAOYSA-N 1 0 188.230 2.033 10 0 AEAERO CCc1ccc([C@H](O)[C@@H]([NH3+])CC)s1 129052024 573216049 /nfs/dbraw/zinc/21/60/49/573216049.db2.gz ISFXYSPZHWVPRZ-WCBMZHEXSA-N 1 0 199.319 2.081 10 0 AEAERO CCC1C[NH+]([C@@H]2CCCCC[C@H]2O)C1 123859244 573216079 /nfs/dbraw/zinc/21/60/79/573216079.db2.gz UVHOETMOEQGSGO-VXGBXAGGSA-N 1 0 197.322 2.022 10 0 AEAERO CCCS[C@@H]1CC[C@H]([NH3+])C1 82820808 573216086 /nfs/dbraw/zinc/21/60/86/573216086.db2.gz FGGWKFHBHIMSOG-JGVFFNPUSA-N 1 0 159.298 2.009 10 0 AEAERO CCCS[C@@H]1CC[C@@H]([NH2+]C)C1 82820806 573216146 /nfs/dbraw/zinc/21/61/46/573216146.db2.gz VURXPEZWQWINIV-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO C[NH2+][C@@H](C)CC(C)(C)C1CC1 82816620 573216161 /nfs/dbraw/zinc/21/61/61/573216161.db2.gz GDQCAIVIKCPTSH-QMMMGPOBSA-N 1 0 155.285 2.421 10 0 AEAERO [NH3+]C/C(F)=C\Cc1cccc(F)c1 115773635 573216163 /nfs/dbraw/zinc/21/61/63/573216163.db2.gz CJWYUEABTQAOCS-BJMVGYQFSA-N 1 0 183.201 2.180 10 0 AEAERO CCc1cc(O)cc([C@@H]2CC[NH2+]C2)c1 257972938 573216194 /nfs/dbraw/zinc/21/61/94/573216194.db2.gz DBYRHOMKCVWZEY-SNVBAGLBSA-N 1 0 191.274 2.032 10 0 AEAERO C[NH2+][C@H]1CC[C@H](SC(C)C)C1 82821120 573216218 /nfs/dbraw/zinc/21/62/18/573216218.db2.gz UEEFFWSPKZUGRB-IUCAKERBSA-N 1 0 173.325 2.269 10 0 AEAERO CCSCCC[C@H]1CC[C@H]1[NH3+] 132108181 573216240 /nfs/dbraw/zinc/21/62/40/573216240.db2.gz ARSYULRNKBKCNW-DTWKUNHWSA-N 1 0 173.325 2.257 10 0 AEAERO COCC[NH2+]C/C(C)=C\[C@H](C)C(C)C 308518005 573216248 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CCCCC[C@H](O)[C@H]([NH3+])CC(C)C 129090706 573216521 /nfs/dbraw/zinc/21/65/21/573216521.db2.gz SVLJQOYHJVNBJV-MNOVXSKESA-N 1 0 187.327 2.301 10 0 AEAERO CC(C)[C@@H](C)C[NH2+]CC1(CCO)CC1 308517945 573216529 /nfs/dbraw/zinc/21/65/29/573216529.db2.gz PAWBSRPXMUZQPM-NSHDSACASA-N 1 0 199.338 2.031 10 0 AEAERO CCCCS[C@H]1CC[C@@H]([NH3+])C1 82820599 573216573 /nfs/dbraw/zinc/21/65/73/573216573.db2.gz AAPMYKQAXKWDEM-BDAKNGLRSA-N 1 0 173.325 2.400 10 0 AEAERO [NH3+][C@@H]1CC[C@@H](Sc2ccccn2)C1 82820967 573216623 /nfs/dbraw/zinc/21/66/23/573216623.db2.gz XWNWXAVFUNYDTI-RKDXNWHRSA-N 1 0 194.303 2.054 10 0 AEAERO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1O 50888544 573216625 /nfs/dbraw/zinc/21/66/25/573216625.db2.gz MEPDEIVSWDREPK-AXFHLTTASA-N 1 0 185.311 2.068 10 0 AEAERO CC(C)[N@H+](C)[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1O 82830968 573217925 /nfs/dbraw/zinc/21/79/25/573217925.db2.gz GAYHUNUQKBKFFC-KXNHARMFSA-N 1 0 199.338 2.122 10 0 AEAERO CCc1cc(CC)n2c(N)c[nH+]c2c1 238307659 573217931 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CCC[C@H](C)[C@@H]([NH3+])COC(C)C 132456731 573315889 /nfs/dbraw/zinc/31/58/89/573315889.db2.gz YSJQKUKACLSCRQ-UWVGGRQHSA-N 1 0 173.300 2.175 10 0 AEAERO CC[NH2+]C[C@@H]1CC[C@@H](C2(C)CCC2)O1 686127898 573315890 /nfs/dbraw/zinc/31/58/90/573315890.db2.gz YDPCTURXBOXOOZ-QWRGUYRKSA-N 1 0 197.322 2.334 10 0 AEAERO CCc1nc([C@@H]([NH3+])CC)cs1 74310856 573315906 /nfs/dbraw/zinc/31/59/06/573315906.db2.gz MSJOXXZGXOTAGS-LURJTMIESA-N 1 0 170.281 2.115 10 0 AEAERO C/C(=C\c1ccsc1)C[NH3+] 86213857 573315912 /nfs/dbraw/zinc/31/59/12/573315912.db2.gz UOXYDTAUMPQEMK-QPJJXVBHSA-N 1 0 153.250 2.110 10 0 AEAERO [NH3+]C1(c2cc(O)ccc2Cl)CCC1 258003685 573315986 /nfs/dbraw/zinc/31/59/86/573315986.db2.gz GQGLAYOVRRLCRN-UHFFFAOYSA-N 1 0 197.665 2.384 10 0 AEAERO C[NH2+]C/C=C/c1sccc1C 86227676 573315988 /nfs/dbraw/zinc/31/59/88/573315988.db2.gz VNRLLJPMWAICHW-ONEGZZNKSA-N 1 0 167.277 2.289 10 0 AEAERO C[C@@H](C[NH3+])c1coc(C2CCCC2)n1 258303506 573316001 /nfs/dbraw/zinc/31/60/01/573316001.db2.gz 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573316225 /nfs/dbraw/zinc/31/62/25/573316225.db2.gz WJCPQNBNEUJJSW-UITAMQMPSA-N 1 0 141.258 2.184 10 0 AEAERO CC[NH2+]C[C@H]1CC[C@H](C2(C)CCC2)O1 686127895 573316232 /nfs/dbraw/zinc/31/62/32/573316232.db2.gz YDPCTURXBOXOOZ-GHMZBOCLSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@]1(c2cccc(OC)c2)CC[NH2+]1 258258170 573316253 /nfs/dbraw/zinc/31/62/53/573316253.db2.gz QLFPNULGAKFPBW-GFCCVEGCSA-N 1 0 191.274 2.294 10 0 AEAERO COc1ccc(F)cc1[C@@H]1[NH2+]C[C@H]1C 259414052 573316275 /nfs/dbraw/zinc/31/62/75/573316275.db2.gz ZOPWLXWXRFDXRT-RDDDGLTNSA-N 1 0 195.237 2.115 10 0 AEAERO CC(C)/C(=C\c1ccco1)C[NH3+] 86213580 573316308 /nfs/dbraw/zinc/31/63/08/573316308.db2.gz FOMWZNXEHTVLJF-TWGQIWQCSA-N 1 0 165.236 2.278 10 0 AEAERO CCO[C@@H](c1cccs1)[C@@H](C)[NH3+] 43107683 573316332 /nfs/dbraw/zinc/31/63/32/573316332.db2.gz HDWBRCJZMVOXQW-VXNVDRBHSA-N 1 0 185.292 2.173 10 0 AEAERO [NH3+]C1(c2ccc(F)cc2)CC=CC1 74307172 573316368 /nfs/dbraw/zinc/31/63/68/573316368.db2.gz FWJIWGFGSNSPEK-UHFFFAOYSA-N 1 0 177.222 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573316839 /nfs/dbraw/zinc/31/68/39/573316839.db2.gz MSJOXXZGXOTAGS-ZCFIWIBFSA-N 1 0 170.281 2.115 10 0 AEAERO CCC(CC)[C@H]([NH2+]C)[C@@H]1CCO[C@@H]1C 132560826 573316859 /nfs/dbraw/zinc/31/68/59/573316859.db2.gz OZQWBYATKMXXIL-JLLWLGSASA-N 1 0 199.338 2.436 10 0 AEAERO CCC(=O)[C@@H](C)[N@@H+]1CCCC1(C)C 82947749 573316869 /nfs/dbraw/zinc/31/68/69/573316869.db2.gz LOUADRJQDVPJBT-SECBINFHSA-N 1 0 183.295 2.228 10 0 AEAERO COc1ccc(/C=C(/C)C[NH3+])cc1 86214003 573316888 /nfs/dbraw/zinc/31/68/88/573316888.db2.gz ZKCSJEYIDKEYBO-CLFYSBASSA-N 1 0 177.247 2.057 10 0 AEAERO [NH3+]CC1(C2CCCC2)CCC(=O)CC1 106872514 573316890 /nfs/dbraw/zinc/31/68/90/573316890.db2.gz CXBZHWAYZVTRMI-UHFFFAOYSA-N 1 0 195.306 2.265 10 0 AEAERO COc1ccccc1/C=C(/C)C[NH3+] 86214050 573316988 /nfs/dbraw/zinc/31/69/88/573316988.db2.gz WWYKWLVOUKLMHV-CLFYSBASSA-N 1 0 177.247 2.057 10 0 AEAERO CCC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1C 82946727 573317038 /nfs/dbraw/zinc/31/70/38/573317038.db2.gz DTFVTDOTFJWZSO-VHSXEESVSA-N 1 0 183.295 2.228 10 0 AEAERO Cc1ccc([C@@]2(F)CC[NH2+]C2)cc1F 224030659 573318367 /nfs/dbraw/zinc/31/83/67/573318367.db2.gz VXEVRZBCDKFMAW-LLVKDONJSA-N 1 0 197.228 2.292 10 0 AEAERO COc1cscc1[C@H]([NH3+])C1CC1 238351098 573317093 /nfs/dbraw/zinc/31/70/93/573317093.db2.gz APJQQVIPFWMPAW-SECBINFHSA-N 1 0 183.276 2.167 10 0 AEAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH3+] 74307104 573317105 /nfs/dbraw/zinc/31/71/05/573317105.db2.gz FSZAUKFOZDUZJZ-JTQLQIEISA-N 1 0 177.247 2.167 10 0 AEAERO Cc1noc([C@H]([NH2+]C(C)C)C(C)C)n1 132588344 573317131 /nfs/dbraw/zinc/31/71/31/573317131.db2.gz MSLXLOHHLYKZJP-SECBINFHSA-N 1 0 197.282 2.073 10 0 AEAERO C[NH2+][C@@H](CC1CCCC1)c1cn[nH]c1 308550890 573317140 /nfs/dbraw/zinc/31/71/40/573317140.db2.gz RUBFDFHXQWLPFD-NSHDSACASA-N 1 0 193.294 2.251 10 0 AEAERO C[NH2+]C/C(=C\C1CC1)C(C)C 86214919 573317172 /nfs/dbraw/zinc/31/71/72/573317172.db2.gz HUARVRRSHWAKJJ-UXBLZVDNSA-N 1 0 153.269 2.198 10 0 AEAERO CC/C(=C\c1ccc(C)o1)C[NH3+] 86213103 573317184 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AEAERO Cc1ccncc1[C@H]([NH3+])CC1CC1 74307860 573317470 /nfs/dbraw/zinc/31/74/70/573317470.db2.gz DYZDQWWVRWVDCI-LLVKDONJSA-N 1 0 176.263 2.190 10 0 AEAERO COc1cccc(C)c1CC1([NH3+])CC1 258003715 573317524 /nfs/dbraw/zinc/31/75/24/573317524.db2.gz GQTPXHJLKNHIOL-UHFFFAOYSA-N 1 0 191.274 2.037 10 0 AEAERO C/C(=C\C1CCCCC1)C[NH3+] 86213859 573317526 /nfs/dbraw/zinc/31/75/26/573317526.db2.gz SHEOTLLYENXJRB-VQHVLOKHSA-N 1 0 153.269 2.472 10 0 AEAERO CC(C)CO[C@@H](C[NH3+])c1cccs1 43109316 573318082 /nfs/dbraw/zinc/31/80/82/573318082.db2.gz SUHQNMKAGLDMHL-VIFPVBQESA-N 1 0 199.319 2.421 10 0 AEAERO CCC(/C=C/C[NH2+]C)CC 86227566 573317549 /nfs/dbraw/zinc/31/75/49/573317549.db2.gz MCTNGGRFDVCQED-VOTSOKGWSA-N 1 0 141.258 2.198 10 0 AEAERO C/C(=C\c1ccccc1C)C[NH3+] 86213695 573317564 /nfs/dbraw/zinc/31/75/64/573317564.db2.gz ASHHXGOBJRCVCF-VQHVLOKHSA-N 1 0 161.248 2.357 10 0 AEAERO CC[NH2+]C[C@H]1C[C@@H]1c1cnccc1C 129376271 573317579 /nfs/dbraw/zinc/31/75/79/573317579.db2.gz FNOJOYPNGRQUBU-MNOVXSKESA-N 1 0 190.290 2.103 10 0 AEAERO C[C@H](C[NH3+])c1coc(C2CCCC2)n1 258303502 573317588 /nfs/dbraw/zinc/31/75/88/573317588.db2.gz ZVWZBDFTFHQULR-MRVPVSSYSA-N 1 0 194.278 2.394 10 0 AEAERO CCc1c(C[NH3+])oc2ccccc12 74308641 573317593 /nfs/dbraw/zinc/31/75/93/573317593.db2.gz ABFBMAVDSPMYEQ-UHFFFAOYSA-N 1 0 175.231 2.454 10 0 AEAERO CCC[NH2+]Cc1c(CC)n[nH]c1CC 132585572 573318771 /nfs/dbraw/zinc/31/87/71/573318771.db2.gz JHJKJTKWBKRNCX-UHFFFAOYSA-N 1 0 195.310 2.034 10 0 AEAERO Cc1ccsc1N[C@H]1CCC[C@H]1[NH3+] 259084120 573317641 /nfs/dbraw/zinc/31/76/41/573317641.db2.gz RKCDQWMTXXQCRU-BDAKNGLRSA-N 1 0 196.319 2.348 10 0 AEAERO [NH3+]C1CCC(c2cccc(O)c2)CC1 259415657 573317645 /nfs/dbraw/zinc/31/76/45/573317645.db2.gz SMHPFOUSJXXSAE-UHFFFAOYSA-N 1 0 191.274 2.377 10 0 AEAERO C/C(=C\c1cccs1)C[NH3+] 86213997 573317669 /nfs/dbraw/zinc/31/76/69/573317669.db2.gz KQTXCLSGTLLOGF-FNORWQNLSA-N 1 0 153.250 2.110 10 0 AEAERO c1ccc2c(C3C[NH2+]C3)coc2c1 117049789 573317704 /nfs/dbraw/zinc/31/77/04/573317704.db2.gz CEMDRLCPTFCWBF-UHFFFAOYSA-N 1 0 173.215 2.120 10 0 AEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cnccc1C 129376080 573317727 /nfs/dbraw/zinc/31/77/27/573317727.db2.gz FNOJOYPNGRQUBU-QWRGUYRKSA-N 1 0 190.290 2.103 10 0 AEAERO CC/C(=C\c1scnc1C)C[NH3+] 86213174 573317753 /nfs/dbraw/zinc/31/77/53/573317753.db2.gz KBZUTXNBODXUCK-XBXARRHUSA-N 1 0 182.292 2.204 10 0 AEAERO F[C@H](Cc1ccco1)[C@H]1CCCC[NH2+]1 236159391 573317775 /nfs/dbraw/zinc/31/77/75/573317775.db2.gz UEYAIQIZVPYMHX-GHMZBOCLSA-N 1 0 197.253 2.302 10 0 AEAERO CC[NH2+][C@H](C)c1c(CC)n[nH]c1CC 132588992 573317801 /nfs/dbraw/zinc/31/78/01/573317801.db2.gz PXKRRZRGKPNKEK-MRVPVSSYSA-N 1 0 195.310 2.205 10 0 AEAERO C[C@@H]([NH3+])c1ccnc2ccccc12 74310042 573317822 /nfs/dbraw/zinc/31/78/22/573317822.db2.gz RFPFJPRJGSDGAG-MRVPVSSYSA-N 1 0 172.231 2.255 10 0 AEAERO C/C(=C\c1ccc(C)cc1)C[NH3+] 86214000 573317875 /nfs/dbraw/zinc/31/78/75/573317875.db2.gz KSFLXYRAENQKPZ-JXMROGBWSA-N 1 0 161.248 2.357 10 0 AEAERO C[NH2+][C@@H](c1cnc(C)s1)C1CCC1 642830306 573317905 /nfs/dbraw/zinc/31/79/05/573317905.db2.gz DPSSFTUCBBTVRM-SNVBAGLBSA-N 1 0 195.311 2.184 10 0 AEAERO CC[C@H](CO)C[NH2+]C1CCCCCC1 258628393 573317948 /nfs/dbraw/zinc/31/79/48/573317948.db2.gz KKJRANCWDOZHAP-NSHDSACASA-N 1 0 199.338 2.317 10 0 AEAERO C/C(=C\c1sccc1C)C[NH3+] 86214052 573317962 /nfs/dbraw/zinc/31/79/62/573317962.db2.gz VKOKWDCILTYVQF-FNORWQNLSA-N 1 0 167.277 2.419 10 0 AEAERO Cc1ccc([C@@H](F)CC[NH3+])cc1F 224032970 573317976 /nfs/dbraw/zinc/31/79/76/573317976.db2.gz HNVYFVPBQYKDCM-VIFPVBQESA-N 1 0 185.217 2.494 10 0 AEAERO Cc1c(O)cccc1C1([C@H](C)[NH3+])CC1 258003679 573317977 /nfs/dbraw/zinc/31/79/77/573317977.db2.gz GQCVLYCRWSYESJ-VIFPVBQESA-N 1 0 191.274 2.079 10 0 AEAERO CCC[N@H+](CC)Cc1ccc(O)cn1 132551169 573318074 /nfs/dbraw/zinc/31/80/74/573318074.db2.gz PZJIVEFAQFXUPO-UHFFFAOYSA-N 1 0 194.278 2.019 10 0 AEAERO COc1ccc(/C=C(/C)C[NH3+])cc1C 86213821 573318111 /nfs/dbraw/zinc/31/81/11/573318111.db2.gz GMLUSMLNUZVRKY-TWGQIWQCSA-N 1 0 191.274 2.366 10 0 AEAERO F[C@H](Cc1ccco1)[C@@H]1CCCC[NH2+]1 236159310 573318130 /nfs/dbraw/zinc/31/81/30/573318130.db2.gz UEYAIQIZVPYMHX-MNOVXSKESA-N 1 0 197.253 2.302 10 0 AEAERO Cn1cc(-c2cccs2)cc1C[NH3+] 259083494 573318388 /nfs/dbraw/zinc/31/83/88/573318388.db2.gz CYGGNWTWVNUXPZ-UHFFFAOYSA-N 1 0 192.287 2.212 10 0 AEAERO COc1cscc1[C@H]1CCC[NH2+]1 238351182 573318198 /nfs/dbraw/zinc/31/81/98/573318198.db2.gz WSQUFXVHQSDGHY-MRVPVSSYSA-N 1 0 183.276 2.181 10 0 AEAERO CC(C)(CC[NH3+])Nc1ccc(F)cc1 259084197 573318202 /nfs/dbraw/zinc/31/82/02/573318202.db2.gz YHQFPKGQEIGQRG-UHFFFAOYSA-N 1 0 196.269 2.365 10 0 AEAERO CCC(=O)[C@H](C)[N@H+](CC(C)C)C1CC1 82947097 573318217 /nfs/dbraw/zinc/31/82/17/573318217.db2.gz KDQLLXQCBINVDT-JTQLQIEISA-N 1 0 197.322 2.474 10 0 AEAERO CCC(=O)[C@H](C)[N@@H+]1CCCC1(C)C 82947751 573318235 /nfs/dbraw/zinc/31/82/35/573318235.db2.gz LOUADRJQDVPJBT-VIFPVBQESA-N 1 0 183.295 2.228 10 0 AEAERO CCCCOC[C@H]1CCC[NH2+][C@@H]1C 308347142 573318807 /nfs/dbraw/zinc/31/88/07/573318807.db2.gz WAAPJVBVQGWOJK-GHMZBOCLSA-N 1 0 185.311 2.191 10 0 AEAERO COC[C@H]([NH2+]CC=C1CCC1)C1CC1 308551485 573318344 /nfs/dbraw/zinc/31/83/44/573318344.db2.gz XQHLKKUDACIEGR-LBPRGKRZSA-N 1 0 195.306 2.111 10 0 AEAERO COC[C@@H](C)C1(C[NH3+])CCC(C)CC1 308551274 573318349 /nfs/dbraw/zinc/31/83/49/573318349.db2.gz QGASLTQVODRAAZ-MOENNCHZSA-N 1 0 199.338 2.424 10 0 AEAERO CC(C)/C(=C\c1ccoc1)C[NH3+] 86213475 573318382 /nfs/dbraw/zinc/31/83/82/573318382.db2.gz ABJGINPXMSDLGD-YHYXMXQVSA-N 1 0 165.236 2.278 10 0 AEAERO Cc1ccc([C@@H](C)CC[NH3+])cc1N 259415738 573318394 /nfs/dbraw/zinc/31/83/94/573318394.db2.gz MMLVKCNRDRPEJK-QMMMGPOBSA-N 1 0 178.279 2.030 10 0 AEAERO CC[NH2+]C[C@H]1C[C@H]1c1cnccc1C 129376695 573318398 /nfs/dbraw/zinc/31/83/98/573318398.db2.gz FNOJOYPNGRQUBU-GHMZBOCLSA-N 1 0 190.290 2.103 10 0 AEAERO Cc1ccc([C@H](F)CC[NH3+])cc1F 224033020 573318401 /nfs/dbraw/zinc/31/84/01/573318401.db2.gz HNVYFVPBQYKDCM-SECBINFHSA-N 1 0 185.217 2.494 10 0 AEAERO C[NH2+]C[C@H]1Cc2c(F)cccc2S1 258256717 573318402 /nfs/dbraw/zinc/31/84/02/573318402.db2.gz RRIJAJUPUPBFGG-SSDOTTSWSA-N 1 0 197.278 2.062 10 0 AEAERO COc1cscc1[C@@H]([NH3+])C(C)C 238350804 573318403 /nfs/dbraw/zinc/31/84/03/573318403.db2.gz SDRYAJXRXMDVED-VIFPVBQESA-N 1 0 185.292 2.413 10 0 AEAERO C[C@H](c1nc2ccccc2[nH]1)[NH+](C)C 74323879 573318408 /nfs/dbraw/zinc/31/84/08/573318408.db2.gz NRZKHGSGUCBFOY-MRVPVSSYSA-N 1 0 189.262 2.186 10 0 AEAERO CCC(/C=C(/C)C[NH3+])CC 86213757 573318418 /nfs/dbraw/zinc/31/84/18/573318418.db2.gz QMHPOZUZPRQKMT-VURMDHGXSA-N 1 0 141.258 2.328 10 0 AEAERO CC[C@@H]([NH3+])[C@@H](OC)c1cccs1 43107675 573318448 /nfs/dbraw/zinc/31/84/48/573318448.db2.gz AGGUZWGNSBNGFG-VXNVDRBHSA-N 1 0 185.292 2.173 10 0 AEAERO COc1ccc(/C=C(/C)C[NH3+])cc1F 86213878 573318489 /nfs/dbraw/zinc/31/84/89/573318489.db2.gz WSRNMKUGKXUSQN-YVMONPNESA-N 1 0 195.237 2.196 10 0 AEAERO CCC(=O)[C@@H](C)[NH+]1CCC(C)(C)CC1 82947683 573318490 /nfs/dbraw/zinc/31/84/90/573318490.db2.gz IFAWAIQGNMOAGA-SNVBAGLBSA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](CC)[C@H]1CCOC1 308552202 573318831 /nfs/dbraw/zinc/31/88/31/573318831.db2.gz QPAJUTZBFCVJIM-KXNHARMFSA-N 1 0 197.322 2.190 10 0 AEAERO COC[C@@H]([NH2+]CC=C1CCC1)C1CC1 308551484 573318573 /nfs/dbraw/zinc/31/85/73/573318573.db2.gz XQHLKKUDACIEGR-GFCCVEGCSA-N 1 0 195.306 2.111 10 0 AEAERO CC[C@]1(CC[C@@H]2CCOC2)CCC[NH2+]1 258257560 573318614 /nfs/dbraw/zinc/31/86/14/573318614.db2.gz QZOBBIJZYLYESX-VXGBXAGGSA-N 1 0 197.322 2.335 10 0 AEAERO CCC1(C[NH2+][C@](C)(CN)C(C)C)CC1 308551403 573318639 /nfs/dbraw/zinc/31/86/39/573318639.db2.gz SCNIYLGMGNZHBW-LLVKDONJSA-N 1 0 198.354 2.140 10 0 AEAERO C[NH2+]C/C=C/c1ccc(Cl)o1 86227638 573318690 /nfs/dbraw/zinc/31/86/90/573318690.db2.gz OXGZTTWVUDIOCM-NSCUHMNNSA-N 1 0 171.627 2.166 10 0 AEAERO CCC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 82949593 573318717 /nfs/dbraw/zinc/31/87/17/573318717.db2.gz CUSGQBJMOIITDQ-UWVGGRQHSA-N 1 0 183.295 2.086 10 0 AEAERO CCn1cnc([C@@H]([NH3+])C2(CC)CC2)c1 308552183 573318850 /nfs/dbraw/zinc/31/88/50/573318850.db2.gz SNUGOGMOQFESKH-SNVBAGLBSA-N 1 0 193.294 2.093 10 0 AEAERO CCn1ccc(C[NH2+]C2CC=CC2)c1 132535996 573319177 /nfs/dbraw/zinc/31/91/77/573319177.db2.gz YZUDGVZSGAGUGS-UHFFFAOYSA-N 1 0 190.290 2.316 10 0 AEAERO CCC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 82949592 573318878 /nfs/dbraw/zinc/31/88/78/573318878.db2.gz CUSGQBJMOIITDQ-VHSXEESVSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@H]([NH3+])[C@H](OC)c1cccs1 43107666 573318892 /nfs/dbraw/zinc/31/88/92/573318892.db2.gz AGGUZWGNSBNGFG-CBAPKCEASA-N 1 0 185.292 2.173 10 0 AEAERO CCCOc1cccnc1C(C)(C)[NH3+] 308551874 573318904 /nfs/dbraw/zinc/31/89/04/573318904.db2.gz SGZHXYSAXPMLJV-UHFFFAOYSA-N 1 0 194.278 2.064 10 0 AEAERO C/C(=C\C1CCCC1)C[NH3+] 86213992 573318908 /nfs/dbraw/zinc/31/89/08/573318908.db2.gz VSUVNRBFZKGZLD-SOFGYWHQSA-N 1 0 139.242 2.082 10 0 AEAERO CCCCC[N@H+](C)CC(C)=C1C[NH2+]C1 129485388 573318969 /nfs/dbraw/zinc/31/89/69/573318969.db2.gz UYVMQPVPLYXRJL-UHFFFAOYSA-N 1 0 196.338 2.028 10 0 AEAERO O=C(CC1CCCC1)C1CC[NH2+]CC1 106872516 573318976 /nfs/dbraw/zinc/31/89/76/573318976.db2.gz RWBUEONZMXZGNA-UHFFFAOYSA-N 1 0 195.306 2.135 10 0 AEAERO CCC(=O)[C@H](C)[NH+]1CCC(C)(C)CC1 82947685 573318981 /nfs/dbraw/zinc/31/89/81/573318981.db2.gz IFAWAIQGNMOAGA-JTQLQIEISA-N 1 0 197.322 2.476 10 0 AEAERO C/C(=C\c1ccccc1F)C[NH3+] 86213749 573319012 /nfs/dbraw/zinc/31/90/12/573319012.db2.gz XNZXICGZQJLUNN-SOFGYWHQSA-N 1 0 165.211 2.188 10 0 AEAERO Cc1ccc(C/C=C/C[NH3+])cc1 258627751 573319070 /nfs/dbraw/zinc/31/90/70/573319070.db2.gz XLPZZQRYVKXNLK-NSCUHMNNSA-N 1 0 161.248 2.052 10 0 AEAERO CCC(CC)[C@H]([NH2+]C)[C@H]1OCC[C@H]1C 132592395 573319085 /nfs/dbraw/zinc/31/90/85/573319085.db2.gz VHCUWNZHDPOHFX-USWWRNFRSA-N 1 0 199.338 2.436 10 0 AEAERO Cc1ccsc1N[C@@H]1CCC[C@@H]1[NH3+] 259084123 573319152 /nfs/dbraw/zinc/31/91/52/573319152.db2.gz RKCDQWMTXXQCRU-DTWKUNHWSA-N 1 0 196.319 2.348 10 0 AEAERO Cc1cccc(N[C@H](C)CC[NH3+])c1 259415678 573319181 /nfs/dbraw/zinc/31/91/81/573319181.db2.gz YXJXQMINDPDWEY-SNVBAGLBSA-N 1 0 178.279 2.144 10 0 AEAERO CC/C(=C/[C@@H](C)CC)C[NH3+] 86213374 573319192 /nfs/dbraw/zinc/31/91/92/573319192.db2.gz SSLSVFPSGAGCIF-HWPCKVLBSA-N 1 0 141.258 2.328 10 0 AEAERO F[C@H](Cc1cccs1)[C@H]1CCC[NH2+]1 236159622 573319285 /nfs/dbraw/zinc/31/92/85/573319285.db2.gz LFKHTHXYQCCTCK-NXEZZACHSA-N 1 0 199.294 2.381 10 0 AEAERO CC(C)(C)CC(C)(C)[NH2+]CC1COC1 308551794 573319289 /nfs/dbraw/zinc/31/92/89/573319289.db2.gz XSSXDFUANVOWBH-UHFFFAOYSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+]C[C@@H]1Cc2c(F)cccc2S1 258256720 573319299 /nfs/dbraw/zinc/31/92/99/573319299.db2.gz RRIJAJUPUPBFGG-ZETCQYMHSA-N 1 0 197.278 2.062 10 0 AEAERO CCCCCC(C)(C)[NH+]1CCNCC1 259416456 573319334 /nfs/dbraw/zinc/31/93/34/573319334.db2.gz OUPKUMYMIXNVBV-UHFFFAOYSA-N 1 0 198.354 2.251 10 0 AEAERO CCn1cnc([C@H]([NH3+])C2(CC)CC2)c1 308552180 573319357 /nfs/dbraw/zinc/31/93/57/573319357.db2.gz SNUGOGMOQFESKH-JTQLQIEISA-N 1 0 193.294 2.093 10 0 AEAERO CCC(=O)[C@@H](C)[NH+]1CCC(C)CC1 82946714 573319368 /nfs/dbraw/zinc/31/93/68/573319368.db2.gz MCUQCVVUCANYPM-SNVBAGLBSA-N 1 0 183.295 2.086 10 0 AEAERO COc1cscc1[C@@H]1CCC[NH2+]1 238351011 573319392 /nfs/dbraw/zinc/31/93/92/573319392.db2.gz WSQUFXVHQSDGHY-QMMMGPOBSA-N 1 0 183.276 2.181 10 0 AEAERO CC[NH2+][C@H](C1=CCCO1)C1(CC)CC1 308551391 573319435 /nfs/dbraw/zinc/31/94/35/573319435.db2.gz SBVGZHVYNYTLOB-LLVKDONJSA-N 1 0 195.306 2.459 10 0 AEAERO Cc1ccc(C(=O)C(C)(C)[NH3+])cc1F 224038627 573319437 /nfs/dbraw/zinc/31/94/37/573319437.db2.gz WENIVZZSJLXSJM-UHFFFAOYSA-N 1 0 195.237 2.054 10 0 AEAERO Cc1ccncc1C[C@@H]1CCCC[NH2+]1 259084425 573319439 /nfs/dbraw/zinc/31/94/39/573319439.db2.gz CWEIPKPUHSPIDO-LBPRGKRZSA-N 1 0 190.290 2.075 10 0 AEAERO C[C@H]([NH2+]Cc1cccnn1)C(C)(C)C 308551956 573319489 /nfs/dbraw/zinc/31/94/89/573319489.db2.gz XVJUVJZLLLIOCO-VIFPVBQESA-N 1 0 193.294 2.001 10 0 AEAERO CCC1(C[NH2+][C@H](C)C[NH2+]C(C)C)CC1 308550896 573319522 /nfs/dbraw/zinc/31/95/22/573319522.db2.gz RUMBTVCNGQINGE-LLVKDONJSA-N 1 0 198.354 2.153 10 0 AEAERO C/C(=C\c1ccc(C)s1)C[NH3+] 86213705 573319535 /nfs/dbraw/zinc/31/95/35/573319535.db2.gz QXLBCWOHPIFWKT-FNORWQNLSA-N 1 0 167.277 2.419 10 0 AEAERO COCCC[C@H]([NH3+])CC1(C)CCC1 308347176 573319558 /nfs/dbraw/zinc/31/95/58/573319558.db2.gz WCYDBYXMWNIEBM-JTQLQIEISA-N 1 0 185.311 2.321 10 0 AEAERO COc1cc(C)cc([C@@H]([NH3+])C2CC2)c1 238350916 573319589 /nfs/dbraw/zinc/31/95/89/573319589.db2.gz FXDPXFDTUVFCNA-LBPRGKRZSA-N 1 0 191.274 2.413 10 0 AEAERO CCC1(CC(=O)CCC[NH3+])CCC1 308348017 573320020 /nfs/dbraw/zinc/32/00/20/573320020.db2.gz WRDAFANGCMSSOV-UHFFFAOYSA-N 1 0 183.295 2.265 10 0 AEAERO CCO[C@@H](c1cccs1)[C@H](C)[NH3+] 43107689 573319634 /nfs/dbraw/zinc/31/96/34/573319634.db2.gz HDWBRCJZMVOXQW-IONNQARKSA-N 1 0 185.292 2.173 10 0 AEAERO C[C@@H]1CCc2c[nH+]c(C3CC3)n2C1 258256173 573319653 /nfs/dbraw/zinc/31/96/53/573319653.db2.gz MPQNLNSMWUQHDV-MRVPVSSYSA-N 1 0 176.263 2.343 10 0 AEAERO CC/C(=C\c1ccco1)C[NH3+] 86213320 573319672 /nfs/dbraw/zinc/31/96/72/573319672.db2.gz ZZRKICWCLCEZEW-SOFGYWHQSA-N 1 0 151.209 2.032 10 0 AEAERO CCc1ccc(C[C@@H](C)[NH+](C)C)nc1 308552033 573319681 /nfs/dbraw/zinc/31/96/81/573319681.db2.gz XVFXLGVGAJPJHY-SNVBAGLBSA-N 1 0 192.306 2.137 10 0 AEAERO CCC[C@@H]1[NH2+][C@@H](CC(C)C)CC[C@H]1O 308347866 573319687 /nfs/dbraw/zinc/31/96/87/573319687.db2.gz YKOCBSRFJVFQCE-GRYCIOLGSA-N 1 0 199.338 2.314 10 0 AEAERO CC(C)COC[C@H]1[NH2+]CCC[C@H]1C 308348013 573319708 /nfs/dbraw/zinc/31/97/08/573319708.db2.gz WRCHUMPTESBCKQ-GHMZBOCLSA-N 1 0 185.311 2.047 10 0 AEAERO Cc1[nH+]c2cc(N)cc(Cl)c2n1C 106872696 573319757 /nfs/dbraw/zinc/31/97/57/573319757.db2.gz GSWLYLYPACJUDO-UHFFFAOYSA-N 1 0 195.653 2.117 10 0 AEAERO [NH3+]CC1(C2CCCC2)CCC(O)CC1 106874777 573321587 /nfs/dbraw/zinc/32/15/87/573321587.db2.gz YNEIMDFZUYSDSI-UHFFFAOYSA-N 1 0 197.322 2.057 10 0 AEAERO CC/C(=C\C(C)(C)C)C[NH3+] 86213380 573319783 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C[C@@H](C1CC1)[C@H]([NH3+])Cc1ccoc1 133724275 573435439 /nfs/dbraw/zinc/43/54/39/573435439.db2.gz RIRDJHHANJCTDS-GZMMTYOYSA-N 1 0 179.263 2.196 10 0 AEAERO C[NH2+]CC1(OCC(C)C)CCCC1 50492196 573435444 /nfs/dbraw/zinc/43/54/44/573435444.db2.gz TVXKHKDJGMQXHT-UHFFFAOYSA-N 1 0 185.311 2.191 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1Cc2ccc(Cl)cc2C1 238394400 573435446 /nfs/dbraw/zinc/43/54/46/573435446.db2.gz ZFKMUGOQZGPTHL-VXNVDRBHSA-N 1 0 195.693 2.402 10 0 AEAERO CC[C@H](C)CNC1=[NH+]CCCC1 86455464 573435447 /nfs/dbraw/zinc/43/54/47/573435447.db2.gz YHWCIVGJCHTCNV-VIFPVBQESA-N 1 0 168.284 2.205 10 0 AEAERO C[C@@H]1C[C@H](c2ccc(Cl)o2)C[NH2+]1 258031449 573435465 /nfs/dbraw/zinc/43/54/65/573435465.db2.gz CDFJQOGMNIXJDS-RQJHMYQMSA-N 1 0 185.654 2.398 10 0 AEAERO C[C@@H]1CC[C@@H](NC2=[NH+]CCC2)[C@@H]1C 86455835 573435488 /nfs/dbraw/zinc/43/54/88/573435488.db2.gz GOSUZTRSRPEGDI-OPRDCNLKSA-N 1 0 180.295 2.203 10 0 AEAERO CC(C)([NH3+])C1=Cc2cc(O)ccc2C1 257812856 573435533 /nfs/dbraw/zinc/43/55/33/573435533.db2.gz BWVAKWRQBPQPQX-UHFFFAOYSA-N 1 0 189.258 2.069 10 0 AEAERO CC[NH2+][C@@H](C=C(C)C)c1cncn1C 126229428 573435571 /nfs/dbraw/zinc/43/55/71/573435571.db2.gz DASJRKYIJZVZBY-JTQLQIEISA-N 1 0 193.294 2.037 10 0 AEAERO Cc1c(F)ccc(CC2([NH3+])CC2)c1F 258030285 573435601 /nfs/dbraw/zinc/43/56/01/573435601.db2.gz IYTZRWQEQXSMQG-UHFFFAOYSA-N 1 0 197.228 2.307 10 0 AEAERO C[C@@H]([NH3+])c1ccc2c(c1F)CCC2 238394113 573435642 /nfs/dbraw/zinc/43/56/42/573435642.db2.gz OCFILWQDUCNKPE-SSDOTTSWSA-N 1 0 179.238 2.334 10 0 AEAERO CCC1([C@@H]([NH2+]C)C(F)F)CCC1 686125525 573435614 /nfs/dbraw/zinc/43/56/14/573435614.db2.gz AVYFRQXBUCXHOU-ZETCQYMHSA-N 1 0 177.238 2.420 10 0 AEAERO CCc1noc([C@H]2CCCC[NH2+]2)c1C 107235461 573435674 /nfs/dbraw/zinc/43/56/74/573435674.db2.gz MOBRSWLNHCPJML-SNVBAGLBSA-N 1 0 194.278 2.360 10 0 AEAERO OC[C@@H]1CC[C@H](C2CCCCCC2)[NH2+]1 257812587 573435691 /nfs/dbraw/zinc/43/56/91/573435691.db2.gz BVEADJSKBFLOLV-NWDGAFQWSA-N 1 0 197.322 2.070 10 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WSJVGACASHCCGB-ZJUUUORDSA-N 1 0 180.295 2.347 10 0 AEAERO C[C@@H]([NH3+])c1ccc2c(c1F)OCCC2 238393994 573435794 /nfs/dbraw/zinc/43/57/94/573435794.db2.gz VRASNBIYJCDXQU-SSDOTTSWSA-N 1 0 195.237 2.170 10 0 AEAERO Cc1cccc2c1C=C([C@@H](C)[NH3+])C2 257812657 573435799 /nfs/dbraw/zinc/43/57/99/573435799.db2.gz BRCNKRPZYLECKB-SECBINFHSA-N 1 0 173.259 2.282 10 0 AEAERO C[C@]1(Cc2ccccc2O)CCC[NH2+]1 258344959 573435803 /nfs/dbraw/zinc/43/58/03/573435803.db2.gz VQIDRHOJBCZNEF-GFCCVEGCSA-N 1 0 191.274 2.077 10 0 AEAERO C[C@H]1CCC[C@@H]1NC1=[NH+]CCCC1 86455544 573435817 /nfs/dbraw/zinc/43/58/17/573435817.db2.gz WSJVGACASHCCGB-UWVGGRQHSA-N 1 0 180.295 2.347 10 0 AEAERO Cc1cccc2c1[C@@H]([NH+](C)C)CCN2 257812567 573435827 /nfs/dbraw/zinc/43/58/27/573435827.db2.gz BUCZZOGWUHUATO-NSHDSACASA-N 1 0 190.290 2.413 10 0 AEAERO c1c(C2CC2)noc1[C@H]1CCCC[NH2+]1 107233780 573435852 /nfs/dbraw/zinc/43/58/52/573435852.db2.gz QOJMENKUKMCRGX-SECBINFHSA-N 1 0 192.262 2.367 10 0 AEAERO 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/nfs/dbraw/zinc/43/61/78/573436178.db2.gz ILOMRDSSPKHTSQ-ZYHUDNBSSA-N 1 0 197.322 2.321 10 0 AEAERO Cc1cccc2c1C=C([C@H](C)[NH3+])C2 257812658 573435945 /nfs/dbraw/zinc/43/59/45/573435945.db2.gz BRCNKRPZYLECKB-VIFPVBQESA-N 1 0 173.259 2.282 10 0 AEAERO CC(C)[C@@H](C)CNC1=[NH+]CCC1 86455753 573436003 /nfs/dbraw/zinc/43/60/03/573436003.db2.gz TYJCIFBTVIVNOL-VIFPVBQESA-N 1 0 168.284 2.060 10 0 AEAERO CC[NH2+][C@H](C=C(C)C)c1cncn1C 126229647 573436018 /nfs/dbraw/zinc/43/60/18/573436018.db2.gz DASJRKYIJZVZBY-SNVBAGLBSA-N 1 0 193.294 2.037 10 0 AEAERO [NH3+][C@H]1CCc2cc3cc(F)ccc3n21 257813341 573436180 /nfs/dbraw/zinc/43/61/80/573436180.db2.gz CCSKIIWADQXCGT-LLVKDONJSA-N 1 0 190.221 2.184 10 0 AEAERO C[NH2+]CC1CC(C(C)(C)C)C1 83181968 573436093 /nfs/dbraw/zinc/43/60/93/573436093.db2.gz IYKFTACRJKZTOW-UHFFFAOYSA-N 1 0 155.285 2.278 10 0 AEAERO CCC[C@]1(c2cccc(O)c2)CC[NH2+]1 258020857 573436113 /nfs/dbraw/zinc/43/61/13/573436113.db2.gz FUKLSBPBZMVZEP-GFCCVEGCSA-N 1 0 191.274 2.381 10 0 AEAERO 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10 0 AEAERO CC[NH2+]C[C@]1(OC)CCC[C@H](C)C1 50503638 573436773 /nfs/dbraw/zinc/43/67/73/573436773.db2.gz TULPSKWAHLXEIV-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO CCO[C@H](C)C[NH2+]C1CC(C)(C)C1 308390453 573440939 /nfs/dbraw/zinc/44/09/39/573440939.db2.gz ZEVNAUZJKHVPRR-SECBINFHSA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@](C)(CC)CCO 308582037 573440943 /nfs/dbraw/zinc/44/09/43/573440943.db2.gz GVSFHYMLZILQHV-WOPDTQHZSA-N 1 0 199.338 2.316 10 0 AEAERO OC[C@@H]1CC[C@@H](C2CCCCCC2)[NH2+]1 257812588 573437562 /nfs/dbraw/zinc/43/75/62/573437562.db2.gz BVEADJSKBFLOLV-RYUDHWBXSA-N 1 0 197.322 2.070 10 0 AEAERO CCOCC[NH2+][C@@H]1CC[C@H](C(C)C)C1 308582573 573437354 /nfs/dbraw/zinc/43/73/54/573437354.db2.gz HFMYNPPGIBNNEJ-NWDGAFQWSA-N 1 0 199.338 2.437 10 0 AEAERO CC1(C)C(NC2=[NH+]CCC2)C1(C)C 86456099 573437367 /nfs/dbraw/zinc/43/73/67/573437367.db2.gz GMRRKWBQUOKHER-UHFFFAOYSA-N 1 0 180.295 2.203 10 0 AEAERO C[C@H](CC[NH3+])c1ccc(F)cc1C=O 258021776 573438317 /nfs/dbraw/zinc/43/83/17/573438317.db2.gz IJKSXZHSLCUENP-MRVPVSSYSA-N 1 0 195.237 2.091 10 0 AEAERO [NH3+]C1(c2cccs2)CC2(CC2)C1 83174440 573437421 /nfs/dbraw/zinc/43/74/21/573437421.db2.gz YKPUHRBBNBHGDF-UHFFFAOYSA-N 1 0 179.288 2.476 10 0 AEAERO C1=CC[C@@H](CNC2=[NH+]CCC2)CC1 86455286 573437440 /nfs/dbraw/zinc/43/74/40/573437440.db2.gz GVCLCPODAHMXRU-SNVBAGLBSA-N 1 0 178.279 2.125 10 0 AEAERO FC(F)(F)CCNC1=[NH+]CCCC1 86455526 573437453 /nfs/dbraw/zinc/43/74/53/573437453.db2.gz QCAJNLDPNZRLPQ-UHFFFAOYSA-N 1 0 194.200 2.111 10 0 AEAERO CCCC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 126260856 573437461 /nfs/dbraw/zinc/43/74/61/573437461.db2.gz XNRIAZOAHVBSGF-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO CC(C)[C@@H](C)CNC1=[NH+]CCCC1 86455757 573437503 /nfs/dbraw/zinc/43/75/03/573437503.db2.gz RYNMPOPRSQDXIY-JTQLQIEISA-N 1 0 182.311 2.451 10 0 AEAERO CC[C@@H](C)CNC1=[NH+]CCCC1 86455463 573437530 /nfs/dbraw/zinc/43/75/30/573437530.db2.gz YHWCIVGJCHTCNV-SECBINFHSA-N 1 0 168.284 2.205 10 0 AEAERO [NH3+][C@@H]1CCc2cc3cc(F)ccc3n21 257813342 573437535 /nfs/dbraw/zinc/43/75/35/573437535.db2.gz CCSKIIWADQXCGT-NSHDSACASA-N 1 0 190.221 2.184 10 0 AEAERO C1=CC[C@H](NC2=[NH+]CCCC2)CC1 86455967 573437540 /nfs/dbraw/zinc/43/75/40/573437540.db2.gz BGMBIPBMKKDIKY-JTQLQIEISA-N 1 0 178.279 2.267 10 0 AEAERO CCOc1ccc([C@@H]2C[NH2+][C@@H]2C)cc1 258655418 573437559 /nfs/dbraw/zinc/43/75/59/573437559.db2.gz RXKAINGWGAGLHQ-BXKDBHETSA-N 1 0 191.274 2.161 10 0 AEAERO [NH3+]C1(C(F)(F)C2CCCC2)CC1 257812714 573437620 /nfs/dbraw/zinc/43/76/20/573437620.db2.gz BTKOSKHBXVCNAJ-UHFFFAOYSA-N 1 0 175.222 2.303 10 0 AEAERO CC[C@H](C)[C@@H]([NH3+])c1ncc(C)o1 74333133 573437683 /nfs/dbraw/zinc/43/76/83/573437683.db2.gz SRTQSMCEBHETCI-POYBYMJQSA-N 1 0 168.240 2.029 10 0 AEAERO CC(C)[NH2+]CC1CC2(CCOCC2)C1 83172118 573437712 /nfs/dbraw/zinc/43/77/12/573437712.db2.gz PUVWTZQNIJBKHO-UHFFFAOYSA-N 1 0 197.322 2.191 10 0 AEAERO CC(C)(C)CO[C@@H]1CCC[NH2+]CC1 258021390 573437733 /nfs/dbraw/zinc/43/77/33/573437733.db2.gz PYIQLBDHWCBJLW-SNVBAGLBSA-N 1 0 185.311 2.191 10 0 AEAERO C[C@@H](NC1=[NH+]CCC1)C1CCCC1 86455668 573437739 /nfs/dbraw/zinc/43/77/39/573437739.db2.gz IOJIKSIPXNFZCY-SECBINFHSA-N 1 0 180.295 2.347 10 0 AEAERO C[C@@H]([NH3+])c1ncc(C(F)(F)F)s1 107236908 573437755 /nfs/dbraw/zinc/43/77/55/573437755.db2.gz DSIBHBGVCIFZNZ-GSVOUGTGSA-N 1 0 196.197 2.182 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)N(C)C1 126227462 573437768 /nfs/dbraw/zinc/43/77/68/573437768.db2.gz SEHYUGXFGTUAON-SRVKXCTJSA-N 1 0 198.354 2.103 10 0 AEAERO Cc1c(-c2ccccc2)noc1C[NH3+] 107232919 573437775 /nfs/dbraw/zinc/43/77/75/573437775.db2.gz IHYKZIHYQDRCKI-UHFFFAOYSA-N 1 0 188.230 2.109 10 0 AEAERO Cc1ccc2c(c1)C[C@@H]([C@@H](C)C[NH3+])C2 257812926 573437777 /nfs/dbraw/zinc/43/77/77/573437777.db2.gz BXYUTVZTLQTXNP-JQWIXIFHSA-N 1 0 189.302 2.305 10 0 AEAERO c1c(C2CC2)noc1[C@@H]1CCCC[NH2+]1 107233777 573437820 /nfs/dbraw/zinc/43/78/20/573437820.db2.gz QOJMENKUKMCRGX-VIFPVBQESA-N 1 0 192.262 2.367 10 0 AEAERO COC[C@@]1(C)C[C@@H](CC(C)(C)C)C[NH2+]1 258344438 573437830 /nfs/dbraw/zinc/43/78/30/573437830.db2.gz XYMUFOCNZHJWJN-ZYHUDNBSSA-N 1 0 199.338 2.437 10 0 AEAERO COc1ccc(/C=C(\C)C[NH3+])cc1C 211808576 573437852 /nfs/dbraw/zinc/43/78/52/573437852.db2.gz GMLUSMLNUZVRKY-RMKNXTFCSA-N 1 0 191.274 2.366 10 0 AEAERO C1=CC[C@@H](NC2=[NH+]CCCC2)CC1 86455968 573437874 /nfs/dbraw/zinc/43/78/74/573437874.db2.gz BGMBIPBMKKDIKY-SNVBAGLBSA-N 1 0 178.279 2.267 10 0 AEAERO C[C@]1(C(F)F)CCC[NH2+]CC1 258652384 573437880 /nfs/dbraw/zinc/43/78/80/573437880.db2.gz ZREDBDDVTSRIEO-QMMMGPOBSA-N 1 0 163.211 2.031 10 0 AEAERO CCc1noc([C@@H]2CCC[NH2+]C2)c1C 107235421 573437890 /nfs/dbraw/zinc/43/78/90/573437890.db2.gz OYDVMRUYOXCKIE-SECBINFHSA-N 1 0 194.278 2.012 10 0 AEAERO c1ccn(NC2=[NH+]CCCCC2)c1 86456076 573437894 /nfs/dbraw/zinc/43/78/94/573437894.db2.gz AHRYKGNVBHAXFF-UHFFFAOYSA-N 1 0 177.251 2.004 10 0 AEAERO CC[C@H](C)C[C@H]([NH3+])[C@@H]1CC[C@H](C)O1 126209612 573438563 /nfs/dbraw/zinc/43/85/63/573438563.db2.gz VOHZESBSYAXUJZ-NAKRPEOUSA-N 1 0 185.311 2.317 10 0 AEAERO CCn1ncc([C@@H](C)[NH3+])c1C(C)C 257813085 573437918 /nfs/dbraw/zinc/43/79/18/573437918.db2.gz BWEQYWNOHVWKST-MRVPVSSYSA-N 1 0 181.283 2.046 10 0 AEAERO Cc1csc(CCC2([NH3+])CC2)c1 257813169 573437930 /nfs/dbraw/zinc/43/79/30/573437930.db2.gz CAFFEQBDTXXXLH-UHFFFAOYSA-N 1 0 181.304 2.480 10 0 AEAERO CC[C@](C)([NH3+])Cc1cnc(C)s1 83186334 573438001 /nfs/dbraw/zinc/43/80/01/573438001.db2.gz JTSRUEUDWISZGJ-VIFPVBQESA-N 1 0 184.308 2.121 10 0 AEAERO CC1(C)C[C@H]1NC1=[NH+]CCCCC1 86455275 573438056 /nfs/dbraw/zinc/43/80/56/573438056.db2.gz GYBRBWCMLFXHKV-SECBINFHSA-N 1 0 180.295 2.347 10 0 AEAERO C1CC[NH+]=C(NC2CCC2)CC1 86455396 573438069 /nfs/dbraw/zinc/43/80/69/573438069.db2.gz DSMGAIZULSQYTQ-UHFFFAOYSA-N 1 0 166.268 2.101 10 0 AEAERO [NH3+]C1(c2ccccc2)CC2(CC2)C1 83174384 573438070 /nfs/dbraw/zinc/43/80/70/573438070.db2.gz BMPCYYWJUTZEMK-UHFFFAOYSA-N 1 0 173.259 2.415 10 0 AEAERO Cc1cc(C)n(C)c1CCC1([NH3+])CC1 257813303 573438073 /nfs/dbraw/zinc/43/80/73/573438073.db2.gz CBLFUBXOHPMSHG-UHFFFAOYSA-N 1 0 192.306 2.066 10 0 AEAERO CCNc1[nH+]cc(C)n1C(C)C 258344868 573438075 /nfs/dbraw/zinc/43/80/75/573438075.db2.gz YAQILMKODLSTEK-UHFFFAOYSA-N 1 0 167.256 2.204 10 0 AEAERO CCCCCC[C@H](O)C(C)(C)[NH3+] 126217162 573438106 /nfs/dbraw/zinc/43/81/06/573438106.db2.gz KJDUTPRSEQJMHV-VIFPVBQESA-N 1 0 173.300 2.055 10 0 AEAERO CC(C)C[C@@H](O)[C@H]([NH3+])c1ccccc1 126222227 573438132 /nfs/dbraw/zinc/43/81/32/573438132.db2.gz KGNMXRHRPYHDCL-VXGBXAGGSA-N 1 0 193.290 2.093 10 0 AEAERO CC1(CNC2=[NH+]CCC2)CCCC1 86455597 573438137 /nfs/dbraw/zinc/43/81/37/573438137.db2.gz YXPBGISZNNPLRM-UHFFFAOYSA-N 1 0 180.295 2.349 10 0 AEAERO CC(C)c1cnc(C[C@H](C)[NH3+])s1 107231183 573438158 /nfs/dbraw/zinc/43/81/58/573438158.db2.gz LQSGJKSUWPYUGZ-ZETCQYMHSA-N 1 0 184.308 2.156 10 0 AEAERO CCOc1ccc([C@H]2C[NH2+][C@H]2C)cc1 258655421 573438233 /nfs/dbraw/zinc/43/82/33/573438233.db2.gz RXKAINGWGAGLHQ-CABZTGNLSA-N 1 0 191.274 2.161 10 0 AEAERO C1=CC[C@H](CNC2=[NH+]CCC2)CC1 86455285 573438254 /nfs/dbraw/zinc/43/82/54/573438254.db2.gz GVCLCPODAHMXRU-JTQLQIEISA-N 1 0 178.279 2.125 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C)C1 126227934 573438304 /nfs/dbraw/zinc/43/83/04/573438304.db2.gz SEHYUGXFGTUAON-SDDRHHMPSA-N 1 0 198.354 2.103 10 0 AEAERO Cc1cccc(OC[C@](C)(F)C[NH3+])c1 257812947 573438330 /nfs/dbraw/zinc/43/83/30/573438330.db2.gz BYKKWAVOHPEFNY-LLVKDONJSA-N 1 0 197.253 2.061 10 0 AEAERO Cc1cc(Cl)c(C[NH3+])cc1C 83165645 573438341 /nfs/dbraw/zinc/43/83/41/573438341.db2.gz HSKXFZTWZFIZCW-UHFFFAOYSA-N 1 0 169.655 2.416 10 0 AEAERO C[C@H]([NH3+])c1cc(-c2ccccc2)no1 107232910 573438363 /nfs/dbraw/zinc/43/83/63/573438363.db2.gz MMNKTSNPGYCJHA-QMMMGPOBSA-N 1 0 188.230 2.361 10 0 AEAERO CC[NH2+][C@H](c1cncn1C)C(C)(C)C 126231613 573438372 /nfs/dbraw/zinc/43/83/72/573438372.db2.gz ROKJZOHGYYLOMF-SNVBAGLBSA-N 1 0 195.310 2.117 10 0 AEAERO Cc1ccc(C)n1NC1=[NH+]CCCC1 86456080 573438413 /nfs/dbraw/zinc/43/84/13/573438413.db2.gz AFNRJCUXBPNJQX-UHFFFAOYSA-N 1 0 191.278 2.231 10 0 AEAERO CO[C@H](C)C[NH2+][C@H]1CC[C@H](C2CC2)C1 308582569 573438433 /nfs/dbraw/zinc/43/84/33/573438433.db2.gz HFFYWCMWDCGDDW-USWWRNFRSA-N 1 0 197.322 2.190 10 0 AEAERO COc1ccc([C@@H](C)[NH+](C)C)cc1O 238395632 573438498 /nfs/dbraw/zinc/43/84/98/573438498.db2.gz QTMJAQZWHZZPBC-MRVPVSSYSA-N 1 0 195.262 2.023 10 0 AEAERO Cc1cccc2c1[C@H]([NH+](C)C)CCN2 257812566 573438515 /nfs/dbraw/zinc/43/85/15/573438515.db2.gz BUCZZOGWUHUATO-LLVKDONJSA-N 1 0 190.290 2.413 10 0 AEAERO CCOCC[NH2+][C@H]1CC[C@@H](C(C)C)C1 308582572 573438516 /nfs/dbraw/zinc/43/85/16/573438516.db2.gz HFMYNPPGIBNNEJ-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+][C@@H](CC1(COC)CCC1)C1CC1 308582455 573438597 /nfs/dbraw/zinc/43/85/97/573438597.db2.gz QBOWRZATRZHKAB-NSHDSACASA-N 1 0 197.322 2.191 10 0 AEAERO Cc1cccc(C)c1COCCC[NH3+] 126214088 573438636 /nfs/dbraw/zinc/43/86/36/573438636.db2.gz YQQGOGMUWBAMOO-UHFFFAOYSA-N 1 0 193.290 2.169 10 0 AEAERO C[C@H]([NH3+])Cc1cc2c(F)cccc2o1 258021460 573438653 /nfs/dbraw/zinc/43/86/53/573438653.db2.gz YKQKMUXGXYKXRK-ZETCQYMHSA-N 1 0 193.221 2.462 10 0 AEAERO CO[C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 257812838 573438690 /nfs/dbraw/zinc/43/86/90/573438690.db2.gz BWOCDVUFVMDYSH-NEPJUHHUSA-N 1 0 197.322 2.334 10 0 AEAERO CCc1n[nH]c([C@@H]2CCCC[NH2+]2)c1C 107234776 573438696 /nfs/dbraw/zinc/43/86/96/573438696.db2.gz VVXSLVHUGABOFD-JTQLQIEISA-N 1 0 193.294 2.095 10 0 AEAERO CCC1(CC)CC(C[NH2+]C)C1 83164713 573439192 /nfs/dbraw/zinc/43/91/92/573439192.db2.gz ZGHOQUNXTYVIQU-UHFFFAOYSA-N 1 0 155.285 2.422 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C)C1 126227261 573438788 /nfs/dbraw/zinc/43/87/88/573438788.db2.gz SEHYUGXFGTUAON-TUAOUCFPSA-N 1 0 198.354 2.103 10 0 AEAERO CC/C(=C/c1csc(C)n1)C[NH2+]C 211809990 573438822 /nfs/dbraw/zinc/43/88/22/573438822.db2.gz YXYNXPGVBCFQJB-UITAMQMPSA-N 1 0 196.319 2.464 10 0 AEAERO CCC1([C@H]([NH2+]C)C(F)F)CCC1 686125522 573438842 /nfs/dbraw/zinc/43/88/42/573438842.db2.gz AVYFRQXBUCXHOU-SSDOTTSWSA-N 1 0 177.238 2.420 10 0 AEAERO CO[C@@](C)(CC[NH3+])C1CCCCC1 257812683 573438846 /nfs/dbraw/zinc/43/88/46/573438846.db2.gz BSAHSVSFRGGCGI-NSHDSACASA-N 1 0 185.311 2.321 10 0 AEAERO C[C@@H]([NH3+])C[C@H]1COc2ccc(F)cc21 258031520 573438872 /nfs/dbraw/zinc/43/88/72/573438872.db2.gz KBTSTPFWPHEDGP-SFYZADRCSA-N 1 0 195.237 2.039 10 0 AEAERO CC1(C)C[C@@H]1NC1=[NH+]CCCCC1 86455274 573438884 /nfs/dbraw/zinc/43/88/84/573438884.db2.gz GYBRBWCMLFXHKV-VIFPVBQESA-N 1 0 180.295 2.347 10 0 AEAERO Fc1ccccc1C12CC(CC[NH2+]1)C2 258021350 573438901 /nfs/dbraw/zinc/43/89/01/573438901.db2.gz PXPOPKGJBOTFOX-UHFFFAOYSA-N 1 0 191.249 2.424 10 0 AEAERO CC[C@@H]1CC[C@H]1[NH2+][C@@](C)(CC)CCO 308582036 573438950 /nfs/dbraw/zinc/43/89/50/573438950.db2.gz GVSFHYMLZILQHV-UTUOFQBUSA-N 1 0 199.338 2.316 10 0 AEAERO Cc1c(C[NH3+])cnc2c(C)cccc12 257812686 573438968 /nfs/dbraw/zinc/43/89/68/573438968.db2.gz BSFHAVMHNZTZKD-UHFFFAOYSA-N 1 0 186.258 2.310 10 0 AEAERO [NH3+]CC1(CO)CC2(CCCCCC2)C1 83172643 573438994 /nfs/dbraw/zinc/43/89/94/573438994.db2.gz JDDPZMJCFBUAKW-UHFFFAOYSA-N 1 0 197.322 2.058 10 0 AEAERO Cc1ccc2c(C[C@H](C)[NH3+])onc2c1 257813001 573438995 /nfs/dbraw/zinc/43/89/95/573438995.db2.gz BZTUXNGUHSXZHY-QMMMGPOBSA-N 1 0 190.246 2.026 10 0 AEAERO [NH3+]C1(/C=C/c2cccc(F)c2)CC1 257813090 573439052 /nfs/dbraw/zinc/43/90/52/573439052.db2.gz BWIFACSZJVEPCV-SNAWJCMRSA-N 1 0 177.222 2.330 10 0 AEAERO CO[C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 257812842 573439090 /nfs/dbraw/zinc/43/90/90/573439090.db2.gz BWOCDVUFVMDYSH-RYUDHWBXSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H](NC1=[NH+]CCC1)C1CCCC1 86455667 573439092 /nfs/dbraw/zinc/43/90/92/573439092.db2.gz IOJIKSIPXNFZCY-VIFPVBQESA-N 1 0 180.295 2.347 10 0 AEAERO CCCC[C@@H]([NH2+]CC)c1cncn1C 126214893 573439095 /nfs/dbraw/zinc/43/90/95/573439095.db2.gz UBYVYGIDYGQRJO-SNVBAGLBSA-N 1 0 195.310 2.261 10 0 AEAERO Cc1ccc2c(C[C@@H](C)[NH3+])onc2c1 257812999 573439097 /nfs/dbraw/zinc/43/90/97/573439097.db2.gz BZTUXNGUHSXZHY-MRVPVSSYSA-N 1 0 190.246 2.026 10 0 AEAERO CC1(C)CC(C[NH2+]C2CC2)C1 83163153 573439107 /nfs/dbraw/zinc/43/91/07/573439107.db2.gz REXXLVDEWXJCRM-UHFFFAOYSA-N 1 0 153.269 2.175 10 0 AEAERO CC(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C)C1 126227741 573439121 /nfs/dbraw/zinc/43/91/21/573439121.db2.gz SEHYUGXFGTUAON-QJPTWQEYSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@H](CC1CC1)NC1=[NH+]CCCC1 86455642 573439140 /nfs/dbraw/zinc/43/91/40/573439140.db2.gz AUWOWZSIMSCMFH-SECBINFHSA-N 1 0 180.295 2.347 10 0 AEAERO CC(C)c1cc(C2CC[NH2+]CC2)on1 107235428 573439205 /nfs/dbraw/zinc/43/92/05/573439205.db2.gz RLBNTIATZLQZRG-UHFFFAOYSA-N 1 0 194.278 2.265 10 0 AEAERO CC[C@H](C)C[C@H]([NH2+]C)[C@H]1OCC[C@H]1C 126229188 573439213 /nfs/dbraw/zinc/43/92/13/573439213.db2.gz NIIMXUWPMNGMHK-USZNOCQGSA-N 1 0 199.338 2.436 10 0 AEAERO FC(F)(CC1C[NH2+]C1)C1CCC1 257813132 573439214 /nfs/dbraw/zinc/43/92/14/573439214.db2.gz BYFPWFJRLSMBIG-UHFFFAOYSA-N 1 0 175.222 2.031 10 0 AEAERO CC1(C)C(CNC2=[NH+]CCC2)C1(C)C 86456096 573439220 /nfs/dbraw/zinc/43/92/20/573439220.db2.gz UBOFFINIAQYHGO-UHFFFAOYSA-N 1 0 194.322 2.451 10 0 AEAERO [NH3+][C@@H]1CCCc2nc(Cl)ccc21 223064673 573439261 /nfs/dbraw/zinc/43/92/61/573439261.db2.gz OOINNTVVHDJXLD-SSDOTTSWSA-N 1 0 182.654 2.071 10 0 AEAERO Cc1ccc(CNC2=[NH+]CCC2)s1 86455312 573439278 /nfs/dbraw/zinc/43/92/78/573439278.db2.gz BFJMQXSLXLKOBM-UHFFFAOYSA-N 1 0 194.303 2.338 10 0 AEAERO C[C@@]1(C(F)F)CCC[NH2+]CC1 258652379 573440231 /nfs/dbraw/zinc/44/02/31/573440231.db2.gz ZREDBDDVTSRIEO-MRVPVSSYSA-N 1 0 163.211 2.031 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)c2ccc(O)cc21 238395458 573439381 /nfs/dbraw/zinc/43/93/81/573439381.db2.gz DHQXGQYUWUBANR-MRVPVSSYSA-N 1 0 191.274 2.334 10 0 AEAERO OC[C@H]1CC[C@H](C2CCCCCC2)[NH2+]1 257812589 573439409 /nfs/dbraw/zinc/43/94/09/573439409.db2.gz BVEADJSKBFLOLV-VXGBXAGGSA-N 1 0 197.322 2.070 10 0 AEAERO 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197.228 2.300 10 0 AEAERO [NH3+]C[C@]1(F)CCCc2ccccc21 107257752 573450100 /nfs/dbraw/zinc/45/01/00/573450100.db2.gz LLDOVXONMPGWFK-LLVKDONJSA-N 1 0 179.238 2.146 10 0 AEAERO CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@]1(C)O 308589468 573450105 /nfs/dbraw/zinc/45/01/05/573450105.db2.gz NXAOWKMYNDEYGO-SRVKXCTJSA-N 1 0 199.338 2.410 10 0 AEAERO CCOC1CC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 308589304 573450169 /nfs/dbraw/zinc/45/01/69/573450169.db2.gz ULHDXQJNVZEABZ-GQYKCQBRSA-N 1 0 197.322 2.188 10 0 AEAERO CCc1nc([C@@H]2CCC[NH2+]2)cs1 83275049 573450199 /nfs/dbraw/zinc/45/01/99/573450199.db2.gz CXSITYNJQRSRPI-ZETCQYMHSA-N 1 0 182.292 2.130 10 0 AEAERO F[C@@H]1c2ccccc2[C@H]2[NH2+]CC[C@@H]12 107260268 573450224 /nfs/dbraw/zinc/45/02/24/573450224.db2.gz IHAMLIUQRBHZSK-HBNTYKKESA-N 1 0 177.222 2.361 10 0 AEAERO CN(C)CC[NH2+]C(C)(C)C1CCCC1 308587850 573450283 /nfs/dbraw/zinc/45/02/83/573450283.db2.gz JDIOQVVDLIWOJD-UHFFFAOYSA-N 1 0 198.354 2.106 10 0 AEAERO F[C@H]1C[NH2+][C@@H](C2CCCCC2)C1 107257718 573450285 /nfs/dbraw/zinc/45/02/85/573450285.db2.gz VSFBAFVQKOCTFF-NXEZZACHSA-N 1 0 171.259 2.267 10 0 AEAERO C[C@H]1Cc2cc(F)cc([C@H](C)[NH3+])c2O1 259452086 573450354 /nfs/dbraw/zinc/45/03/54/573450354.db2.gz MAJBFUAIPLAXAV-BQBZGAKWSA-N 1 0 195.237 2.169 10 0 AEAERO [NH3+]C[C@H](OC1CCC1)c1ccccc1 50519348 573450375 /nfs/dbraw/zinc/45/03/75/573450375.db2.gz KWYDQUMNTLCHCX-LBPRGKRZSA-N 1 0 191.274 2.256 10 0 AEAERO COC[C@H](C)[C@@H](C)[NH2+][C@H]1CC=CCC1 308589402 573450418 /nfs/dbraw/zinc/45/04/18/573450418.db2.gz JSNQKRBAXZDZKF-TUAOUCFPSA-N 1 0 197.322 2.356 10 0 AEAERO [NH3+]Cc1ccc2c(c1)C(F)(F)CCO2 107257131 573450449 /nfs/dbraw/zinc/45/04/49/573450449.db2.gz VHTLOEBLWNCDPV-UHFFFAOYSA-N 1 0 199.200 2.020 10 0 AEAERO FC(F)[C@H]1C[NH2+][C@@H]1c1ccccc1 257817383 573450463 /nfs/dbraw/zinc/45/04/63/573450463.db2.gz DQWKNZKEZKJRJR-DTWKUNHWSA-N 1 0 183.201 2.212 10 0 AEAERO NCC1([NH2+]C2CCCCCC2)CCC1 86475228 573450496 /nfs/dbraw/zinc/45/04/96/573450496.db2.gz GDZLOSYICPVHGQ-UHFFFAOYSA-N 1 0 196.338 2.180 10 0 AEAERO F[C@@H]1C[NH2+][C@@H](C2CCCCC2)C1 107257711 573450538 /nfs/dbraw/zinc/45/05/38/573450538.db2.gz VSFBAFVQKOCTFF-VHSXEESVSA-N 1 0 171.259 2.267 10 0 AEAERO C[C@]1(C2CCCCCC2)C[C@H](O)C[NH2+]1 258037784 573450549 /nfs/dbraw/zinc/45/05/49/573450549.db2.gz JCBWSKNZVSNART-NWDGAFQWSA-N 1 0 197.322 2.070 10 0 AEAERO COCC[C@H](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 308589473 573450565 /nfs/dbraw/zinc/45/05/65/573450565.db2.gz NXLHXVKALXIROW-YEJSDXFRSA-N 1 0 197.322 2.190 10 0 AEAERO C[C@H]([NH3+])[C@H](OC1CCC1)c1ccco1 50519335 573450570 /nfs/dbraw/zinc/45/05/70/573450570.db2.gz XJTHLEUIHHQFOJ-KWQFWETISA-N 1 0 195.262 2.237 10 0 AEAERO FC(F)[C@@H]1C[NH2+][C@H]1c1ccccc1 257817381 573450573 /nfs/dbraw/zinc/45/05/73/573450573.db2.gz DQWKNZKEZKJRJR-BDAKNGLRSA-N 1 0 183.201 2.212 10 0 AEAERO [NH3+]C[C@@H]1Cc2ccccc2[C@@H](F)C1 107257339 573453144 /nfs/dbraw/zinc/45/31/44/573453144.db2.gz YGTTXLRDEFLDEJ-KCJUWKMLSA-N 1 0 179.238 2.218 10 0 AEAERO F[C@@H]1C[NH2+][C@H](C2CCCCC2)C1 107257707 573450636 /nfs/dbraw/zinc/45/06/36/573450636.db2.gz VSFBAFVQKOCTFF-UWVGGRQHSA-N 1 0 171.259 2.267 10 0 AEAERO CC[C@@H](CC1CC1)[NH2+]CCC[C@H](C)O 308589880 573450661 /nfs/dbraw/zinc/45/06/61/573450661.db2.gz URNWXURWZCAOCM-JQWIXIFHSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[NH2+][C@H]1CCC[C@H]1OC1CCC1 50519761 573450670 /nfs/dbraw/zinc/45/06/70/573450670.db2.gz VLKSVMTXZUOPBL-NWDGAFQWSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@@H]([NH3+])C1=CCCc2cc(O)ccc21 257817663 573450674 /nfs/dbraw/zinc/45/06/74/573450674.db2.gz DVXGHSFOJWPLSQ-MRVPVSSYSA-N 1 0 189.258 2.069 10 0 AEAERO Oc1ccc([C@H](F)CC2C[NH2+]C2)cc1 257817194 573451722 /nfs/dbraw/zinc/45/17/22/573451722.db2.gz DQQIIHHWIZTJQK-LLVKDONJSA-N 1 0 195.237 2.012 10 0 AEAERO CC(C)c1nc(CC[NH3+])[nH]c1C(C)C 257816828 573450693 /nfs/dbraw/zinc/45/06/93/573450693.db2.gz DPNZMMWRDIABMC-UHFFFAOYSA-N 1 0 195.310 2.158 10 0 AEAERO CC[C@H](C)[C@@H](CO)[NH2+]CC=C1CCC1 308588958 573450698 /nfs/dbraw/zinc/45/06/98/573450698.db2.gz JMXBPASAVQATJB-CMPLNLGQSA-N 1 0 197.322 2.093 10 0 AEAERO CC[C@@]1(c2ccncc2)CCC[NH2+]1 258352378 573450727 /nfs/dbraw/zinc/45/07/27/573450727.db2.gz YQHBWQKEFRPIKK-NSHDSACASA-N 1 0 176.263 2.070 10 0 AEAERO C[C@@H]([NH2+]Cc1ccc[nH]1)c1ccc[nH]1 308589650 573450751 /nfs/dbraw/zinc/45/07/51/573450751.db2.gz JUYRMMBEZCPTIY-SECBINFHSA-N 1 0 189.262 2.194 10 0 AEAERO C[C@H]1Cc2cc(F)cc([C@@H](C)[NH3+])c2O1 259452087 573450761 /nfs/dbraw/zinc/45/07/61/573450761.db2.gz MAJBFUAIPLAXAV-NKWVEPMBSA-N 1 0 195.237 2.169 10 0 AEAERO CC(C)([NH3+])c1csc(C2CC2)n1 83275059 573450772 /nfs/dbraw/zinc/45/07/72/573450772.db2.gz FNUZXZYMULQVPN-UHFFFAOYSA-N 1 0 182.292 2.214 10 0 AEAERO C[C@](F)(C[C@@H]1CC[NH2+]C1)C1CC1 257817412 573450779 /nfs/dbraw/zinc/45/07/79/573450779.db2.gz DRBUANBWYBUXDV-WPRPVWTQSA-N 1 0 171.259 2.124 10 0 AEAERO Fc1ccccc1[C@@H]1C[C@H](F)C[NH2+]1 107261393 573450783 /nfs/dbraw/zinc/45/07/83/573450783.db2.gz VRXGQASFGIEIIF-XVKPBYJWSA-N 1 0 183.201 2.198 10 0 AEAERO CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@]1(C)O 308589469 573450791 /nfs/dbraw/zinc/45/07/91/573450791.db2.gz NXAOWKMYNDEYGO-TUAOUCFPSA-N 1 0 199.338 2.410 10 0 AEAERO Cc1sc(CC[NH3+])nc1CC(C)C 257816919 573450803 /nfs/dbraw/zinc/45/08/03/573450803.db2.gz CECISAWEFREWMK-UHFFFAOYSA-N 1 0 198.335 2.151 10 0 AEAERO CC[C@@](C)(C[NH2+]C1CC(C)C1)[C@@H](C)O 308588903 573450814 /nfs/dbraw/zinc/45/08/14/573450814.db2.gz JLBZRRBRZOPULH-RSJDFQLWSA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@@H]1CCCC[N@@H+]1C1(CN)CCC1 86474946 573450821 /nfs/dbraw/zinc/45/08/21/573450821.db2.gz PVLUDUVMYJZHAV-LLVKDONJSA-N 1 0 196.338 2.132 10 0 AEAERO C[C@@H](CCC1CC1)[NH2+]C(C)(C)[C@H](C)O 308589763 573450822 /nfs/dbraw/zinc/45/08/22/573450822.db2.gz JWZDOXPIXPYJTJ-UWVGGRQHSA-N 1 0 199.338 2.314 10 0 AEAERO Fc1ccccc1[C@H]1C[C@H](F)C[NH2+]1 107261396 573450875 /nfs/dbraw/zinc/45/08/75/573450875.db2.gz VRXGQASFGIEIIF-OIBJUYFYSA-N 1 0 183.201 2.198 10 0 AEAERO CC[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CCOCC1 308588196 573451727 /nfs/dbraw/zinc/45/17/27/573451727.db2.gz JGDQLQVGIJAZSX-HOSYDEDBSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C1CCOCC1 308588197 573450927 /nfs/dbraw/zinc/45/09/27/573450927.db2.gz JGDQLQVGIJAZSX-UMNHJUIQSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@]1(c2ccncc2)CCC[NH2+]1 258352375 573450941 /nfs/dbraw/zinc/45/09/41/573450941.db2.gz YQHBWQKEFRPIKK-LLVKDONJSA-N 1 0 176.263 2.070 10 0 AEAERO [NH3+]C[C@H]1CCc2ccccc2[C@H]1F 107258402 573450942 /nfs/dbraw/zinc/45/09/42/573450942.db2.gz KFZRELJBEDBNNB-KOLCDFICSA-N 1 0 179.238 2.218 10 0 AEAERO CC[N@H+](CC(C)C)[C@@H]1CCC[C@]1(C)O 308587471 573450960 /nfs/dbraw/zinc/45/09/60/573450960.db2.gz MYNGIAOCWITNDC-NEPJUHHUSA-N 1 0 199.338 2.268 10 0 AEAERO [NH3+]CC1(F)CCCCCC1 107257575 573451001 /nfs/dbraw/zinc/45/10/01/573451001.db2.gz NUVSMBBMTNODAX-UHFFFAOYSA-N 1 0 145.221 2.008 10 0 AEAERO FC(F)[C@H]1C[NH2+][C@H]1c1ccccc1 257817384 573450973 /nfs/dbraw/zinc/45/09/73/573450973.db2.gz DQWKNZKEZKJRJR-IUCAKERBSA-N 1 0 183.201 2.212 10 0 AEAERO C[C@@]1(C2CCCCCC2)C[C@@H](O)C[NH2+]1 258037782 573451737 /nfs/dbraw/zinc/45/17/37/573451737.db2.gz JCBWSKNZVSNART-NEPJUHHUSA-N 1 0 197.322 2.070 10 0 AEAERO [NH3+]Cc1ccc2c3c[nH]ccc-3nc2c1 259450317 573451012 /nfs/dbraw/zinc/45/10/12/573451012.db2.gz MZZLDIUNBMFPAG-UHFFFAOYSA-N 1 0 197.241 2.175 10 0 AEAERO C[C@](F)(C[NH3+])c1c[nH]c2ccccc12 107258289 573451017 /nfs/dbraw/zinc/45/10/17/573451017.db2.gz FTAAAYYAEAVUTO-NSHDSACASA-N 1 0 192.237 2.311 10 0 AEAERO [NH3+]C[C@@]1(F)CCCc2ccccc21 107257749 573451055 /nfs/dbraw/zinc/45/10/55/573451055.db2.gz LLDOVXONMPGWFK-NSHDSACASA-N 1 0 179.238 2.146 10 0 AEAERO C[C@@H]([NH3+])[C@@H](OC1CCC1)C(C)(C)C 50519412 573451056 /nfs/dbraw/zinc/45/10/56/573451056.db2.gz KHULFCRUHSZNRR-PSASIEDQSA-N 1 0 185.311 2.317 10 0 AEAERO C[NH2+][C@@H](C)C1=CCc2cccc(F)c21 257817188 573451063 /nfs/dbraw/zinc/45/10/63/573451063.db2.gz DQISTWANGXJKQG-QMMMGPOBSA-N 1 0 191.249 2.373 10 0 AEAERO CCC[NH2+][C@@H](C)CCOC1CCC1 50520360 573451064 /nfs/dbraw/zinc/45/10/64/573451064.db2.gz LFOHBCHSKLVLGM-JTQLQIEISA-N 1 0 185.311 2.334 10 0 AEAERO CC[C@H]([NH2+][C@H](CO)[C@@H](C)CC)C1CC1 130059814 573451125 /nfs/dbraw/zinc/45/11/25/573451125.db2.gz HGBUQDOBOAPOGE-ZMLRMANQSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@@](F)(C[C@H]1CC[NH2+]C1)C1CC1 257817407 573451257 /nfs/dbraw/zinc/45/12/57/573451257.db2.gz DRBUANBWYBUXDV-PSASIEDQSA-N 1 0 171.259 2.124 10 0 AEAERO CC(C)C[C@@H]([NH3+])c1cccc(N)c1 257816749 573451258 /nfs/dbraw/zinc/45/12/58/573451258.db2.gz DKNYWSOKESUXOK-LLVKDONJSA-N 1 0 178.279 2.315 10 0 AEAERO C[C@H]([NH3+])C1=CCCc2ccc(O)cc21 257817233 573451265 /nfs/dbraw/zinc/45/12/65/573451265.db2.gz DSBHWTLVKZHVBW-QMMMGPOBSA-N 1 0 189.258 2.069 10 0 AEAERO CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@]1(C)O 308589466 573451353 /nfs/dbraw/zinc/45/13/53/573451353.db2.gz NXAOWKMYNDEYGO-QJPTWQEYSA-N 1 0 199.338 2.410 10 0 AEAERO F[C@@H]1c2ccccc2[C@@H]2[NH2+]CC[C@@H]12 107260273 573451355 /nfs/dbraw/zinc/45/13/55/573451355.db2.gz IHAMLIUQRBHZSK-AXFHLTTASA-N 1 0 177.222 2.361 10 0 AEAERO CCC[NH2+][C@H](C)CCOC1CCC1 50520361 573451365 /nfs/dbraw/zinc/45/13/65/573451365.db2.gz LFOHBCHSKLVLGM-SNVBAGLBSA-N 1 0 185.311 2.334 10 0 AEAERO CCC1(C[NH2+][C@@]2(C)CCOC2)CCC1 308588023 573451368 /nfs/dbraw/zinc/45/13/68/573451368.db2.gz TUDQAPAMGYDNEB-NSHDSACASA-N 1 0 197.322 2.335 10 0 AEAERO CC[C@]1(Cc2ccccc2O)CC[NH2+]1 258346884 573451369 /nfs/dbraw/zinc/45/13/69/573451369.db2.gz VSOWNBCOMYVEEZ-GFCCVEGCSA-N 1 0 191.274 2.077 10 0 AEAERO [NH3+]CC1(c2ccccc2)CC(F)C1 107261061 573451385 /nfs/dbraw/zinc/45/13/85/573451385.db2.gz LOCFLTYDPJCCHI-UHFFFAOYSA-N 1 0 179.238 2.015 10 0 AEAERO CSC(=[NH2+])N(C)c1ccc(O)cc1 238400817 573451407 /nfs/dbraw/zinc/45/14/07/573451407.db2.gz NLYJUHMJJAUWBI-UHFFFAOYSA-N 1 0 196.275 2.126 10 0 AEAERO Cc1ccc2c(c1)CC[C@@]2(F)C[NH3+] 257817481 573451433 /nfs/dbraw/zinc/45/14/33/573451433.db2.gz DSFAJTYYYLKNLX-LLVKDONJSA-N 1 0 179.238 2.065 10 0 AEAERO [NH3+][C@H](COC1CCC1)c1ccccc1 50520243 573451439 /nfs/dbraw/zinc/45/14/39/573451439.db2.gz LFFIOJGGBBDHRW-GFCCVEGCSA-N 1 0 191.274 2.256 10 0 AEAERO CCCC[C@@](C)(F)C1C[NH2+]C1 686254062 573451445 /nfs/dbraw/zinc/45/14/45/573451445.db2.gz TTWLNGDPJUYSKA-SECBINFHSA-N 1 0 159.248 2.124 10 0 AEAERO C[C@@H]([NH3+])C1=CCCc2ccc(O)cc21 257817232 573451462 /nfs/dbraw/zinc/45/14/62/573451462.db2.gz DSBHWTLVKZHVBW-MRVPVSSYSA-N 1 0 189.258 2.069 10 0 AEAERO C[C@H]([NH2+]Cc1ccon1)[C@@H]1CC1(C)C 308588216 573451493 /nfs/dbraw/zinc/45/14/93/573451493.db2.gz JGRKPLPLPSTYLJ-WPRPVWTQSA-N 1 0 194.278 2.199 10 0 AEAERO Cc1ccc([C@H](C[NH3+])OC2CCC2)o1 50519456 573451499 /nfs/dbraw/zinc/45/14/99/573451499.db2.gz IYFAHPBQDCUINK-NSHDSACASA-N 1 0 195.262 2.157 10 0 AEAERO CC[C@@H](C[NH3+])COc1ccccc1F 258348074 573451586 /nfs/dbraw/zinc/45/15/86/573451586.db2.gz ZPADPICMKLISED-VIFPVBQESA-N 1 0 197.253 2.189 10 0 AEAERO C[C@H]([NH3+])[C@@H](OC1CCC1)C(C)(C)C 50519411 573451617 /nfs/dbraw/zinc/45/16/17/573451617.db2.gz KHULFCRUHSZNRR-WCBMZHEXSA-N 1 0 185.311 2.317 10 0 AEAERO Cc1ccc([C@@H](C[NH3+])OC2CCC2)o1 50519455 573451747 /nfs/dbraw/zinc/45/17/47/573451747.db2.gz IYFAHPBQDCUINK-LLVKDONJSA-N 1 0 195.262 2.157 10 0 AEAERO [NH3+]C[C@@H]1Cc2ccccc2[C@H](F)C1 107257349 573453166 /nfs/dbraw/zinc/45/31/66/573453166.db2.gz YGTTXLRDEFLDEJ-LDYMZIIASA-N 1 0 179.238 2.218 10 0 AEAERO C[NH2+]CC/C=C\c1ccc(O)cc1 258352251 573452215 /nfs/dbraw/zinc/45/22/15/573452215.db2.gz YOPVPSBKUDEBEB-RQOWECAXSA-N 1 0 177.247 2.015 10 0 AEAERO CCC[NH2+][C@@H]1CCC[C@H]1OC1CCC1 50519760 573452216 /nfs/dbraw/zinc/45/22/16/573452216.db2.gz VLKSVMTXZUOPBL-VXGBXAGGSA-N 1 0 197.322 2.476 10 0 AEAERO [NH3+]C1(c2ccc3cccc(O)c3c2)CC1 257817356 573452219 /nfs/dbraw/zinc/45/22/19/573452219.db2.gz CGYAUEAHNKEYNM-UHFFFAOYSA-N 1 0 199.253 2.493 10 0 AEAERO CCCCC[N@@H+]1C[C@@H](CO)CC1(C)C 259452125 573452262 /nfs/dbraw/zinc/45/22/62/573452262.db2.gz PJLFYSHWGSCFHB-NSHDSACASA-N 1 0 199.338 2.269 10 0 AEAERO NCC1([NH+]2CCCCCCC2)CCC1 86474938 573452294 /nfs/dbraw/zinc/45/22/94/573452294.db2.gz RFBNPFWWTHCQKK-UHFFFAOYSA-N 1 0 196.338 2.134 10 0 AEAERO Fc1ccccc1[C@@H]1C[C@@H](F)C[NH2+]1 107261399 573452299 /nfs/dbraw/zinc/45/22/99/573452299.db2.gz VRXGQASFGIEIIF-XCBNKYQSSA-N 1 0 183.201 2.198 10 0 AEAERO CCC1(C[N@H+](C)CC[C@H](C)O)CCC1 308588857 573452338 /nfs/dbraw/zinc/45/23/38/573452338.db2.gz UFMNBWIQEBPCRF-NSHDSACASA-N 1 0 199.338 2.269 10 0 AEAERO [NH3+][C@H]1Cc2ccccc2C(F)(F)C1 107257365 573452355 /nfs/dbraw/zinc/45/23/55/573452355.db2.gz FTAHGLBCVKXXTC-QMMMGPOBSA-N 1 0 183.201 2.052 10 0 AEAERO CC[C@H](CC1CC1)[NH2+]CCC[C@H](C)O 308589879 573452356 /nfs/dbraw/zinc/45/23/56/573452356.db2.gz URNWXURWZCAOCM-CMPLNLGQSA-N 1 0 199.338 2.316 10 0 AEAERO C[C@H]1CCCCC[N@@H+]1C1(CN)CCC1 86475210 573452369 /nfs/dbraw/zinc/45/23/69/573452369.db2.gz SUPAGEHQLRJKEB-NSHDSACASA-N 1 0 196.338 2.132 10 0 AEAERO CSC(=[NH2+])NCc1ccc(F)cc1 238401278 573452373 /nfs/dbraw/zinc/45/23/73/573452373.db2.gz JYBVUQWDXFHXLI-UHFFFAOYSA-N 1 0 198.266 2.213 10 0 AEAERO [NH3+]C[C@H](OC1CCC1)c1cccs1 50519334 573452380 /nfs/dbraw/zinc/45/23/80/573452380.db2.gz JKQGWDVIXQPTBO-VIFPVBQESA-N 1 0 197.303 2.317 10 0 AEAERO C1CC[C@H](CCOC2CCC2)[NH2+]C1 50520591 573452456 /nfs/dbraw/zinc/45/24/56/573452456.db2.gz OPDGQCMNHQLSIG-SNVBAGLBSA-N 1 0 183.295 2.088 10 0 AEAERO Cc1oc(C(C)C)nc1[C@H]1CC[NH2+]C1 257816756 573452473 /nfs/dbraw/zinc/45/24/73/573452473.db2.gz DMGDRAJKSCCIDK-VIFPVBQESA-N 1 0 194.278 2.183 10 0 AEAERO CCC[NH2+][C@@H](CC)COC1CCC1 50519966 573452484 /nfs/dbraw/zinc/45/24/84/573452484.db2.gz PVGXNMVOXAHEMH-JTQLQIEISA-N 1 0 185.311 2.334 10 0 AEAERO Cc1coc(C)c1C(C)(C)[NH3+] 83268450 573452502 /nfs/dbraw/zinc/45/25/02/573452502.db2.gz UMBGRMKBAXNHQD-UHFFFAOYSA-N 1 0 153.225 2.090 10 0 AEAERO [NH3+]C[C@@H](F)c1c[nH]c2ccccc12 107257277 573452518 /nfs/dbraw/zinc/45/25/18/573452518.db2.gz QNVILPGXBFRLDU-SECBINFHSA-N 1 0 178.210 2.137 10 0 AEAERO [NH3+]CC1(c2ccccc2F)CC(F)C1 107261105 573452536 /nfs/dbraw/zinc/45/25/36/573452536.db2.gz PDBLQLKYTUQAOK-UHFFFAOYSA-N 1 0 197.228 2.154 10 0 AEAERO CC(C)(C)[C@H]([NH3+])[C@@H](N)c1ccccc1 83261796 573452549 /nfs/dbraw/zinc/45/25/49/573452549.db2.gz CWOBHRRVNKFADD-WDEREUQCSA-N 1 0 192.306 2.060 10 0 AEAERO C[C@@H]([NH3+])CCCCOC1CCC1 50519985 573452564 /nfs/dbraw/zinc/45/25/64/573452564.db2.gz GUHUMLXYIMGITD-SECBINFHSA-N 1 0 171.284 2.073 10 0 AEAERO CC1(C)C[C@H](c2ccco2)C[NH2+]1 258348396 573452620 /nfs/dbraw/zinc/45/26/20/573452620.db2.gz YHOIYUDTHPENPY-QMMMGPOBSA-N 1 0 165.236 2.135 10 0 AEAERO CC1(C)C[C@@H](c2ccco2)C[NH2+]1 258348395 573452687 /nfs/dbraw/zinc/45/26/87/573452687.db2.gz YHOIYUDTHPENPY-MRVPVSSYSA-N 1 0 165.236 2.135 10 0 AEAERO CC(F)(F)c1cc(C[NH3+])ccc1F 107258015 573452713 /nfs/dbraw/zinc/45/27/13/573452713.db2.gz BFNIOKYRHGAOQZ-UHFFFAOYSA-N 1 0 189.180 2.396 10 0 AEAERO [NH3+]C[C@@H]1CCc2ccccc2[C@@H]1F 107258411 573452732 /nfs/dbraw/zinc/45/27/32/573452732.db2.gz KFZRELJBEDBNNB-GXSJLCMTSA-N 1 0 179.238 2.218 10 0 AEAERO Cc1nc(CCC2([NH3+])CC2)c(C)s1 257816825 573452750 /nfs/dbraw/zinc/45/27/50/573452750.db2.gz DPJAVRKMPFEBMD-UHFFFAOYSA-N 1 0 196.319 2.184 10 0 AEAERO c1nc([C@@H]2CCCCC[NH2+]2)cs1 83275101 573452777 /nfs/dbraw/zinc/45/27/77/573452777.db2.gz YZTMPPQHJTVDED-QMMMGPOBSA-N 1 0 182.292 2.348 10 0 AEAERO C[C@@H]1CCCCC[N@@H+]1C1(CN)CCC1 86475209 573452795 /nfs/dbraw/zinc/45/27/95/573452795.db2.gz SUPAGEHQLRJKEB-LLVKDONJSA-N 1 0 196.338 2.132 10 0 AEAERO CC[C@@]1(c2cccc(O)c2)C[C@H]1C[NH3+] 257816780 573453293 /nfs/dbraw/zinc/45/32/93/573453293.db2.gz DNJCSPHTZNLQJJ-JQWIXIFHSA-N 1 0 191.274 2.019 10 0 AEAERO C[C@H]([NH3+])C1=CCCc2cc(O)ccc21 257817664 573452875 /nfs/dbraw/zinc/45/28/75/573452875.db2.gz DVXGHSFOJWPLSQ-QMMMGPOBSA-N 1 0 189.258 2.069 10 0 AEAERO Cc1ccc([C@H](C[NH3+])C(C)C)[nH]1 83270126 573452892 /nfs/dbraw/zinc/45/28/92/573452892.db2.gz UFCBDPZYQQULAN-SECBINFHSA-N 1 0 166.268 2.021 10 0 AEAERO c1ccc(C[C@@H]2[NH2+]CC3CC2C3)cc1 257817135 573452898 /nfs/dbraw/zinc/45/28/98/573452898.db2.gz DPJVOXPOMAHSGZ-BPCQOVAHSA-N 1 0 187.286 2.227 10 0 AEAERO [NH3+]C[C@H]1Cc2ccccc2[C@H](F)C1 107257344 573452916 /nfs/dbraw/zinc/45/29/16/573452916.db2.gz YGTTXLRDEFLDEJ-GZMMTYOYSA-N 1 0 179.238 2.218 10 0 AEAERO [NH3+]C[C@H]1CCc2ccccc2[C@@H]1F 107258407 573452933 /nfs/dbraw/zinc/45/29/33/573452933.db2.gz KFZRELJBEDBNNB-MWLCHTKSSA-N 1 0 179.238 2.218 10 0 AEAERO C[C@H]([NH2+][C@H](C)CN(C)C)C1CCCC1 130073738 573453012 /nfs/dbraw/zinc/45/30/12/573453012.db2.gz KJWZYQCUUOLWSG-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO [NH3+]C[C@@H]1CCc2ccccc2[C@H]1F 107258404 573453021 /nfs/dbraw/zinc/45/30/21/573453021.db2.gz KFZRELJBEDBNNB-ONGXEEELSA-N 1 0 179.238 2.218 10 0 AEAERO C[C@@](F)(C[NH3+])c1c[nH]c2ccccc12 107258287 573453113 /nfs/dbraw/zinc/45/31/13/573453113.db2.gz FTAAAYYAEAVUTO-LLVKDONJSA-N 1 0 192.237 2.311 10 0 AEAERO C[N@H+](C1CCCCC1)C1(CN)CCC1 86474916 573453138 /nfs/dbraw/zinc/45/31/38/573453138.db2.gz MZOVOLCHOZHRAP-UHFFFAOYSA-N 1 0 196.338 2.132 10 0 AEAERO CC[C@@H](O)CCC[NH2+][C@H](C)C1(C)CC1 130163200 573456330 /nfs/dbraw/zinc/45/63/30/573456330.db2.gz VIGWQLACKQRJPH-GHMZBOCLSA-N 1 0 199.338 2.316 10 0 AEAERO CC1(C)C[NH2+][C@@](C)(c2ccccc2)O1 258360972 573454094 /nfs/dbraw/zinc/45/40/94/573454094.db2.gz GFZJPQSJXPJFGV-GFCCVEGCSA-N 1 0 191.274 2.258 10 0 AEAERO CC(=O)[C@@H]([NH+]1CCCCC1)C(C)(C)C 259455030 573454096 /nfs/dbraw/zinc/45/40/96/573454096.db2.gz WKEVLXJHFVIOKH-LLVKDONJSA-N 1 0 197.322 2.476 10 0 AEAERO CC[C@H](O)CCC[NH2+][C@@H](C)C1(C)CC1 130162575 573456805 /nfs/dbraw/zinc/45/68/05/573456805.db2.gz VIGWQLACKQRJPH-QWRGUYRKSA-N 1 0 199.338 2.316 10 0 AEAERO [NH3+]C[C@@H](F)c1c(F)cccc1Cl 107257894 573454123 /nfs/dbraw/zinc/45/41/23/573454123.db2.gz AKEBADDZVSJTKG-SSDOTTSWSA-N 1 0 191.608 2.448 10 0 AEAERO F[C@H]1C[NH2+][C@H](C2CCCCC2)C1 107257714 573454184 /nfs/dbraw/zinc/45/41/84/573454184.db2.gz VSFBAFVQKOCTFF-ZJUUUORDSA-N 1 0 171.259 2.267 10 0 AEAERO C[NH2+][C@H](C)C1=CCc2cccc(F)c21 257817186 573454207 /nfs/dbraw/zinc/45/42/07/573454207.db2.gz DQISTWANGXJKQG-MRVPVSSYSA-N 1 0 191.249 2.373 10 0 AEAERO Cc1ccoc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)O 308590078 573454247 /nfs/dbraw/zinc/45/42/47/573454247.db2.gz JZQQRSCUZSTJPR-LPEHRKFASA-N 1 0 197.278 2.008 10 0 AEAERO CCCC[C@](C)(F)C1C[NH2+]C1 686254063 573454256 /nfs/dbraw/zinc/45/42/56/573454256.db2.gz TTWLNGDPJUYSKA-VIFPVBQESA-N 1 0 159.248 2.124 10 0 AEAERO C[C@@H]([NH3+])c1cnc(-c2cccs2)o1 83279620 573454262 /nfs/dbraw/zinc/45/42/62/573454262.db2.gz AWUFBMTUEARZPP-ZCFIWIBFSA-N 1 0 194.259 2.423 10 0 AEAERO [NH3+][C@@H]1Cc2ccccc2C(F)(F)C1 107257369 573454273 /nfs/dbraw/zinc/45/42/73/573454273.db2.gz FTAHGLBCVKXXTC-MRVPVSSYSA-N 1 0 183.201 2.052 10 0 AEAERO CN(c1ccccc1)C1(C[NH3+])CCC1 86474907 573454316 /nfs/dbraw/zinc/45/43/16/573454316.db2.gz GTTANQJYCKFYSG-UHFFFAOYSA-N 1 0 190.290 2.004 10 0 AEAERO C[C@@](F)(C[C@@H]1CC[NH2+]C1)C1CC1 257817410 573454451 /nfs/dbraw/zinc/45/44/51/573454451.db2.gz DRBUANBWYBUXDV-WCBMZHEXSA-N 1 0 171.259 2.124 10 0 AEAERO CC1(C)[NH2+]C[C@H]2CCCC[C@@H]21 107266217 573454916 /nfs/dbraw/zinc/45/49/16/573454916.db2.gz MYKNLBUYICZVGX-BDAKNGLRSA-N 1 0 153.269 2.175 10 0 AEAERO CC[C@@H](CO)[NH2+][C@@H](C)c1occc1C 308590866 573454946 /nfs/dbraw/zinc/45/49/46/573454946.db2.gz KGVGGJFQTMSDNR-UWVGGRQHSA-N 1 0 197.278 2.010 10 0 AEAERO C[C@H]1c2cccc(F)c2CC[C@@H]1[NH3+] 258354552 573455017 /nfs/dbraw/zinc/45/50/17/573455017.db2.gz WDFBQBMGSRFYDZ-CPCISQLKSA-N 1 0 179.238 2.203 10 0 AEAERO CC(C)[C@@](C)(F)C[C@@H]1CC[NH2+]C1 257813945 573455384 /nfs/dbraw/zinc/45/53/84/573455384.db2.gz CFSUOMUBZAKCCK-UWVGGRQHSA-N 1 0 173.275 2.370 10 0 AEAERO CC(C)[C@H](Cc1ccoc1)[C@@H](C)[NH3+] 130172006 573455418 /nfs/dbraw/zinc/45/54/18/573455418.db2.gz UMKHQNCCZIFEDO-KOLCDFICSA-N 1 0 181.279 2.442 10 0 AEAERO CC[C@](C)(C[NH2+]CC=C(C)C)[C@H](C)O 308591475 573455420 /nfs/dbraw/zinc/45/54/20/573455420.db2.gz KNLQSORPPHTLLK-NWDGAFQWSA-N 1 0 199.338 2.339 10 0 AEAERO Clc1ccccc1N[C@@H]1CCC[NH2+]1 257814186 573455423 /nfs/dbraw/zinc/45/54/23/573455423.db2.gz CJUHBDSGKZWNMK-SNVBAGLBSA-N 1 0 196.681 2.461 10 0 AEAERO CCCc1cc([C@H](C)[NH3+])nn1C(C)C 257817715 573455596 /nfs/dbraw/zinc/45/55/96/573455596.db2.gz DXMYJJLZDZGUCS-VIFPVBQESA-N 1 0 195.310 2.436 10 0 AEAERO [NH3+]C[C@@]1(CF)CCCc2ccccc21 107264589 573455597 /nfs/dbraw/zinc/45/55/97/573455597.db2.gz GSDAXRCPOZNLJP-LBPRGKRZSA-N 1 0 193.265 2.189 10 0 AEAERO CC1(C)C[C@H](c2cccc(O)c2)C[NH2+]1 258365874 573455644 /nfs/dbraw/zinc/45/56/44/573455644.db2.gz ZRATXAMEMPHSET-JTQLQIEISA-N 1 0 191.274 2.248 10 0 AEAERO C[C@H]([NH3+])[C@H]1CC[C@@H](C)[C@@H](C)C1 221183833 573455694 /nfs/dbraw/zinc/45/56/94/573455694.db2.gz CPGVQIMNXURULX-KATARQTJSA-N 1 0 155.285 2.406 10 0 AEAERO CC(C)[C@@H](Cc1ccoc1)[C@@H](C)[NH3+] 130171778 573455854 /nfs/dbraw/zinc/45/58/54/573455854.db2.gz UMKHQNCCZIFEDO-MWLCHTKSSA-N 1 0 181.279 2.442 10 0 AEAERO Cc1ccc([C@H]2[NH2+]CCCO2)s1 258360863 573455829 /nfs/dbraw/zinc/45/58/29/573455829.db2.gz GFAYRYWETSRJNB-VIFPVBQESA-N 1 0 183.276 2.065 10 0 AEAERO Cc1ccc(C(C)(C)C)cc1C(N)[NH3+] 259455107 573455843 /nfs/dbraw/zinc/45/58/43/573455843.db2.gz QRBKNUSCRWMQMB-UHFFFAOYSA-N 1 0 192.306 2.209 10 0 AEAERO CCCCC[N@@H+]1CCC[C@@H](N)C1(C)C 259455421 573455865 /nfs/dbraw/zinc/45/58/65/573455865.db2.gz PSIBCOCXEHLIEZ-LLVKDONJSA-N 1 0 198.354 2.378 10 0 AEAERO C[C@H](CC[C@H]1CC1(F)F)C1C[NH2+]C1 686254099 573455990 /nfs/dbraw/zinc/45/59/90/573455990.db2.gz UJLAXDHAWAOWPS-APPZFPTMSA-N 1 0 189.249 2.277 10 0 AEAERO Cc1ccc([C@@H]2[NH2+]CCCO2)s1 258360860 573456049 /nfs/dbraw/zinc/45/60/49/573456049.db2.gz GFAYRYWETSRJNB-SECBINFHSA-N 1 0 183.276 2.065 10 0 AEAERO [NH3+]Cc1cccc2c1CCC[C@H]2F 107267220 573456781 /nfs/dbraw/zinc/45/67/81/573456781.db2.gz IJJJQNNNUBAOHD-LLVKDONJSA-N 1 0 179.238 2.492 10 0 AEAERO C[C@@H](F)C[NH2+]Cc1ccccc1 107264868 573456153 /nfs/dbraw/zinc/45/61/53/573456153.db2.gz SNGNOMDYULXUPW-SECBINFHSA-N 1 0 167.227 2.134 10 0 AEAERO NC(=[NH2+])c1ccc2c(c1)[C@@H](F)CCC2 107267172 573456163 /nfs/dbraw/zinc/45/61/63/573456163.db2.gz IZLUQKWSFBLRGL-JTQLQIEISA-N 1 0 192.237 2.318 10 0 AEAERO COCCCC[C@@H]([NH3+])c1ccoc1C 308591418 573456180 /nfs/dbraw/zinc/45/61/80/573456180.db2.gz PAXPZGFOXGMIKL-LLVKDONJSA-N 1 0 197.278 2.405 10 0 AEAERO CCn1cc2c(c1)[C@H]([NH2+]C)CCCC2 124406417 573456194 /nfs/dbraw/zinc/45/61/94/573456194.db2.gz AVYKMFVNYONXNB-GFCCVEGCSA-N 1 0 192.306 2.495 10 0 AEAERO CC[C@@H](F)C[NH2+][C@@H](C)c1ccccn1 308590856 573456197 /nfs/dbraw/zinc/45/61/97/573456197.db2.gz KGMPGMRDLAJDEC-VHSXEESVSA-N 1 0 196.269 2.480 10 0 AEAERO NC(=[NH2+])c1cccc2c1CCC[C@@H]2F 107267213 573456214 /nfs/dbraw/zinc/45/62/14/573456214.db2.gz YXSSFEJNBNCNBO-JTQLQIEISA-N 1 0 192.237 2.318 10 0 AEAERO Cc1c[nH+]c(NC2CC2)n1C(C)C 258354604 573456221 /nfs/dbraw/zinc/45/62/21/573456221.db2.gz YSLATUXXCDQQDN-UHFFFAOYSA-N 1 0 179.267 2.347 10 0 AEAERO C[C@@H](F)[C@H](CC1([NH3+])CC1)C1CC1 257817840 573456788 /nfs/dbraw/zinc/45/67/88/573456788.db2.gz DUEGLOJALYIJAQ-APPZFPTMSA-N 1 0 171.259 2.252 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CC[C@H](C)C/C=C/CC[NH3+] 86570930 573491584 /nfs/dbraw/zinc/49/15/84/573491584.db2.gz RCDWIJDHVSORAL-MOVJSRMASA-N 1 0 141.258 2.328 10 0 AEAERO C[NH2+][C@@H](CC(C)C)C1CCC(O)CC1 259107025 573491651 /nfs/dbraw/zinc/49/16/51/573491651.db2.gz AQIAMCUVLDIUND-MCIGGMRASA-N 1 0 199.338 2.172 10 0 AEAERO C[C@H]1CC(C)(C)C[C@]1(O)C(C)(C)C[NH3+] 235608397 573491686 /nfs/dbraw/zinc/49/16/86/573491686.db2.gz ORHISLFMGCANAK-JOYOIKCWSA-N 1 0 199.338 2.159 10 0 AEAERO COc1ccc2c[nH+]c(C3CC3)n2c1 258043980 573492249 /nfs/dbraw/zinc/49/22/49/573492249.db2.gz SPYPZTKFXRVVDF-UHFFFAOYSA-N 1 0 188.230 2.220 10 0 AEAERO CCCc1nc(C)c(C[C@@H](C)[NH3+])s1 259474019 573491785 /nfs/dbraw/zinc/49/17/85/573491785.db2.gz SJRLGGWPKJIMML-SSDOTTSWSA-N 1 0 198.335 2.294 10 0 AEAERO C[NH+](C)Cc1coc2cccc(O)c12 258499239 573491791 /nfs/dbraw/zinc/49/17/91/573491791.db2.gz FXGOLPWDSCTAHY-UHFFFAOYSA-N 1 0 191.230 2.200 10 0 AEAERO COC1(c2cccc([C@@H](C)[NH3+])c2)CC1 259473267 573491805 /nfs/dbraw/zinc/49/18/05/573491805.db2.gz OIEJWLZTSMIGLP-SECBINFHSA-N 1 0 191.274 2.342 10 0 AEAERO CCc1ccc(NCCC[NH2+]C)cc1 258684887 573491835 /nfs/dbraw/zinc/49/18/35/573491835.db2.gz IQVAPBZJKHBHAR-UHFFFAOYSA-N 1 0 192.306 2.270 10 0 AEAERO [NH3+]C[C@@H](COc1ccccc1)C1CC1 258040248 573491872 /nfs/dbraw/zinc/49/18/72/573491872.db2.gz BCHHBGCIRSHUPL-NSHDSACASA-N 1 0 191.274 2.050 10 0 AEAERO CC[C@H](O)CCC[NH2+][C@@H](C)CC1CC1 130213735 573491876 /nfs/dbraw/zinc/49/18/76/573491876.db2.gz JKAUOSKVCIDKEY-JQWIXIFHSA-N 1 0 199.338 2.316 10 0 AEAERO CCC[C@@H]([NH2+]C[C@@H]1CCCO1)C1CC1 126387909 573491916 /nfs/dbraw/zinc/49/19/16/573491916.db2.gz OIUMBRUXQDJSSK-NWDGAFQWSA-N 1 0 197.322 2.334 10 0 AEAERO [NH3+]CC/C=C/CC1CCC1 86570897 573491924 /nfs/dbraw/zinc/49/19/24/573491924.db2.gz LYOASQTYDWWQEO-OWOJBTEDSA-N 1 0 139.242 2.082 10 0 AEAERO C/C=C\CCNc1ncccc1OC 308394425 573491949 /nfs/dbraw/zinc/49/19/49/573491949.db2.gz URYYUDTUZWFLKW-ARJAWSKDSA-N 1 0 192.262 2.468 10 0 AEAERO C/C=C/[C@H](CCCCO)[NH+](CC)CC 238256112 573491962 /nfs/dbraw/zinc/49/19/62/573491962.db2.gz VIQATLJDGLBOMY-OXFRDRNISA-N 1 0 199.338 2.436 10 0 AEAERO Cc1cccc2nc(C[C@@H](C)[NH3+])oc12 86556857 573491976 /nfs/dbraw/zinc/49/19/76/573491976.db2.gz UAHDAYKDAZIFTN-MRVPVSSYSA-N 1 0 190.246 2.026 10 0 AEAERO CC[NH2+]Cc1nc2cccc(C)c2o1 86556369 573491983 /nfs/dbraw/zinc/49/19/83/573491983.db2.gz OYZDNQGUVHKUGT-UHFFFAOYSA-N 1 0 190.246 2.246 10 0 AEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN(C)C)C1 130228599 573492108 /nfs/dbraw/zinc/49/21/08/573492108.db2.gz KLBJPTZXJRHDGD-TUAOUCFPSA-N 1 0 198.354 2.105 10 0 AEAERO Cc1ccc(F)cc1/C=C/CC[NH3+] 86570999 573492276 /nfs/dbraw/zinc/49/22/76/573492276.db2.gz HGEFNMZCELOEID-DUXPYHPUSA-N 1 0 179.238 2.496 10 0 AEAERO COc1c(F)ccc2c1CCC[C@@H]2[NH3+] 238408599 573492163 /nfs/dbraw/zinc/49/21/63/573492163.db2.gz YWRMSSNCJFCUOD-JTQLQIEISA-N 1 0 195.237 2.170 10 0 AEAERO CC(C)(C)C[C@H](CO)C[NH+]1CCCC1 258040539 573492165 /nfs/dbraw/zinc/49/21/65/573492165.db2.gz HBNSGMFHEKFSJZ-NSHDSACASA-N 1 0 199.338 2.127 10 0 AEAERO Cc1ccc(C)c(CC2([NH3+])CC2)c1O 258042423 573492542 /nfs/dbraw/zinc/49/25/42/573492542.db2.gz JVXFBKLIOLRCFE-UHFFFAOYSA-N 1 0 191.274 2.043 10 0 AEAERO [NH3+]CNc1cc(Cl)cc(Cl)c1 258689301 573492619 /nfs/dbraw/zinc/49/26/19/573492619.db2.gz QFPGIFRMIPNMBA-UHFFFAOYSA-N 1 0 191.061 2.322 10 0 AEAERO CO[C@@H](C)[C@@H]([NH3+])c1cccc(Cl)c1 86575886 573492923 /nfs/dbraw/zinc/49/29/23/573492923.db2.gz ZIZZJSHEIJZKJK-OIBJUYFYSA-N 1 0 199.681 2.375 10 0 AEAERO CO[C@H](C)[C@H]([NH3+])c1ccccc1Cl 86575818 573492655 /nfs/dbraw/zinc/49/26/55/573492655.db2.gz IKCOBDWLRNPRFM-XCBNKYQSSA-N 1 0 199.681 2.375 10 0 AEAERO C[NH2+]C[C@]1(CC(C)C)CCCCN1C 258695918 573492690 /nfs/dbraw/zinc/49/26/90/573492690.db2.gz MZRPHLHIINPFAR-GFCCVEGCSA-N 1 0 198.354 2.106 10 0 AEAERO C[NH2+][C@@H]1CCC[C@H](C)CC1 83426987 573492731 /nfs/dbraw/zinc/49/27/31/573492731.db2.gz RWFAEDPBROJRNB-DTWKUNHWSA-N 1 0 141.258 2.175 10 0 AEAERO C1CCC(C[NH2+][C@@H]2CCCOCC2)C1 83425018 573492807 /nfs/dbraw/zinc/49/28/07/573492807.db2.gz BELSMJQEKMCMBN-GFCCVEGCSA-N 1 0 197.322 2.335 10 0 AEAERO CCCC[C@]1([NH3+])CCCOCC1 83425069 573492851 /nfs/dbraw/zinc/49/28/51/573492851.db2.gz HFWQOIGSHMKRTQ-JTQLQIEISA-N 1 0 171.284 2.075 10 0 AEAERO CO[C@@H](C)[C@H]([NH3+])c1ccccc1C 86575716 573492877 /nfs/dbraw/zinc/49/28/77/573492877.db2.gz DJBAGGGTENJXGG-ONGXEEELSA-N 1 0 179.263 2.030 10 0 AEAERO C[NH2+]CC(C)(C)N(C)c1cccs1 258687741 573492883 /nfs/dbraw/zinc/49/28/83/573492883.db2.gz BGXNJXZMXHPUPR-UHFFFAOYSA-N 1 0 198.335 2.182 10 0 AEAERO CO[C@@H](C)[C@@H]([NH3+])c1cc(C)ccc1F 86575957 573493188 /nfs/dbraw/zinc/49/31/88/573493188.db2.gz HBAYDLLYZQIHLD-GZMMTYOYSA-N 1 0 197.253 2.169 10 0 AEAERO CC(=O)CCC[N@H+]1C[C@H]2CCC[C@H]2C1 126384590 573493234 /nfs/dbraw/zinc/49/32/34/573493234.db2.gz CKKDGPVLGNNQAW-TXEJJXNPSA-N 1 0 195.306 2.088 10 0 AEAERO COc1c(F)ccc2c1CCC[C@H]2[NH3+] 238408638 573493260 /nfs/dbraw/zinc/49/32/60/573493260.db2.gz YWRMSSNCJFCUOD-SNVBAGLBSA-N 1 0 195.237 2.170 10 0 AEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)C1 258044072 573493275 /nfs/dbraw/zinc/49/32/75/573493275.db2.gz CUMNGLZUNTVCTC-QMMMGPOBSA-N 1 0 141.258 2.031 10 0 AEAERO Cc1c(O)cccc1C1([NH3+])CCCC1 258042540 573493283 /nfs/dbraw/zinc/49/32/83/573493283.db2.gz JZGQFJJLCFOFLN-UHFFFAOYSA-N 1 0 191.274 2.429 10 0 AEAERO CO[C@H](C)[C@@H]([NH3+])c1ccccc1C 86575713 573493424 /nfs/dbraw/zinc/49/34/24/573493424.db2.gz DJBAGGGTENJXGG-MWLCHTKSSA-N 1 0 179.263 2.030 10 0 AEAERO CC(C)CC[N@@H+]1C[C@@H](O)CCC1(C)C 258695889 573493434 /nfs/dbraw/zinc/49/34/34/573493434.db2.gz GWSFGBXDRHLNNK-NSHDSACASA-N 1 0 199.338 2.268 10 0 AEAERO Cc1ccccc1[C@H]1C[NH2+][C@@H]1C 258690119 573495000 /nfs/dbraw/zinc/49/50/00/573495000.db2.gz VKHJHQOFCYMIOB-KOLCDFICSA-N 1 0 161.248 2.070 10 0 AEAERO CC1(C)C[NH2+]CC(C)(C)C1(F)F 257822068 573502284 /nfs/dbraw/zinc/50/22/84/573502284.db2.gz GBSQFANYMZMHRZ-UHFFFAOYSA-N 1 0 177.238 2.277 10 0 AEAERO CC(C)[NH2+]C[C@@H]1C[C@]12CCCOCC2 83426791 573495072 /nfs/dbraw/zinc/49/50/72/573495072.db2.gz WYQCZRXOGMHLCD-NWDGAFQWSA-N 1 0 197.322 2.191 10 0 AEAERO C[NH2+]C/C=C\C[C@H]1CCCCS1 258040412 573494767 /nfs/dbraw/zinc/49/47/67/573494767.db2.gz CNKJKSLVLPHTMD-GQPNGRKGSA-N 1 0 185.336 2.438 10 0 AEAERO CO[C@H](C)[C@@H]([NH3+])c1cc(C)ccc1F 86575953 573494805 /nfs/dbraw/zinc/49/48/05/573494805.db2.gz HBAYDLLYZQIHLD-LDYMZIIASA-N 1 0 197.253 2.169 10 0 AEAERO CCCc1[nH+]cc2ccc(OC)cn12 258041211 573494856 /nfs/dbraw/zinc/49/48/56/573494856.db2.gz SJDQCOLBPUMRFB-UHFFFAOYSA-N 1 0 190.246 2.295 10 0 AEAERO CO[C@H](C)[C@@H]([NH3+])c1csc(C)c1 86575773 573494860 /nfs/dbraw/zinc/49/48/60/573494860.db2.gz DAUTWWMKGZWTCQ-VXNVDRBHSA-N 1 0 185.292 2.091 10 0 AEAERO C[NH2+][C@@H]1CCC[C@@H](C)CC1 83426986 573494861 /nfs/dbraw/zinc/49/48/61/573494861.db2.gz RWFAEDPBROJRNB-RKDXNWHRSA-N 1 0 141.258 2.175 10 0 AEAERO CO[C@H](C)[C@@H]([NH3+])c1ccc(F)cc1C 86575944 573494903 /nfs/dbraw/zinc/49/49/03/573494903.db2.gz ZIWOSEHCFZLFQG-LDYMZIIASA-N 1 0 197.253 2.169 10 0 AEAERO [NH3+][C@]1(C2CCCCC2)CCCOCC1 83424819 573494917 /nfs/dbraw/zinc/49/49/17/573494917.db2.gz NWBYWAXIDHPYCF-GFCCVEGCSA-N 1 0 197.322 2.465 10 0 AEAERO CC(C)[NH2+]C[C@H]1C[C@]12CCCOCC2 83426792 573494925 /nfs/dbraw/zinc/49/49/25/573494925.db2.gz WYQCZRXOGMHLCD-VXGBXAGGSA-N 1 0 197.322 2.191 10 0 AEAERO CC1(c2cnc(CC[NH3+])s2)CCC1 258042353 573494939 /nfs/dbraw/zinc/49/49/39/573494939.db2.gz JKAYSEWTFXPGAP-UHFFFAOYSA-N 1 0 196.319 2.086 10 0 AEAERO CC(C)[NH2+]C[C@@H]1C[C@@]12CCCOCC2 83426789 573494956 /nfs/dbraw/zinc/49/49/56/573494956.db2.gz WYQCZRXOGMHLCD-RYUDHWBXSA-N 1 0 197.322 2.191 10 0 AEAERO CO[C@@H](C)[C@H]([NH3+])c1ccc(F)cc1C 86575951 573495006 /nfs/dbraw/zinc/49/50/06/573495006.db2.gz ZIWOSEHCFZLFQG-KWQFWETISA-N 1 0 197.253 2.169 10 0 AEAERO [NH3+]CCCc1c(F)ccc2occc12 258042411 573495013 /nfs/dbraw/zinc/49/50/13/573495013.db2.gz JVHJYQZGEFWHMW-UHFFFAOYSA-N 1 0 193.221 2.463 10 0 AEAERO [NH3+][C@@H]1COCC[C@@H]1C1CCCCCC1 214911220 573495054 /nfs/dbraw/zinc/49/50/54/573495054.db2.gz DPCWHLSMOCJNQG-VXGBXAGGSA-N 1 0 197.322 2.321 10 0 AEAERO CC(=O)CCC[NH+]1C[C@@H]2CCC[C@H]2C1 126384988 573495066 /nfs/dbraw/zinc/49/50/66/573495066.db2.gz CKKDGPVLGNNQAW-RYUDHWBXSA-N 1 0 195.306 2.088 10 0 AEAERO CO[C@@H](C)[C@H]([NH3+])c1cc(C)ccc1F 86575959 573495299 /nfs/dbraw/zinc/49/52/99/573495299.db2.gz HBAYDLLYZQIHLD-KWQFWETISA-N 1 0 197.253 2.169 10 0 AEAERO [NH3+][C@@H]1COCC[C@H]1C1CCCCCC1 214911175 573496874 /nfs/dbraw/zinc/49/68/74/573496874.db2.gz DPCWHLSMOCJNQG-NWDGAFQWSA-N 1 0 197.322 2.321 10 0 AEAERO CC(C)(C)C(C)(C)C[NH2+]CCCO 259107806 573496881 /nfs/dbraw/zinc/49/68/81/573496881.db2.gz UXGYIOCHTPBBML-UHFFFAOYSA-N 1 0 187.327 2.031 10 0 AEAERO CO[C@@H](C)[C@@H]([NH3+])c1cc(C)cc(C)c1 86575755 573496200 /nfs/dbraw/zinc/49/62/00/573496200.db2.gz WYSPISPNPJMGBV-CMPLNLGQSA-N 1 0 193.290 2.338 10 0 AEAERO CC(C)[C@H](C)[C@@H](CN)[N@@H+]1CCC[C@@H]1C 393666390 573496238 /nfs/dbraw/zinc/49/62/38/573496238.db2.gz KFXRPEPVIJMAGW-SDDRHHMPSA-N 1 0 198.354 2.090 10 0 AEAERO [NH3+][C@]1(c2cccs2)CCCOCC1 83425006 573496273 /nfs/dbraw/zinc/49/62/73/573496273.db2.gz UKHUTEPIAJHVOL-SNVBAGLBSA-N 1 0 197.303 2.103 10 0 AEAERO C[C@H](O)C(C)(C)[NH2+][C@H]1CCC[C@@H](C)C1 224938680 573496293 /nfs/dbraw/zinc/49/62/93/573496293.db2.gz UUYYISLOGMGGNW-VWYCJHECSA-N 1 0 199.338 2.314 10 0 AEAERO C[C@H]1CCC[C@@H](C[NH3+])CC1 83427423 573496361 /nfs/dbraw/zinc/49/63/61/573496361.db2.gz IHSVXVGXOSYWRY-DTWKUNHWSA-N 1 0 141.258 2.162 10 0 AEAERO [NH3+]C[C@H]1CCOC[C@@H]1C1CCCCC1 214911334 573496367 /nfs/dbraw/zinc/49/63/67/573496367.db2.gz WSAMZERIUTWVOC-VXGBXAGGSA-N 1 0 197.322 2.178 10 0 AEAERO Cc1c[nH]c2cccc(C[C@@H](C)[NH3+])c12 258044309 573496368 /nfs/dbraw/zinc/49/63/68/573496368.db2.gz KVOWWQRNQPYNSE-SECBINFHSA-N 1 0 188.274 2.366 10 0 AEAERO C[C@@H]1O[C@H](C(C)(C)C)[NH2+]C1(C)C 238420514 573496444 /nfs/dbraw/zinc/49/64/44/573496444.db2.gz RALFVYPPNQHZFC-JGVFFNPUSA-N 1 0 171.284 2.146 10 0 AEAERO CC(C)(C)C[C@@H](CO)C[NH+]1CCCC1 258040534 573496459 /nfs/dbraw/zinc/49/64/59/573496459.db2.gz HBNSGMFHEKFSJZ-LLVKDONJSA-N 1 0 199.338 2.127 10 0 AEAERO CO[C@@H](C)[C@H]([NH3+])c1cc(C)cc(C)c1 86575756 573496509 /nfs/dbraw/zinc/49/65/09/573496509.db2.gz WYSPISPNPJMGBV-JQWIXIFHSA-N 1 0 193.290 2.338 10 0 AEAERO Cc1c(F)cc(C(C)(C)[NH3+])cc1F 258042470 573496522 /nfs/dbraw/zinc/49/65/22/573496522.db2.gz JXLOIKOLOOGOKS-UHFFFAOYSA-N 1 0 185.217 2.467 10 0 AEAERO CO[C@H](C)[C@H]([NH3+])c1ccccc1C 86575714 573496559 /nfs/dbraw/zinc/49/65/59/573496559.db2.gz DJBAGGGTENJXGG-KOLCDFICSA-N 1 0 179.263 2.030 10 0 AEAERO CO[C@H](C)[C@H]([NH3+])c1cc(C)ccc1F 86575955 573496573 /nfs/dbraw/zinc/49/65/73/573496573.db2.gz HBAYDLLYZQIHLD-KCJUWKMLSA-N 1 0 197.253 2.169 10 0 AEAERO CCCn1ccc(C[N@H+](C)CC)c1 308395776 573496584 /nfs/dbraw/zinc/49/65/84/573496584.db2.gz DBCIKYBXAZJQJQ-UHFFFAOYSA-N 1 0 180.295 2.350 10 0 AEAERO CN(c1cc[nH+]cc1)c1ccccc1N 258698675 573498183 /nfs/dbraw/zinc/49/81/83/573498183.db2.gz DPMWAZNHFWNLCR-UHFFFAOYSA-N 1 0 199.257 2.432 10 0 AEAERO [NH3+]CNc1ccc(Cl)cc1Cl 258689284 573496595 /nfs/dbraw/zinc/49/65/95/573496595.db2.gz QEZCGJJGNHTXKU-UHFFFAOYSA-N 1 0 191.061 2.322 10 0 AEAERO [NH3+][C@]1(c2ccccc2)CCCOCC1 83424975 573496627 /nfs/dbraw/zinc/49/66/27/573496627.db2.gz WDTXTQIZUHCEFJ-GFCCVEGCSA-N 1 0 191.274 2.041 10 0 AEAERO CCCC1CC[NH+](CCC(C)=O)CC1 50894205 573496629 /nfs/dbraw/zinc/49/66/29/573496629.db2.gz JVTCRUCXCROKGS-UHFFFAOYSA-N 1 0 197.322 2.478 10 0 AEAERO CO[C@H](C)[C@H]([NH3+])c1cc(C)cc(C)c1 86575754 573496633 /nfs/dbraw/zinc/49/66/33/573496633.db2.gz WYSPISPNPJMGBV-PWSUYJOCSA-N 1 0 193.290 2.338 10 0 AEAERO CC[C@H](C)C[C@@]1([NH3+])CCCOCC1 83424958 573496643 /nfs/dbraw/zinc/49/66/43/573496643.db2.gz JILJKFUWVCJPIU-WDEREUQCSA-N 1 0 185.311 2.321 10 0 AEAERO C[C@H]1C[NH2+][C@@H](c2cccc(F)c2)OC1 258499283 573496646 /nfs/dbraw/zinc/49/66/46/573496646.db2.gz LXEWTYRIGPPUKO-GZMMTYOYSA-N 1 0 195.237 2.080 10 0 AEAERO C/C=C\CC[NH2+][C@H](CN)C(CC)CC 308393637 573496650 /nfs/dbraw/zinc/49/66/50/573496650.db2.gz SJHBDVROEZUUSJ-DJFZKKHWSA-N 1 0 198.354 2.306 10 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C[NH2+][C@H]1CCC[C@@H](OC(C)(C)C)C1 86602813 573511514 /nfs/dbraw/zinc/51/15/14/573511514.db2.gz SQDZSSPOANYBSX-VHSXEESVSA-N 1 0 185.311 2.332 10 0 AEAERO CC(C)C[C@@H]1C[C@@]12CC[NH2+]C2 259482244 573511942 /nfs/dbraw/zinc/51/19/42/573511942.db2.gz XKFLLPKYJJEWRZ-NXEZZACHSA-N 1 0 153.269 2.032 10 0 AEAERO CC[N@H+](C(C)C)[C@@H]1CCC[C@H](O)C1 86601858 573511573 /nfs/dbraw/zinc/51/15/73/573511573.db2.gz WFQBKAKHJCABGH-MNOVXSKESA-N 1 0 185.311 2.020 10 0 AEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C1(CO)CC1 126338152 573511609 /nfs/dbraw/zinc/51/16/09/573511609.db2.gz YIKPLKDRJBNWFM-MNOVXSKESA-N 1 0 197.322 2.070 10 0 AEAERO C[C@@H]1C[NH2+][C@H]([C@]2(C)C[C@H]2C)SC1 714707230 573511611 /nfs/dbraw/zinc/51/16/11/573511611.db2.gz IRARXNXDBYEMIU-DOLQZWNJSA-N 1 0 185.336 2.331 10 0 AEAERO CC[C@@H](C[NH3+])C1(CC(C)C)COC1 258729564 573511744 /nfs/dbraw/zinc/51/17/44/573511744.db2.gz PJBAVKVSLJDZIU-JTQLQIEISA-N 1 0 185.311 2.034 10 0 AEAERO CC(C)[C@H]1CC[C@@H](C(F)F)C[NH2+]1 257823984 573511752 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CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1[NH3+] 130416200 573534007 /nfs/dbraw/zinc/53/40/07/573534007.db2.gz IHDXEBQKOFHDLC-NEPJUHHUSA-N 1 0 198.354 2.140 10 0 AEAERO CCO[C@@](C)(CC[NH3+])CC(F)(F)F 257828762 573534020 /nfs/dbraw/zinc/53/40/20/573534020.db2.gz GPDYXQJPGCYZIM-ZETCQYMHSA-N 1 0 199.216 2.083 10 0 AEAERO COc1ccccc1[C@H](F)C[C@H](C)[NH3+] 257828098 573534065 /nfs/dbraw/zinc/53/40/65/573534065.db2.gz IGSDRWHLDDTHIU-WCBMZHEXSA-N 1 0 197.253 2.443 10 0 AEAERO [NH3+]CC1(c2cncc(Cl)c2)CCC1 259494226 573534203 /nfs/dbraw/zinc/53/42/03/573534203.db2.gz YETSMGLYWRLPSB-UHFFFAOYSA-N 1 0 196.681 2.115 10 0 AEAERO CC1CC([NH3+])(C(C)(C)C)C1 259494327 573534249 /nfs/dbraw/zinc/53/42/49/573534249.db2.gz YGQIGRHARGINDQ-UHFFFAOYSA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@@H](C)SC(C)(C)C[NH3+] 83498169 573534261 /nfs/dbraw/zinc/53/42/61/573534261.db2.gz ZBKUEUNQCDXEJC-SSDOTTSWSA-N 1 0 161.314 2.255 10 0 AEAERO C[C@]1(c2cccc(Cl)c2)[NH2+]CCO1 258755580 573534342 /nfs/dbraw/zinc/53/43/42/573534342.db2.gz 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COC[C@@H]1CC[NH2+][C@@H](C2CCCC2)C1 257828085 573534444 /nfs/dbraw/zinc/53/44/44/573534444.db2.gz IGHQOVGHFMCLEM-ZYHUDNBSSA-N 1 0 197.322 2.191 10 0 AEAERO C[NH+](C)CC[C@@H](F)c1ccccc1O 107279537 573534463 /nfs/dbraw/zinc/53/44/63/573534463.db2.gz DVUXJXXCQNVOKV-SNVBAGLBSA-N 1 0 197.253 2.355 10 0 AEAERO CC(C)NC(=[NH2+])CSC(C)C 83489820 573534506 /nfs/dbraw/zinc/53/45/06/573534506.db2.gz GGDZWFZHGBXQRX-UHFFFAOYSA-N 1 0 174.313 2.103 10 0 AEAERO CN(C)C(=[NH2+])CSC(C)(C)C 83491114 573534531 /nfs/dbraw/zinc/53/45/31/573534531.db2.gz QONKFZPMCYYSBG-UHFFFAOYSA-N 1 0 174.313 2.057 10 0 AEAERO CCCCC[C@H]([NH2+]C)[C@@H]1C[C@@H]1OC 689965526 573534570 /nfs/dbraw/zinc/53/45/70/573534570.db2.gz YMCJYHAVVCUBAH-DCAQKATOSA-N 1 0 185.311 2.190 10 0 AEAERO CC(C)CSC(C)(C)C[NH3+] 83491263 573534575 /nfs/dbraw/zinc/53/45/75/573534575.db2.gz PIKPMMVVGIQHKU-UHFFFAOYSA-N 1 0 161.314 2.113 10 0 AEAERO CC(C)[C@H]1CC[NH2+]C[C@@H]1C(F)F 257828660 573534592 /nfs/dbraw/zinc/53/45/92/573534592.db2.gz INUPOUXQDHSEBF-SFYZADRCSA-N 1 0 177.238 2.133 10 0 AEAERO CCCC[C@@H](CC)C[NH2+]C1(CO)CC1 126412303 573534643 /nfs/dbraw/zinc/53/46/43/573534643.db2.gz JKYIXGRAPFBXBG-LLVKDONJSA-N 1 0 199.338 2.317 10 0 AEAERO CC(C)(C[NH3+])SC1CCCC1 83500362 573535312 /nfs/dbraw/zinc/53/53/12/573535312.db2.gz YTPAZTFYJQOKMU-UHFFFAOYSA-N 1 0 173.325 2.400 10 0 AEAERO CCC[C@H]1CCCC[N@@H+]1[C@@H](CC)CN 213018205 573534708 /nfs/dbraw/zinc/53/47/08/573534708.db2.gz VPOHQFOQLOLWFW-RYUDHWBXSA-N 1 0 198.354 2.378 10 0 AEAERO CSc1ccc(F)cc1CCC[NH3+] 258055549 573534758 /nfs/dbraw/zinc/53/47/58/573534758.db2.gz HCEICVPMXFQOIB-UHFFFAOYSA-N 1 0 199.294 2.439 10 0 AEAERO Fc1ccc2c(c1)C[C@@H]1CC[NH2+][C@@H]21 107336366 573534781 /nfs/dbraw/zinc/53/47/81/573534781.db2.gz JEFXBIWWYVINTL-WRWORJQWSA-N 1 0 177.222 2.032 10 0 AEAERO CCC(CC)C[NH2+]C[C@@](C)([NH3+])CC 130412853 573534806 /nfs/dbraw/zinc/53/48/06/573534806.db2.gz YUWSXIZHTQIKRU-NSHDSACASA-N 1 0 186.343 2.140 10 0 AEAERO COc1ccc([C@@H](F)[C@@H](C)C[NH3+])cc1 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/nfs/dbraw/zinc/54/86/70/573548670.db2.gz BTWDYBHQWFYDES-LBPRGKRZSA-N 1 0 173.259 2.500 10 0 AEAERO [NH3+][C@@H]1C[C@]1(c1ccccc1)C1CCC1 257826312 573548682 /nfs/dbraw/zinc/54/86/82/573548682.db2.gz HOHRAPVAYYRFDE-OLZOCXBDSA-N 1 0 187.286 2.456 10 0 AEAERO [NH3+][C@H](C(F)F)[C@H]1C[C@@H]1c1ccccc1 236310394 573548695 /nfs/dbraw/zinc/54/86/95/573548695.db2.gz KGJTXSRFOBKORA-UTLUCORTSA-N 1 0 197.228 2.383 10 0 AEAERO CCOc1ccccc1[C@@H](F)C[NH2+]C 257826127 573548698 /nfs/dbraw/zinc/54/86/98/573548698.db2.gz HBQLEBSODCRMLR-JTQLQIEISA-N 1 0 197.253 2.315 10 0 AEAERO C[NH2+]C[C@@H](Cc1ccncc1)C(C)C 259502122 573548706 /nfs/dbraw/zinc/54/87/06/573548706.db2.gz UMHZNISHVIUVIX-GFCCVEGCSA-N 1 0 192.306 2.116 10 0 AEAERO C[C@H]1C[C@@H](C[NH3+])c2cccc(F)c2N1 107359635 573548714 /nfs/dbraw/zinc/54/87/14/573548714.db2.gz OACVKAYGPHRMTB-YUMQZZPRSA-N 1 0 194.253 2.072 10 0 AEAERO [NH3+][C@H]1C=C(c2cccs2)CC1 83548148 573548720 /nfs/dbraw/zinc/54/87/20/573548720.db2.gz SHKMAXTTXMCWFC-MRVPVSSYSA-N 1 0 165.261 2.253 10 0 AEAERO [NH3+][C@@H]1C=C(c2cccc(F)c2F)CC1 83548072 573548734 /nfs/dbraw/zinc/54/87/34/573548734.db2.gz MKUWCYKIRQYVGM-QMMMGPOBSA-N 1 0 195.212 2.469 10 0 AEAERO [NH3+][C@@H]1C=C(c2cccs2)CC1 83548149 573548774 /nfs/dbraw/zinc/54/87/74/573548774.db2.gz SHKMAXTTXMCWFC-QMMMGPOBSA-N 1 0 165.261 2.253 10 0 AEAERO Cc1nc([C@H]2CC[NH2+]C2)oc1C(C)C 257826306 573548791 /nfs/dbraw/zinc/54/87/91/573548791.db2.gz HOFDRNWIGKAJSU-VIFPVBQESA-N 1 0 194.278 2.183 10 0 AEAERO CC(C)(C)C1=C[C@@H]([NH3+])CC1 83548060 573548803 /nfs/dbraw/zinc/54/88/03/573548803.db2.gz SEFZZCUMKOVZHQ-QMMMGPOBSA-N 1 0 139.242 2.080 10 0 AEAERO C[NH2+][C@H](C)C[C@@H](F)c1cccc(O)c1 257826193 573548854 /nfs/dbraw/zinc/54/88/54/573548854.db2.gz HKQQHCDHCSTYLE-LDYMZIIASA-N 1 0 197.253 2.401 10 0 AEAERO [NH3+][C@H]1C=C(c2ccccc2)CC1 83547999 573548864 /nfs/dbraw/zinc/54/88/64/573548864.db2.gz OYUUUHWLUWTZBT-LLVKDONJSA-N 1 0 159.232 2.191 10 0 AEAERO C[NH2+][C@@H](C)C[C@@H](F)c1cccc(O)c1 257826190 573548868 /nfs/dbraw/zinc/54/88/68/573548868.db2.gz HKQQHCDHCSTYLE-GZMMTYOYSA-N 1 0 197.253 2.401 10 0 AEAERO C[NH2+]C[C@H]1CCCc2nc(C)sc21 107364947 573548926 /nfs/dbraw/zinc/54/89/26/573548926.db2.gz GDGREFAMRJKVLP-MRVPVSSYSA-N 1 0 196.319 2.091 10 0 AEAERO COc1c(C)cc(F)cc1[C@H](C)C[NH3+] 107365698 573548954 /nfs/dbraw/zinc/54/89/54/573548954.db2.gz LYCKLOHGZKVAJX-MRVPVSSYSA-N 1 0 197.253 2.205 10 0 AEAERO C[C@H]([NH3+])C1=CCc2cccc(F)c21 257826025 573548957 /nfs/dbraw/zinc/54/89/57/573548957.db2.gz HJSPZHFIIGJPGU-ZETCQYMHSA-N 1 0 177.222 2.112 10 0 AEAERO Cc1cc([C@H]2CCC[NH2+]2)oc1C 95639133 573548991 /nfs/dbraw/zinc/54/89/91/573548991.db2.gz DHFRXZAPPJSGFA-SECBINFHSA-N 1 0 165.236 2.321 10 0 AEAERO CCC(F)(F)[C@H]1CCC[NH2+]CC1 257826023 573550606 /nfs/dbraw/zinc/55/06/06/573550606.db2.gz HJNDLRAUKGJPHB-QMMMGPOBSA-N 1 0 177.238 2.421 10 0 AEAERO C[NH2+][C@H](C)c1ncc(-c2ccco2)o1 83556208 573550631 /nfs/dbraw/zinc/55/06/31/573550631.db2.gz KZQGHLKUBQJUBN-SSDOTTSWSA-N 1 0 192.218 2.215 10 0 AEAERO C[C@H]([NH3+])c1[nH]c2ccccc2c1F 238437951 573551730 /nfs/dbraw/zinc/55/17/30/573551730.db2.gz DSYCGGLSQMNGSX-LURJTMIESA-N 1 0 178.210 2.327 10 0 AEAERO C[NH2+][C@H](C)Cc1cc(Cl)ccc1N 257826255 573551797 /nfs/dbraw/zinc/55/17/97/573551797.db2.gz FSXRWERGEUGXOW-SSDOTTSWSA-N 1 0 198.697 2.073 10 0 AEAERO CC[NH2+][C@@H](CC(C)C)C[C@@H]1CCOC1 130351959 573551754 /nfs/dbraw/zinc/55/17/54/573551754.db2.gz QKTNHDMKCOXPGG-RYUDHWBXSA-N 1 0 199.338 2.437 10 0 AEAERO C[C@@](F)(c1ccccc1)[C@H]1CC[NH2+]1 257825981 573550274 /nfs/dbraw/zinc/55/02/74/573550274.db2.gz HHOSJKVFGUTUGO-GHMZBOCLSA-N 1 0 179.238 2.233 10 0 AEAERO Cc1nc([C@@H]2CC[NH2+]C2)oc1C(C)C 257826304 573550303 /nfs/dbraw/zinc/55/03/03/573550303.db2.gz HOFDRNWIGKAJSU-SECBINFHSA-N 1 0 194.278 2.183 10 0 AEAERO C[NH2+]C[C@H](Cc1ccncc1)C(C)C 259502125 573550346 /nfs/dbraw/zinc/55/03/46/573550346.db2.gz UMHZNISHVIUVIX-LBPRGKRZSA-N 1 0 192.306 2.116 10 0 AEAERO CC(C)C[C@@H](O)C[C@@H]1CCC[NH2+]CC1 257825677 573550348 /nfs/dbraw/zinc/55/03/48/573550348.db2.gz FOGKJHNCLQGVQA-VXGBXAGGSA-N 1 0 199.338 2.173 10 0 AEAERO [NH3+][C@@H]1C[C@@]1(c1ccccc1F)C1CC1 257826228 573550391 /nfs/dbraw/zinc/55/03/91/573550391.db2.gz HMFKXVSWINDLFJ-NEPJUHHUSA-N 1 0 191.249 2.205 10 0 AEAERO C[NH2+][C@@H](C)Cc1cc(Cl)ccc1N 257826257 573550460 /nfs/dbraw/zinc/55/04/60/573550460.db2.gz FSXRWERGEUGXOW-ZETCQYMHSA-N 1 0 198.697 2.073 10 0 AEAERO CC(C)C[C@@H](O)C[C@H]1CCC[NH2+]CC1 257825675 573550468 /nfs/dbraw/zinc/55/04/68/573550468.db2.gz FOGKJHNCLQGVQA-NWDGAFQWSA-N 1 0 199.338 2.173 10 0 AEAERO C[C@@H]([NH3+])[C@@H](F)Sc1ccccc1 197393077 573550518 /nfs/dbraw/zinc/55/05/18/573550518.db2.gz XODCSGUFAHSOEK-APPZFPTMSA-N 1 0 185.267 2.422 10 0 AEAERO CC[NH2+][C@H](CC(C)C)C[C@H]1CCOC1 130352178 573550528 /nfs/dbraw/zinc/55/05/28/573550528.db2.gz QKTNHDMKCOXPGG-VXGBXAGGSA-N 1 0 199.338 2.437 10 0 AEAERO C[C@@H](C[NH3+])C1=CCc2c(F)cccc21 257826317 573550532 /nfs/dbraw/zinc/55/05/32/573550532.db2.gz HOIXQOPWZDEAAN-QMMMGPOBSA-N 1 0 191.249 2.360 10 0 AEAERO CC[C@H](O)C[N@@H+]1CCC12CCCCC2 687980227 573550556 /nfs/dbraw/zinc/55/05/56/573550556.db2.gz IPVOZPXJOLBQST-NSHDSACASA-N 1 0 197.322 2.166 10 0 AEAERO C[C@H]([NH3+])c1c(F)ccc2c1OCCC2 238438183 573550567 /nfs/dbraw/zinc/55/05/67/573550567.db2.gz LSPJQOWSQBZJQQ-ZETCQYMHSA-N 1 0 195.237 2.170 10 0 AEAERO C[NH2+][C@@H](C)c1ncc(-c2ccoc2)o1 83556067 573550656 /nfs/dbraw/zinc/55/06/56/573550656.db2.gz OBUVXOSWIBAZNY-ZETCQYMHSA-N 1 0 192.218 2.215 10 0 AEAERO [NH3+]C1(c2nc(C3CCCC3)c[nH]2)CC1 257825823 573550658 /nfs/dbraw/zinc/55/06/58/573550658.db2.gz HIZZCDNUICNLNY-UHFFFAOYSA-N 1 0 191.278 2.015 10 0 AEAERO C[C@@H]([NH3+])C1=CCc2cccc(F)c21 257826024 573551769 /nfs/dbraw/zinc/55/17/69/573551769.db2.gz HJSPZHFIIGJPGU-SSDOTTSWSA-N 1 0 177.222 2.112 10 0 AEAERO CC[C@H](C)[C@H](CO)[NH2+][C@@H]1CCC1(C)C 308628433 573550664 /nfs/dbraw/zinc/55/06/64/573550664.db2.gz XXLJMAMBLOVMOD-GARJFASQSA-N 1 0 199.338 2.172 10 0 AEAERO [NH3+]C1(c2nc(C3CC3)c[nH]2)CCCC1 257826199 573550686 /nfs/dbraw/zinc/55/06/86/573550686.db2.gz HKTVKFYBRNLJNL-UHFFFAOYSA-N 1 0 191.278 2.015 10 0 AEAERO CO[C@H]1C[NH2+][C@H](c2ccc(C)cc2)C1 257826346 573550703 /nfs/dbraw/zinc/55/07/03/573550703.db2.gz HPJHVDXPCRXCQJ-NEPJUHHUSA-N 1 0 191.274 2.044 10 0 AEAERO CCc1n[nH]c2ccc([C@H](C)[NH3+])cc12 257826242 573550781 /nfs/dbraw/zinc/55/07/81/573550781.db2.gz HMUCTVQPVYUVLL-ZETCQYMHSA-N 1 0 189.262 2.145 10 0 AEAERO CCC1([NH2+][C@H](C)CCCCO)CCC1 308629074 573550801 /nfs/dbraw/zinc/55/08/01/573550801.db2.gz YEFAIFDUQNUUDD-LLVKDONJSA-N 1 0 199.338 2.460 10 0 AEAERO CC[C@@H](O)C[N@@H+]1CCC12CCCCC2 687980224 573550851 /nfs/dbraw/zinc/55/08/51/573550851.db2.gz IPVOZPXJOLBQST-LLVKDONJSA-N 1 0 197.322 2.166 10 0 AEAERO CCC[C@H]([NH2+][C@H]1CCCOC1)C1CC1 126523377 573550863 /nfs/dbraw/zinc/55/08/63/573550863.db2.gz BXKGTTMZEJKJBW-RYUDHWBXSA-N 1 0 197.322 2.334 10 0 AEAERO COCc1ccc([C@H]([NH3+])C2(C)CC2)o1 308630207 573551774 /nfs/dbraw/zinc/55/17/74/573551774.db2.gz YOSPBMXFQKFPNB-JTQLQIEISA-N 1 0 195.262 2.226 10 0 AEAERO C1C[NH2+]CC[C@@H](SC2CC2)C1 258062940 573550941 /nfs/dbraw/zinc/55/09/41/573550941.db2.gz SEKZDSZEAYNQNM-QMMMGPOBSA-N 1 0 171.309 2.024 10 0 AEAERO C[C@H]([NH3+])c1sc(Cl)nc1Cl 238437772 573550942 /nfs/dbraw/zinc/55/09/42/573550942.db2.gz FFXSEBGOWBFJDX-REOHCLBHSA-N 1 0 197.090 2.470 10 0 AEAERO C[C@@](F)(c1ccccc1)[C@@H]1CC[NH2+]1 257825984 573550950 /nfs/dbraw/zinc/55/09/50/573550950.db2.gz HHOSJKVFGUTUGO-WDEREUQCSA-N 1 0 179.238 2.233 10 0 AEAERO C[C@](F)(c1ccccc1)[C@H]1CC[NH2+]1 257825982 573550985 /nfs/dbraw/zinc/55/09/85/573550985.db2.gz HHOSJKVFGUTUGO-MNOVXSKESA-N 1 0 179.238 2.233 10 0 AEAERO CCC(C)(C)[N@H+](C)[C@@]1(CN)CC[C@H]1C 308628265 573550996 /nfs/dbraw/zinc/55/09/96/573550996.db2.gz XTCGYCPYKIQLAM-ZYHUDNBSSA-N 1 0 198.354 2.234 10 0 AEAERO C[NH2+][C@H](C)[C@@H]1CCc2ccc(O)cc21 257825770 573551016 /nfs/dbraw/zinc/55/10/16/573551016.db2.gz HHNCYTYERQNFFZ-KCJUWKMLSA-N 1 0 191.274 2.030 10 0 AEAERO C[C@H]1CC[C@@](C)(c2cccc(O)c2)[NH2+]1 258062981 573551043 /nfs/dbraw/zinc/55/10/43/573551043.db2.gz SWAVLUNRGVYWJR-CABZTGNLSA-N 1 0 191.274 2.379 10 0 AEAERO C[NH2+]CC1=CCCc2cc(F)ccc21 257825758 573551068 /nfs/dbraw/zinc/55/10/68/573551068.db2.gz HHDUKSXKMDOLQP-UHFFFAOYSA-N 1 0 191.249 2.375 10 0 AEAERO C[C@@H](C[NH3+])[C@H](O)C1CCCCCCC1 83563681 573551070 /nfs/dbraw/zinc/55/10/70/573551070.db2.gz XAVTYFAHEJSJNH-JQWIXIFHSA-N 1 0 199.338 2.303 10 0 AEAERO C[C@@H](C[NH3+])[C@](C)(F)c1ccc(O)cc1 257829703 573551081 /nfs/dbraw/zinc/55/10/81/573551081.db2.gz ITXXGSWQLCVYHK-KWQFWETISA-N 1 0 197.253 2.172 10 0 AEAERO C[NH2+][C@H](C)C[C@H](F)c1cccc(O)c1 257826191 573551111 /nfs/dbraw/zinc/55/11/11/573551111.db2.gz HKQQHCDHCSTYLE-KCJUWKMLSA-N 1 0 197.253 2.401 10 0 AEAERO Cc1ccc(N[C@@H]2CCC[NH2+]2)cc1 257826037 573551204 /nfs/dbraw/zinc/55/12/04/573551204.db2.gz HKOKHRSDDHFKSX-LLVKDONJSA-N 1 0 176.263 2.116 10 0 AEAERO CCO[C@H](CC[NH3+])CC1CCCC1 257825646 573551192 /nfs/dbraw/zinc/55/11/92/573551192.db2.gz HFSZEQLDZIFFHJ-LLVKDONJSA-N 1 0 185.311 2.321 10 0 AEAERO CC(=O)CC[C@H](C1CCCC1)[NH+](C)C 259502451 573551226 /nfs/dbraw/zinc/55/12/26/573551226.db2.gz LTKOCZKVBDBUHS-GFCCVEGCSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@@H](c1cc(N)ccc1F)[NH+](C)C 257826031 573551229 /nfs/dbraw/zinc/55/12/29/573551229.db2.gz HJUAFIBFJWSKLX-ZETCQYMHSA-N 1 0 182.242 2.031 10 0 AEAERO COCC[NH2+][C@H](C)[C@@H]1CCC[C@H](C)C1 308629000 573551787 /nfs/dbraw/zinc/55/17/87/573551787.db2.gz YDIAEQOAOPOWFB-QJPTWQEYSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+][C@H](C)[C@H]1CCc2ccc(O)cc21 257825774 573551275 /nfs/dbraw/zinc/55/12/75/573551275.db2.gz HHNCYTYERQNFFZ-LDYMZIIASA-N 1 0 191.274 2.030 10 0 AEAERO C[NH2+]C[C@H](F)c1cccc(C)c1OC 257825527 573551287 /nfs/dbraw/zinc/55/12/87/573551287.db2.gz GQDIWNGXOQOKPF-JTQLQIEISA-N 1 0 197.253 2.234 10 0 AEAERO C[C@H]([NH3+])c1c(N)ccc2c1CCCC2 238438281 573551310 /nfs/dbraw/zinc/55/13/10/573551310.db2.gz OLJBKWXNGIMODL-QMMMGPOBSA-N 1 0 190.290 2.167 10 0 AEAERO CCC[C@@H]([NH2+][C@@H]1CCCOC1)C1CC1 126523165 573551333 /nfs/dbraw/zinc/55/13/33/573551333.db2.gz BXKGTTMZEJKJBW-VXGBXAGGSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@H](CCCCF)COC(C)C 393534768 573551366 /nfs/dbraw/zinc/55/13/66/573551366.db2.gz HJKRMCMLRRPPMB-SNVBAGLBSA-N 1 0 191.290 2.139 10 0 AEAERO CCCOCC[NH2+][C@@H]1CC[C@H](C)C1 233227787 573551401 /nfs/dbraw/zinc/55/14/01/573551401.db2.gz CRDBNZSWJOPJOU-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO C[NH2+]C[C@@H](F)c1cccc(C)c1OC 257825528 573551418 /nfs/dbraw/zinc/55/14/18/573551418.db2.gz GQDIWNGXOQOKPF-SNVBAGLBSA-N 1 0 197.253 2.234 10 0 AEAERO C[C@H](C[NH3+])[C@](C)(F)c1ccc(O)cc1 257829702 573551479 /nfs/dbraw/zinc/55/14/79/573551479.db2.gz ITXXGSWQLCVYHK-KCJUWKMLSA-N 1 0 197.253 2.172 10 0 AEAERO CO[C@@H]1C[NH2+][C@H](c2ccc(C)cc2)C1 257826349 573551497 /nfs/dbraw/zinc/55/14/97/573551497.db2.gz HPJHVDXPCRXCQJ-RYUDHWBXSA-N 1 0 191.274 2.044 10 0 AEAERO C[NH2+][C@@H](CCSC)c1ccc[nH]1 259111779 573551516 /nfs/dbraw/zinc/55/15/16/573551516.db2.gz KMMZYERSAPOUGF-QMMMGPOBSA-N 1 0 184.308 2.028 10 0 AEAERO CCC1([NH2+][C@@H](C)CCCCO)CCC1 308629076 573551548 /nfs/dbraw/zinc/55/15/48/573551548.db2.gz YEFAIFDUQNUUDD-NSHDSACASA-N 1 0 199.338 2.460 10 0 AEAERO CCC(C)(C)[N@H+](C)[C@]1(CN)CC[C@H]1C 308628263 573551562 /nfs/dbraw/zinc/55/15/62/573551562.db2.gz XTCGYCPYKIQLAM-PWSUYJOCSA-N 1 0 198.354 2.234 10 0 AEAERO C[C@@H](C[NH3+])[C@@](C)(F)c1ccc(O)cc1 257829701 573551567 /nfs/dbraw/zinc/55/15/67/573551567.db2.gz ITXXGSWQLCVYHK-GZMMTYOYSA-N 1 0 197.253 2.172 10 0 AEAERO C[C@H]1CC[NH+]=C(Cc2ccccc2)N1 238437849 573551569 /nfs/dbraw/zinc/55/15/69/573551569.db2.gz WDWMBZNLJOKEOJ-JTQLQIEISA-N 1 0 188.274 2.009 10 0 AEAERO [NH3+][C@H]1CC[C@](O)(C2=CCCCCC2)C1 236329427 573551573 /nfs/dbraw/zinc/55/15/73/573551573.db2.gz DQCQVFONHOVUNW-NWDGAFQWSA-N 1 0 195.306 2.119 10 0 AEAERO C[C@H](C[NH3+])C1=Cc2ccccc2C1 257825597 573551582 /nfs/dbraw/zinc/55/15/82/573551582.db2.gz HEOFGTJLNZNBCG-SECBINFHSA-N 1 0 173.259 2.221 10 0 AEAERO [NH3+][C@@H]1C[C@@]1(c1ccccc1)C1CCC1 257826311 573551628 /nfs/dbraw/zinc/55/16/28/573551628.db2.gz HOHRAPVAYYRFDE-CHWSQXEVSA-N 1 0 187.286 2.456 10 0 AEAERO [NH3+][C@@H]1C[C@]1(c1ccccc1F)C1CC1 257826229 573551635 /nfs/dbraw/zinc/55/16/35/573551635.db2.gz HMFKXVSWINDLFJ-VXGBXAGGSA-N 1 0 191.249 2.205 10 0 AEAERO C[NH2+][C@H](C)c1ncc(-c2ccoc2)o1 83556069 573551814 /nfs/dbraw/zinc/55/18/14/573551814.db2.gz OBUVXOSWIBAZNY-SSDOTTSWSA-N 1 0 192.218 2.215 10 0 AEAERO CCC(F)(F)[C@@H]1CCC[NH2+]CC1 257826022 573551828 /nfs/dbraw/zinc/55/18/28/573551828.db2.gz HJNDLRAUKGJPHB-MRVPVSSYSA-N 1 0 177.238 2.421 10 0 AEAERO C[NH2+]Cc1ccccc1N1CC[C@H]1C 86662977 573551876 /nfs/dbraw/zinc/55/18/76/573551876.db2.gz AUXGCJZCJHLEGH-SNVBAGLBSA-N 1 0 190.290 2.005 10 0 AEAERO CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCC1(C)C 308628434 573551903 /nfs/dbraw/zinc/55/19/03/573551903.db2.gz XXLJMAMBLOVMOD-HBNTYKKESA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@@H](C[NH3+])[C@H](O)C1CCCCCC1 83564280 573551904 /nfs/dbraw/zinc/55/19/04/573551904.db2.gz ORXKJMFLSGXTKA-JQWIXIFHSA-N 1 0 199.338 2.303 10 0 AEAERO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](O)C1 308628400 573551924 /nfs/dbraw/zinc/55/19/24/573551924.db2.gz XWPXBTYOBRWGLV-WDEREUQCSA-N 1 0 199.338 2.316 10 0 AEAERO CC[C@H](C)[C@H](CO)[NH2+][C@H]1CCC1(C)C 308628432 573552004 /nfs/dbraw/zinc/55/20/04/573552004.db2.gz XXLJMAMBLOVMOD-DCAQKATOSA-N 1 0 199.338 2.172 10 0 AEAERO CCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)CCO 308630766 573552029 /nfs/dbraw/zinc/55/20/29/573552029.db2.gz YUUUBDBJSVFPJT-SRVKXCTJSA-N 1 0 199.338 2.316 10 0 AEAERO [NH3+][C@H](C[C@@H]1CCOC1)C1=CCCCC1 236314783 573552093 /nfs/dbraw/zinc/55/20/93/573552093.db2.gz XNFWDWPZDZGGPD-CMPLNLGQSA-N 1 0 195.306 2.241 10 0 AEAERO CCC1CC([NH2+]C[C@@H](CC)CCO)C1 308628309 573552117 /nfs/dbraw/zinc/55/21/17/573552117.db2.gz XUENKLIJXIRSES-UNXYVOJBSA-N 1 0 199.338 2.173 10 0 AEAERO COCc1ccc([C@@H]([NH3+])C2(C)CC2)o1 308630216 573552230 /nfs/dbraw/zinc/55/22/30/573552230.db2.gz YOSPBMXFQKFPNB-SNVBAGLBSA-N 1 0 195.262 2.226 10 0 AEAERO CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCC1(C)C 308628431 573552251 /nfs/dbraw/zinc/55/22/51/573552251.db2.gz XXLJMAMBLOVMOD-AXFHLTTASA-N 1 0 199.338 2.172 10 0 AEAERO C1CC(CC[NH2+]CC2CCOCC2)C1 130352415 573552272 /nfs/dbraw/zinc/55/22/72/573552272.db2.gz SQIPMWIWPJHMET-UHFFFAOYSA-N 1 0 197.322 2.193 10 0 AEAERO CCC[C@H]([NH2+]C[C@H](C)N(C)C)C1CC1 126515569 573552313 /nfs/dbraw/zinc/55/23/13/573552313.db2.gz QTNDHWUQFXRKBQ-JQWIXIFHSA-N 1 0 198.354 2.105 10 0 AEAERO CCCSC1(C[NH2+]C)CCC1 259121316 573552321 /nfs/dbraw/zinc/55/23/21/573552321.db2.gz CAUCFWNYCPYHBM-UHFFFAOYSA-N 1 0 173.325 2.272 10 0 AEAERO [NH3+][C@@H]1CSCC[C@@H]1CC(F)(F)F 82383909 573552355 /nfs/dbraw/zinc/55/23/55/573552355.db2.gz BODVSNMWXPIXQY-PHDIDXHHSA-N 1 0 199.241 2.019 10 0 AEAERO CCC1CC([NH2+]C[C@H](CC)CCO)C1 308628311 573552391 /nfs/dbraw/zinc/55/23/91/573552391.db2.gz XUENKLIJXIRSES-VOMCLLRMSA-N 1 0 199.338 2.173 10 0 AEAERO C[N@H+](CC1(C)CCCC1)C(C)(C)CO 393667171 573552396 /nfs/dbraw/zinc/55/23/96/573552396.db2.gz MUAIFLBKUYCIMB-UHFFFAOYSA-N 1 0 199.338 2.269 10 0 AEAERO CC[N@H+](C)CC(C)(C)CC 223128500 573552447 /nfs/dbraw/zinc/55/24/47/573552447.db2.gz SOHNTURSCKUXCA-UHFFFAOYSA-N 1 0 143.274 2.374 10 0 AEAERO C[C@H]1CC[N@@H+]2Cc3ccccc3N[C@@H]12 238437818 573552501 /nfs/dbraw/zinc/55/25/01/573552501.db2.gz ZQNVTVYKKPROFO-JOYOIKCWSA-N 1 0 188.274 2.280 10 0 AEAERO C[C@H]([NH3+])c1occc1C(F)(F)F 238437623 573552579 /nfs/dbraw/zinc/55/25/79/573552579.db2.gz WKKIYYJYXYIGHW-BYPYZUCNSA-N 1 0 179.141 2.318 10 0 AEAERO CCc1cccnc1C1(C[NH3+])CCC1 259121975 573552603 /nfs/dbraw/zinc/55/26/03/573552603.db2.gz FUBFVAVULCPSPT-UHFFFAOYSA-N 1 0 190.290 2.024 10 0 AEAERO C[NH+](C)[C@@H]1CCCc2cccc(N)c21 257830242 573552627 /nfs/dbraw/zinc/55/26/27/573552627.db2.gz IYZGCKCHLLKTHB-LLVKDONJSA-N 1 0 190.290 2.208 10 0 AEAERO C[C@H](C[NH3+])[C@H](O)C1CCCCCCC1 83563682 573552638 /nfs/dbraw/zinc/55/26/38/573552638.db2.gz XAVTYFAHEJSJNH-PWSUYJOCSA-N 1 0 199.338 2.303 10 0 AEAERO COCC[NH2+][C@H](C)[C@H]1CCC[C@H](C)C1 308629001 573552639 /nfs/dbraw/zinc/55/26/39/573552639.db2.gz YDIAEQOAOPOWFB-TUAOUCFPSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+][C@H](C)c1ncc([C@@H]2C[C@H]2C)o1 83556016 573552647 /nfs/dbraw/zinc/55/26/47/573552647.db2.gz LUJBXNFNXHUMCR-BWZBUEFSSA-N 1 0 180.251 2.078 10 0 AEAERO C[C@](F)(C[NH3+])c1ccc(Cl)o1 257830104 573552689 /nfs/dbraw/zinc/55/26/89/573552689.db2.gz JIJHDKWQYREDAN-ZETCQYMHSA-N 1 0 177.606 2.076 10 0 AEAERO C[NH2+][C@@H](CCCCF)COC(C)C 393534767 573552697 /nfs/dbraw/zinc/55/26/97/573552697.db2.gz HJKRMCMLRRPPMB-JTQLQIEISA-N 1 0 191.290 2.139 10 0 AEAERO CC[C@H]([NH3+])c1cccc(OC)c1F 95683171 573552838 /nfs/dbraw/zinc/55/28/38/573552838.db2.gz QLMLVWSRCRVRFI-QMMMGPOBSA-N 1 0 183.226 2.244 10 0 AEAERO CCC[C@H]([NH2+]C[C@@H](C)N(C)C)C1CC1 126515122 573552877 /nfs/dbraw/zinc/55/28/77/573552877.db2.gz QTNDHWUQFXRKBQ-PWSUYJOCSA-N 1 0 198.354 2.105 10 0 AEAERO CCN(CC)C(C)(C)C[NH2+]C1CCC1 308628110 573552916 /nfs/dbraw/zinc/55/29/16/573552916.db2.gz XRTQWELWWUUVOM-UHFFFAOYSA-N 1 0 198.354 2.249 10 0 AEAERO C[NH2+][C@H](CCSC)c1ccc[nH]1 259111776 573552922 /nfs/dbraw/zinc/55/29/22/573552922.db2.gz KMMZYERSAPOUGF-MRVPVSSYSA-N 1 0 184.308 2.028 10 0 AEAERO [NH3+]CCc1cc(C2CCCC2)ns1 75396504 573552925 /nfs/dbraw/zinc/55/29/25/573552925.db2.gz LAGBNSYTQFQJOI-UHFFFAOYSA-N 1 0 196.319 2.302 10 0 AEAERO C[C@]12C[NH2+]C[C@H]1[C@@H](c1ccccc1)C2 238437005 573552943 /nfs/dbraw/zinc/55/29/43/573552943.db2.gz IDGCTOQEVHNVKR-AGIUHOORSA-N 1 0 187.286 2.400 10 0 AEAERO C[NH2+][C@@H](C)c1ncc(-c2ccco2)o1 83556206 573553092 /nfs/dbraw/zinc/55/30/92/573553092.db2.gz KZQGHLKUBQJUBN-ZETCQYMHSA-N 1 0 192.218 2.215 10 0 AEAERO CCC(C)(C)[C@H](O)[C@H](C[NH3+])C(C)C 83563023 573553107 /nfs/dbraw/zinc/55/31/07/573553107.db2.gz NUJVYLUWEQLYHQ-NXEZZACHSA-N 1 0 187.327 2.014 10 0 AEAERO FC(F)(C1CCC1)[C@@H]1CCC[NH2+]1 257830216 573553129 /nfs/dbraw/zinc/55/31/29/573553129.db2.gz JDXZEBIMYDNWQU-QMMMGPOBSA-N 1 0 175.222 2.174 10 0 AEAERO CCc1cc(C[NH2+]C2CC(C)C2)on1 308630367 573553153 /nfs/dbraw/zinc/55/31/53/573553153.db2.gz YRITZDPTWHQEEW-UHFFFAOYSA-N 1 0 194.278 2.125 10 0 AEAERO C[NH2+][C@@H](C)c1ncc(C(C)C)o1 83556041 573553181 /nfs/dbraw/zinc/55/31/81/573553181.db2.gz YQTGMSAHHQXDKI-ZETCQYMHSA-N 1 0 168.240 2.078 10 0 AEAERO C[C@H]([NH3+])c1oncc1C1CCCC1 257830054 573553207 /nfs/dbraw/zinc/55/32/07/573553207.db2.gz JEGYPPRINCHBMM-ZETCQYMHSA-N 1 0 180.251 2.352 10 0 AEAERO C[C@]12C[NH2+]C[C@H]1[C@H](c1ccccc1)C2 238437026 573553226 /nfs/dbraw/zinc/55/32/26/573553226.db2.gz IDGCTOQEVHNVKR-AVGNSLFASA-N 1 0 187.286 2.400 10 0 AEAERO CCC[C@@H]([NH2+]C[C@@H](C)N(C)C)C1CC1 126515349 573553282 /nfs/dbraw/zinc/55/32/82/573553282.db2.gz QTNDHWUQFXRKBQ-ZYHUDNBSSA-N 1 0 198.354 2.105 10 0 AEAERO CCC[C@H](C)C[C@@H]([NH3+])c1cnsn1 162422370 573553333 /nfs/dbraw/zinc/55/33/33/573553333.db2.gz PRXXGADSQQYWSI-JGVFFNPUSA-N 1 0 199.323 2.364 10 0 AEAERO CC(C)[NH2+]C(C)(C)CN1CCCCC1 308627765 573553363 /nfs/dbraw/zinc/55/33/63/573553363.db2.gz IOLLOUCHFNADSQ-UHFFFAOYSA-N 1 0 198.354 2.249 10 0 AEAERO COc1ccc(C)cc1S[C@@H](C)[NH3+] 259120779 573553382 /nfs/dbraw/zinc/55/33/82/573553382.db2.gz BVMAEYOLFFFGRA-QMMMGPOBSA-N 1 0 197.303 2.400 10 0 AEAERO C[C@@H](C[NH3+])[C@@H](O)C1CCCCCCC1 83563683 573554554 /nfs/dbraw/zinc/55/45/54/573554554.db2.gz XAVTYFAHEJSJNH-CMPLNLGQSA-N 1 0 199.338 2.303 10 0 AEAERO CCCOCC[C@@H](C[NH3+])C(C)C 233228997 573553424 /nfs/dbraw/zinc/55/34/24/573553424.db2.gz DCZAWWQUKMRAIM-JTQLQIEISA-N 1 0 173.300 2.034 10 0 AEAERO C[C@@](F)(C[NH3+])c1ccc(Cl)o1 257830103 573553430 /nfs/dbraw/zinc/55/34/30/573553430.db2.gz JIJHDKWQYREDAN-SSDOTTSWSA-N 1 0 177.606 2.076 10 0 AEAERO C[NH2+][C@@H](C)c1ncc(C2CCC2)o1 83556253 573553443 /nfs/dbraw/zinc/55/34/43/573553443.db2.gz XXBZSSBYVWHZQL-ZETCQYMHSA-N 1 0 180.251 2.223 10 0 AEAERO COCC[NH2+][C@H](C)[C@H]1CCC[C@@H](C)C1 308629002 573553531 /nfs/dbraw/zinc/55/35/31/573553531.db2.gz YDIAEQOAOPOWFB-UTUOFQBUSA-N 1 0 199.338 2.437 10 0 AEAERO C[C@@H](F)[C@@H](C[NH3+])C1CCCCC1 257826509 573553625 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183.276 2.003 10 0 AEAERO C[C@@H](C[C@@H]1CC[NH2+]C1)C(F)(F)F 107412979 573583127 /nfs/dbraw/zinc/58/31/27/573583127.db2.gz YSJIXNCKKYBMHY-BQBZGAKWSA-N 1 0 181.201 2.184 10 0 AEAERO C[C@@H]1C[NH2+][C@@H](c2ccc(F)cc2)OC1 258799116 573583134 /nfs/dbraw/zinc/58/31/34/573583134.db2.gz XYQIEEBDEMEAMC-LDYMZIIASA-N 1 0 195.237 2.080 10 0 AEAERO C[C@H](C[NH3+])[C@H]1CCc2ccccc21 107407703 573583136 /nfs/dbraw/zinc/58/31/36/573583136.db2.gz XMJLEOCCERETGV-MWLCHTKSSA-N 1 0 175.275 2.311 10 0 AEAERO C[C@@H](C[NH3+])[C@@H]1CCc2ccccc21 107407698 573583168 /nfs/dbraw/zinc/58/31/68/573583168.db2.gz XMJLEOCCERETGV-ONGXEEELSA-N 1 0 175.275 2.311 10 0 AEAERO C[NH2+]C(C)(C)[C@H](O)CCC1CCCC1 308638263 573583178 /nfs/dbraw/zinc/58/31/78/573583178.db2.gz BWFPQTXQRWKKOY-LLVKDONJSA-N 1 0 199.338 2.316 10 0 AEAERO C[C@H]1Cc2ccc(F)cc2[C@@H]1C[NH3+] 107410174 573583180 /nfs/dbraw/zinc/58/31/80/573583180.db2.gz XXGWQBUUUDZWLY-WRWORJQWSA-N 1 0 179.238 2.060 10 0 AEAERO C[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F 107412988 573583184 /nfs/dbraw/zinc/58/31/84/573583184.db2.gz YEAPXMBYMMXURJ-NKWVEPMBSA-N 1 0 181.201 2.184 10 0 AEAERO C[C@H]([NH3+])[C@H]1CCc2cc(F)ccc21 107410151 573583237 /nfs/dbraw/zinc/58/32/37/573583237.db2.gz HMCMIHXOUYCBIO-OIBJUYFYSA-N 1 0 179.238 2.203 10 0 AEAERO C[C@@H]([NH3+])[C@H](C)CCC1CCOCC1 308402527 573583269 /nfs/dbraw/zinc/58/32/69/573583269.db2.gz JMPFJQRZNNEVJJ-NXEZZACHSA-N 1 0 185.311 2.177 10 0 AEAERO C[C@H](C[C@H]1CC[NH2+]C1)C(F)(F)F 107412985 573583285 /nfs/dbraw/zinc/58/32/85/573583285.db2.gz YSJIXNCKKYBMHY-RNFRBKRXSA-N 1 0 181.201 2.184 10 0 AEAERO C[C@@H]1Cc2cocc2[C@@H]1[NH2+]C1CC1 107408958 573583332 /nfs/dbraw/zinc/58/33/32/573583332.db2.gz RCXGVPZLFLNYLX-RDDDGLTNSA-N 1 0 177.247 2.265 10 0 AEAERO C[C@H]([NH3+])[C@@H]1CCc2cc(F)ccc21 107410145 573583380 /nfs/dbraw/zinc/58/33/80/573583380.db2.gz HMCMIHXOUYCBIO-XVKPBYJWSA-N 1 0 179.238 2.203 10 0 AEAERO COC1CC([N@H+](C)CC=C(C)C)C1 308402834 573583383 /nfs/dbraw/zinc/58/33/83/573583383.db2.gz HYTMVYCAPCVGED-UHFFFAOYSA-N 1 0 183.295 2.062 10 0 AEAERO C[C@@H](c1ccco1)[C@H]1CCC[NH2+]C1 107410386 573583580 /nfs/dbraw/zinc/58/35/80/573583580.db2.gz UJWFVAQOKZBPOR-ZJUUUORDSA-N 1 0 179.263 2.383 10 0 AEAERO C[C@H]1C[NH2+][C@H](c2cccs2)OC1 258807684 573585081 /nfs/dbraw/zinc/58/50/81/573585081.db2.gz YFFJETMGKWYUDH-CBAPKCEASA-N 1 0 183.276 2.003 10 0 AEAERO COc1ccc(S[C@H](C)[NH3+])cc1 259114745 573584508 /nfs/dbraw/zinc/58/45/08/573584508.db2.gz BEYBBXBCUDNNFV-SSDOTTSWSA-N 1 0 183.276 2.092 10 0 AEAERO C[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)F 107412994 573584531 /nfs/dbraw/zinc/58/45/31/573584531.db2.gz YEAPXMBYMMXURJ-RQJHMYQMSA-N 1 0 181.201 2.184 10 0 AEAERO C[NH2+][C@H]1c2ccccc2OC1(C)C 107408826 573584556 /nfs/dbraw/zinc/58/45/56/573584556.db2.gz KKPNMVIRBQBIAS-JTQLQIEISA-N 1 0 177.247 2.118 10 0 AEAERO CCC[C@@H]1C[C@@]1([NH3+])c1ccc(F)cn1 86707604 573584564 /nfs/dbraw/zinc/58/45/64/573584564.db2.gz RLUCMZBYAZULPF-KCJUWKMLSA-N 1 0 194.253 2.195 10 0 AEAERO COc1c([C@H](C)[NH3+])[nH]c2ccccc12 238442074 573584575 /nfs/dbraw/zinc/58/45/75/573584575.db2.gz QHVGDHZQTLDTCG-ZETCQYMHSA-N 1 0 190.246 2.196 10 0 AEAERO C[C@H]([NH3+])C[C@H](C)c1ccccc1O 107410244 573584585 /nfs/dbraw/zinc/58/45/85/573584585.db2.gz FUHQQZJWEMDLPI-IUCAKERBSA-N 1 0 179.263 2.233 10 0 AEAERO CCc1n[nH]c2cccc([C@@H](C)[NH3+])c12 257833098 573584603 /nfs/dbraw/zinc/58/46/03/573584603.db2.gz KBBNCQBIHDIYOB-SSDOTTSWSA-N 1 0 189.262 2.145 10 0 AEAERO C[C@@H](c1ccccc1O)C(C)(C)[NH3+] 107410320 573584613 /nfs/dbraw/zinc/58/46/13/573584613.db2.gz HCIUZEZWJDVVIP-QMMMGPOBSA-N 1 0 179.263 2.233 10 0 AEAERO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCO 308638406 573584671 /nfs/dbraw/zinc/58/46/71/573584671.db2.gz DAYPUOIAOUDMHY-SDDRHHMPSA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@H](C[NH2+]C)C1(CC(C)C)COC1 258803512 573584674 /nfs/dbraw/zinc/58/46/74/573584674.db2.gz XCKIDTJDJHPPLE-LLVKDONJSA-N 1 0 199.338 2.295 10 0 AEAERO [NH3+][C@@H](CC1CCC1)c1ccc(F)cn1 86705287 573584712 /nfs/dbraw/zinc/58/47/12/573584712.db2.gz SIFGKUKRTKIWIQ-JTQLQIEISA-N 1 0 194.253 2.411 10 0 AEAERO CC[C@H](C)[NH2+]Cc1cccnc1F 308403450 573584714 /nfs/dbraw/zinc/58/47/14/573584714.db2.gz IHOQXHDMBYZJIE-QMMMGPOBSA-N 1 0 182.242 2.109 10 0 AEAERO CC1(C)COc2ccccc2[C@H]1[NH3+] 107408855 573584722 /nfs/dbraw/zinc/58/47/22/573584722.db2.gz MWSQQDIZPIJJJO-SNVBAGLBSA-N 1 0 177.247 2.105 10 0 AEAERO C[C@H]([NH2+]CC1CC1)c1ccnc(F)c1 308639107 573584723 /nfs/dbraw/zinc/58/47/23/573584723.db2.gz DGCJMFZEBCEBFX-QMMMGPOBSA-N 1 0 194.253 2.281 10 0 AEAERO [NH3+]CC[C@H](F)CCCC(F)(F)F 130447403 573584746 /nfs/dbraw/zinc/58/47/46/573584746.db2.gz RKRNZPXQMKGXNS-ZCFIWIBFSA-N 1 0 187.180 2.406 10 0 AEAERO C[C@@H](c1ccco1)[C@@H]1CCC[NH2+]C1 107410381 573584767 /nfs/dbraw/zinc/58/47/67/573584767.db2.gz UJWFVAQOKZBPOR-NXEZZACHSA-N 1 0 179.263 2.383 10 0 AEAERO C[NH2+]C[C@H]1CCc2ccc(F)cc21 107410162 573584776 /nfs/dbraw/zinc/58/47/76/573584776.db2.gz JXDFVBVNIJVPAM-SECBINFHSA-N 1 0 179.238 2.075 10 0 AEAERO CC[C@@H](C)[NH2+]Cc1cc(N)ccc1F 308638806 573584787 /nfs/dbraw/zinc/58/47/87/573584787.db2.gz CBYSYRFOSWLBEQ-MRVPVSSYSA-N 1 0 196.269 2.296 10 0 AEAERO C[NH2+]C[C@H](F)c1ccc(OC)cc1C 257833195 573584794 /nfs/dbraw/zinc/58/47/94/573584794.db2.gz KXVDQQWBMQIIDV-NSHDSACASA-N 1 0 197.253 2.234 10 0 AEAERO CC[C@H](C)[C@H]([NH3+])c1ccc(F)cn1 86705620 573584808 /nfs/dbraw/zinc/58/48/08/573584808.db2.gz NZWPTJOGIHGJEK-XVKPBYJWSA-N 1 0 182.242 2.267 10 0 AEAERO CCOc1cccc([C@@H](F)CC[NH3+])c1 130446548 573584825 /nfs/dbraw/zinc/58/48/25/573584825.db2.gz YEADXGWDTBMDHU-NSHDSACASA-N 1 0 197.253 2.445 10 0 AEAERO C[NH2+]C[C@@H](F)c1ccc(OC)cc1C 257833192 573584841 /nfs/dbraw/zinc/58/48/41/573584841.db2.gz KXVDQQWBMQIIDV-LLVKDONJSA-N 1 0 197.253 2.234 10 0 AEAERO C[C@@H](C[NH3+])[C@H]1CCc2ccccc21 107407701 573584845 /nfs/dbraw/zinc/58/48/45/573584845.db2.gz XMJLEOCCERETGV-GXSJLCMTSA-N 1 0 175.275 2.311 10 0 AEAERO CC(C)(C)[C@H]([NH3+])c1ccc(F)cn1 86705471 573584851 /nfs/dbraw/zinc/58/48/51/573584851.db2.gz WPRXXGZKFVDYPB-SECBINFHSA-N 1 0 182.242 2.267 10 0 AEAERO FC(F)(F)C1([C@H]2CCC[NH2+]2)CC1 107410010 573584898 /nfs/dbraw/zinc/58/48/98/573584898.db2.gz YHDAGSPMQREJKM-ZCFIWIBFSA-N 1 0 179.185 2.081 10 0 AEAERO [NH3+][C@H](c1ccc(F)cn1)C1CCCC1 86705503 573584950 /nfs/dbraw/zinc/58/49/50/573584950.db2.gz KFCOKDNOTCQFRT-NSHDSACASA-N 1 0 194.253 2.411 10 0 AEAERO [NH3+]CCNc1csc2ccccc12 258798133 573584981 /nfs/dbraw/zinc/58/49/81/573584981.db2.gz QZDDHCZQXSEODZ-UHFFFAOYSA-N 1 0 192.287 2.272 10 0 AEAERO Cc1cccc(NCC2CC([NH3+])C2)c1 258807388 573584993 /nfs/dbraw/zinc/58/49/93/573584993.db2.gz UAESMHBIGCDNCT-UHFFFAOYSA-N 1 0 190.290 2.144 10 0 AEAERO CC[C@@H](C)[NH2+]Cc1cccnc1F 308403449 573585003 /nfs/dbraw/zinc/58/50/03/573585003.db2.gz IHOQXHDMBYZJIE-MRVPVSSYSA-N 1 0 182.242 2.109 10 0 AEAERO C[NH2+][C@H](C=C(C)C)c1ccc(F)cn1 86706735 573585033 /nfs/dbraw/zinc/58/50/33/573585033.db2.gz BNMANZMLZISVQH-LLVKDONJSA-N 1 0 194.253 2.447 10 0 AEAERO C[C@@H](c1ccco1)C1CC[NH2+]CC1 107410398 573585089 /nfs/dbraw/zinc/58/50/89/573585089.db2.gz CNTFBYNUSVQKGX-SECBINFHSA-N 1 0 179.263 2.383 10 0 AEAERO c1cc2c(s1)[C@H]([NH2+]C1CC1)CC2 107411658 573585241 /nfs/dbraw/zinc/58/52/41/573585241.db2.gz KNBBPJILRWSXPN-SECBINFHSA-N 1 0 179.288 2.487 10 0 AEAERO C[C@@H](CC(F)(F)F)[C@H]1CCC[NH2+]1 107412964 573585264 /nfs/dbraw/zinc/58/52/64/573585264.db2.gz XNRBMCWUCKGAFW-NKWVEPMBSA-N 1 0 181.201 2.327 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1CSc2ccccc21 107411576 573585270 /nfs/dbraw/zinc/58/52/70/573585270.db2.gz XIRHWVACLXKUFG-APPZFPTMSA-N 1 0 179.288 2.223 10 0 AEAERO C[C@H]([NH3+])[C@@H]1CCc2c(F)cccc21 107410125 573585307 /nfs/dbraw/zinc/58/53/07/573585307.db2.gz BJOZKURWARRGPW-YUMQZZPRSA-N 1 0 179.238 2.203 10 0 AEAERO C[C@@H]1C[C@@H]2[C@@H](CC[NH2+]1)C2(C)C 238441608 573585343 /nfs/dbraw/zinc/58/53/43/573585343.db2.gz LKOJWZGOYVCBPB-IWSPIJDZSA-N 1 0 153.269 2.031 10 0 AEAERO Cc1ccc2c(c1)[C@H]([C@@H](C)[NH3+])CC2 107407732 573585364 /nfs/dbraw/zinc/58/53/64/573585364.db2.gz TZTJOSOOBTWAHZ-KOLCDFICSA-N 1 0 175.275 2.372 10 0 AEAERO C[C@@H]1Cc2ccccc2[C@@H]1CC[NH3+] 107407707 573585403 /nfs/dbraw/zinc/58/54/03/573585403.db2.gz HPNHFZNXUPHOIG-MWLCHTKSSA-N 1 0 175.275 2.311 10 0 AEAERO C[C@H]([NH3+])[C@@H]1CCc2ccc(F)cc21 107410134 573585414 /nfs/dbraw/zinc/58/54/14/573585414.db2.gz NGBWORHTYOIMFQ-XVKPBYJWSA-N 1 0 179.238 2.203 10 0 AEAERO C[C@@]1(Cc2ccco2)CCCC[NH2+]1 258066016 573585426 /nfs/dbraw/zinc/58/54/26/573585426.db2.gz FBCMLSHDTVORSX-NSHDSACASA-N 1 0 179.263 2.354 10 0 AEAERO C[C@H]([NH3+])[C@H]1c2ccccc2OC12CC2 107419575 573587069 /nfs/dbraw/zinc/58/70/69/573587069.db2.gz MJNMLNKCAFKPBS-KWQFWETISA-N 1 0 189.258 2.042 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1c2ccccc2OC12CC2 107419573 573587071 /nfs/dbraw/zinc/58/70/71/573587071.db2.gz MJNMLNKCAFKPBS-LDYMZIIASA-N 1 0 189.258 2.042 10 0 AEAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(F)cn1 86705617 573587081 /nfs/dbraw/zinc/58/70/81/573587081.db2.gz NZWPTJOGIHGJEK-XCBNKYQSSA-N 1 0 182.242 2.267 10 0 AEAERO C[NH2+]CC/C=C(\C)[C@@H]1CCC[C@@H]1OC 308637909 573586560 /nfs/dbraw/zinc/58/65/60/573586560.db2.gz BSDLFCPUWIEKDS-RZZPXTMHSA-N 1 0 197.322 2.357 10 0 AEAERO COc1c([C@@H](C)[NH3+])[nH]c2ccccc12 238441977 573586579 /nfs/dbraw/zinc/58/65/79/573586579.db2.gz QHVGDHZQTLDTCG-SSDOTTSWSA-N 1 0 190.246 2.196 10 0 AEAERO [NH3+]C[C@H]1c2ccccc2CCC12CC2 107418965 573586584 /nfs/dbraw/zinc/58/65/84/573586584.db2.gz GIORPGIHJLNZIL-LBPRGKRZSA-N 1 0 187.286 2.455 10 0 AEAERO C[NH2+][C@H]1CC[C@H]1c1ccc(OC)cc1 257833665 573586599 /nfs/dbraw/zinc/58/65/99/573586599.db2.gz KBDRKUVQGBMGJH-RYUDHWBXSA-N 1 0 191.274 2.161 10 0 AEAERO CCC[NH2+][C@@H](C)/C=C/c1cc(C)no1 308638747 573586610 /nfs/dbraw/zinc/58/66/10/573586610.db2.gz CADFSYOVIABTTK-CYNONHLPSA-N 1 0 194.278 2.384 10 0 AEAERO C[C@H]([NH3+])[C@@H]1c2ccccc2OC12CC2 107419571 573586638 /nfs/dbraw/zinc/58/66/38/573586638.db2.gz MJNMLNKCAFKPBS-GZMMTYOYSA-N 1 0 189.258 2.042 10 0 AEAERO Cc1cc(N)[nH+]cc1C(C)C 86716453 573586662 /nfs/dbraw/zinc/58/66/62/573586662.db2.gz ZXXVHJVZPPVXAS-UHFFFAOYSA-N 1 0 150.225 2.096 10 0 AEAERO C[C@@H]1CC[C@@H](CCO)[N@@H+]2CCCC[C@@H]12 198335045 573586674 /nfs/dbraw/zinc/58/66/74/573586674.db2.gz WOEMTODBRFOWQX-WOPDTQHZSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)C[C@@H]([NH3+])c1ccc(F)cn1 86705321 573586677 /nfs/dbraw/zinc/58/66/77/573586677.db2.gz KOFIMRSZOSZLAN-SECBINFHSA-N 1 0 182.242 2.267 10 0 AEAERO Cc1[nH]c([C@H](C)[NH3+])nc1C1CCCC1 258806258 573586747 /nfs/dbraw/zinc/58/67/47/573586747.db2.gz XLJHRCJTTNXTJE-ZETCQYMHSA-N 1 0 193.294 2.395 10 0 AEAERO COc1sccc1[C@H]([NH3+])C(C)C 238442027 573586754 /nfs/dbraw/zinc/58/67/54/573586754.db2.gz QRBJSCZBVXEXPR-MRVPVSSYSA-N 1 0 185.292 2.413 10 0 AEAERO COc1ccc([C@@H](F)[C@H]2CC[NH2+]2)cc1 257833672 573586765 /nfs/dbraw/zinc/58/67/65/573586765.db2.gz KBQGARCOAOJZER-GHMZBOCLSA-N 1 0 195.237 2.068 10 0 AEAERO COc1sccc1[C@@H]1CCC[NH2+]1 238441982 573586844 /nfs/dbraw/zinc/58/68/44/573586844.db2.gz LVQDUNVUBMWXAJ-QMMMGPOBSA-N 1 0 183.276 2.181 10 0 AEAERO CCC[NH2+][C@@H](CO)C1(C(C)C)CCC1 686125972 573586808 /nfs/dbraw/zinc/58/68/08/573586808.db2.gz GUNKCMONPYUTLP-NSHDSACASA-N 1 0 199.338 2.173 10 0 AEAERO CCC(C)(C)C[NH2+][C@H](CO)C(C)C 258803603 573586813 /nfs/dbraw/zinc/58/68/13/573586813.db2.gz KEMKKDMUMGSKHJ-SNVBAGLBSA-N 1 0 187.327 2.029 10 0 AEAERO CCCCC[N@@H+]1CCCCN[C@H](C)C1 259519312 573586864 /nfs/dbraw/zinc/58/68/64/573586864.db2.gz VFMJSTRHIBKDOU-GFCCVEGCSA-N 1 0 198.354 2.251 10 0 AEAERO C[C@H]1Cc2ccccc2[C@]12CC[NH2+]C2 107418959 573586908 /nfs/dbraw/zinc/58/69/08/573586908.db2.gz WJSOLANFKHAXJB-GWCFXTLKSA-N 1 0 187.286 2.110 10 0 AEAERO C[C@@H]1Cc2ccccc2[C@@]12CC[NH2+]C2 107418951 573586955 /nfs/dbraw/zinc/58/69/55/573586955.db2.gz WJSOLANFKHAXJB-ZWNOBZJWSA-N 1 0 187.286 2.110 10 0 AEAERO Cc1ccc(N(C)CC[C@H](C)C[NH3+])o1 258805444 573586963 /nfs/dbraw/zinc/58/69/63/573586963.db2.gz DEDCFVXYIOEDEJ-VIFPVBQESA-N 1 0 196.294 2.009 10 0 AEAERO C[NH2+]C[C@H]1c2cscc2C[C@H]1C 107413912 573586964 /nfs/dbraw/zinc/58/69/64/573586964.db2.gz QNSJXLNWLODJJW-VXNVDRBHSA-N 1 0 181.304 2.243 10 0 AEAERO C[C@H]([NH3+])c1ccc(N)c2c1CCCC2 238441879 573586973 /nfs/dbraw/zinc/58/69/73/573586973.db2.gz KNGLDKVKWKJTDF-QMMMGPOBSA-N 1 0 190.290 2.167 10 0 AEAERO C/C=C\C[NH2+][C@H]1COc2ccccc21 308405132 573588144 /nfs/dbraw/zinc/58/81/44/573588144.db2.gz KSZDWNCAUAYQFV-QUCGXOGASA-N 1 0 189.258 2.286 10 0 AEAERO Cc1[nH]c([C@@H](C)[NH3+])nc1C1CCCC1 258806255 573588155 /nfs/dbraw/zinc/58/81/55/573588155.db2.gz XLJHRCJTTNXTJE-SSDOTTSWSA-N 1 0 193.294 2.395 10 0 AEAERO [NH3+]Cc1ccc2c(ccn2C(F)F)c1 144439538 573588160 /nfs/dbraw/zinc/58/81/60/573588160.db2.gz UVWDNCMSIDWOQG-UHFFFAOYSA-N 1 0 196.200 2.495 10 0 AEAERO CC[NH2+]C[C@@H]1CC[C@](C)(CC2CC2)O1 308641008 573590309 /nfs/dbraw/zinc/59/03/09/573590309.db2.gz DBNWJIABHDGEKA-NWDGAFQWSA-N 1 0 197.322 2.334 10 0 AEAERO CCOc1cccc2c1C[C@@H](C)[C@@H]2[NH3+] 86718543 573588128 /nfs/dbraw/zinc/58/81/28/573588128.db2.gz YXIZRDIBTDRIRG-PELKAZGASA-N 1 0 191.274 2.277 10 0 AEAERO COCc1ccc2c(c1)[C@@H]([NH3+])[C@H](C)C2 86718432 573588196 /nfs/dbraw/zinc/58/81/96/573588196.db2.gz YKURQSPUCAZNOD-PELKAZGASA-N 1 0 191.274 2.025 10 0 AEAERO C[NH2+][C@H]1c2ccccc2OCC12CC2 107419611 573588199 /nfs/dbraw/zinc/58/81/99/573588199.db2.gz OBVZZZUQTUVYOG-NSHDSACASA-N 1 0 189.258 2.120 10 0 AEAERO C[NH2+][C@H](C)c1cc2ccc(O)cc2o1 258063433 573588339 /nfs/dbraw/zinc/58/83/39/573588339.db2.gz GKJXGKDCBSCDDW-SSDOTTSWSA-N 1 0 191.230 2.419 10 0 AEAERO CC(C)C[N@H+](C)CC1CCC(O)CC1 258799517 573588347 /nfs/dbraw/zinc/58/83/47/573588347.db2.gz ANKHBEBCPRFSDI-UHFFFAOYSA-N 1 0 199.338 2.125 10 0 AEAERO C[C@@H]1Cc2ccccc2[C@]12CC[NH2+]C2 107418956 573588366 /nfs/dbraw/zinc/58/83/66/573588366.db2.gz WJSOLANFKHAXJB-MFKMUULPSA-N 1 0 187.286 2.110 10 0 AEAERO CCc1cccc2c1C[C@H](C)[C@H]2[NH3+] 86718396 573588378 /nfs/dbraw/zinc/58/83/78/573588378.db2.gz YEOPWCGXVKKQQY-QPUJVOFHSA-N 1 0 175.275 2.441 10 0 AEAERO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)C1CC1 308640237 573588720 /nfs/dbraw/zinc/58/87/20/573588720.db2.gz DNRXHJNYLGWOAL-FOGDFJRCSA-N 1 0 197.322 2.332 10 0 AEAERO CC1(C)CSC[C@H]2CCC[NH2+][C@H]21 107417969 573588721 /nfs/dbraw/zinc/58/87/21/573588721.db2.gz SVQBZJLXBJKQRB-RKDXNWHRSA-N 1 0 185.336 2.128 10 0 AEAERO FC(F)CCC[NH2+]Cc1ccoc1 688725618 573588396 /nfs/dbraw/zinc/58/83/96/573588396.db2.gz HAGOIDOHRWYCKO-UHFFFAOYSA-N 1 0 189.205 2.415 10 0 AEAERO C[C@H]1Cc2c(ccc(F)c2F)[C@@H]1[NH3+] 86718581 573588436 /nfs/dbraw/zinc/58/84/36/573588436.db2.gz ZQLKYBSGLQDPNZ-XUOSJQGZSA-N 1 0 183.201 2.157 10 0 AEAERO c1cc2c(c(C3CC3)c1)C[NH2+]C2 144440500 573588438 /nfs/dbraw/zinc/58/84/38/573588438.db2.gz MKOIHKGHNCBZCP-UHFFFAOYSA-N 1 0 159.232 2.167 10 0 AEAERO FCCCC[NH2+]CCCC(F)F 688725623 573588473 /nfs/dbraw/zinc/58/84/73/573588473.db2.gz HCCXKJFAAFREIP-UHFFFAOYSA-N 1 0 183.217 2.371 10 0 AEAERO C[C@@H](O)c1cccc(CCCC[NH3+])c1 259519345 573588475 /nfs/dbraw/zinc/58/84/75/573588475.db2.gz SLOMTUYAWLCPFP-SNVBAGLBSA-N 1 0 193.290 2.021 10 0 AEAERO Cc1cc(F)cc2c1C[C@@H](C)[C@H]2[NH3+] 86718665 573588725 /nfs/dbraw/zinc/58/87/25/573588725.db2.gz XDGCVJLXEFPLBJ-RDDDGLTNSA-N 1 0 179.238 2.326 10 0 AEAERO Cc1ccc2c(c1)CCC[C@]2(F)C[NH3+] 257833684 573588486 /nfs/dbraw/zinc/58/84/86/573588486.db2.gz KBZGDNMIYQEOCJ-LBPRGKRZSA-N 1 0 193.265 2.455 10 0 AEAERO COCc1cccc2c1C[C@@H](C)[C@@H]2[NH3+] 86718917 573588497 /nfs/dbraw/zinc/58/84/97/573588497.db2.gz RZIHBWNTRSBMJH-PELKAZGASA-N 1 0 191.274 2.025 10 0 AEAERO C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C 86719244 573588502 /nfs/dbraw/zinc/58/85/02/573588502.db2.gz XMAGBJYZGPKJCS-HQJQHLMTSA-N 1 0 179.238 2.278 10 0 AEAERO c1ccc(C2([C@H]3CC[NH2+]C3)CC2)cc1 107418938 573588521 /nfs/dbraw/zinc/58/85/21/573588521.db2.gz JPBXTYACWWQLQM-LBPRGKRZSA-N 1 0 187.286 2.328 10 0 AEAERO C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C 86719246 573588525 /nfs/dbraw/zinc/58/85/25/573588525.db2.gz XMAGBJYZGPKJCS-CPCISQLKSA-N 1 0 179.238 2.278 10 0 AEAERO C1C[NH2+]C[C@@H](C[C@@H]2CCSC2)C1 107417907 573588549 /nfs/dbraw/zinc/58/85/49/573588549.db2.gz HFFCXIABIUBZPC-ZJUUUORDSA-N 1 0 185.336 2.129 10 0 AEAERO Cc1cc(F)cc2c1C[C@H](C)[C@@H]2[NH3+] 86718660 573588558 /nfs/dbraw/zinc/58/85/58/573588558.db2.gz XDGCVJLXEFPLBJ-CPCISQLKSA-N 1 0 179.238 2.326 10 0 AEAERO C[NH2+][C@H]1c2cccc(C)c2C[C@H]1C 86719186 573588567 /nfs/dbraw/zinc/58/85/67/573588567.db2.gz URYRJLVSKCCROT-BXKDBHETSA-N 1 0 175.275 2.448 10 0 AEAERO CC1(C)CSC[C@@H]2CCC[NH2+][C@@H]21 107417966 573588569 /nfs/dbraw/zinc/58/85/69/573588569.db2.gz SVQBZJLXBJKQRB-IUCAKERBSA-N 1 0 185.336 2.128 10 0 AEAERO COCc1cccc2c1C[C@H](C)[C@@H]2[NH3+] 86718919 573588597 /nfs/dbraw/zinc/58/85/97/573588597.db2.gz RZIHBWNTRSBMJH-UFBFGSQYSA-N 1 0 191.274 2.025 10 0 AEAERO C[C@H]1Cc2c(ccc(F)c2F)[C@H]1[NH3+] 86718584 573588614 /nfs/dbraw/zinc/58/86/14/573588614.db2.gz ZQLKYBSGLQDPNZ-RRAGMBSWSA-N 1 0 183.201 2.157 10 0 AEAERO Cc1ccc2c(c1C)C[C@@H](C)[C@@H]2[NH3+] 86718438 573588629 /nfs/dbraw/zinc/58/86/29/573588629.db2.gz JROWNFIRHKCBHB-PELKAZGASA-N 1 0 175.275 2.495 10 0 AEAERO CCOc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)C2 86718868 573588639 /nfs/dbraw/zinc/58/86/39/573588639.db2.gz RIRSZSURGIFTTN-QPUJVOFHSA-N 1 0 191.274 2.277 10 0 AEAERO CC1(C)CSC[C@@H]2CCC[NH2+][C@H]21 107417975 573588662 /nfs/dbraw/zinc/58/86/62/573588662.db2.gz SVQBZJLXBJKQRB-DTWKUNHWSA-N 1 0 185.336 2.128 10 0 AEAERO Cc1ccc2[nH]c(C3([NH3+])CC3)cc2c1 82392110 573589717 /nfs/dbraw/zinc/58/97/17/573589717.db2.gz BHDBXWIWWCMFSS-UHFFFAOYSA-N 1 0 186.258 2.424 10 0 AEAERO C[C@@H]1[C@@H]([NH3+])c2cccc3c2[C@@H]1CCO3 86718811 573590274 /nfs/dbraw/zinc/59/02/74/573590274.db2.gz XRTUZGWSFDPNOF-JOAULVNJSA-N 1 0 189.258 2.202 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1CNc2cccc(Cl)c21 258063913 573589916 /nfs/dbraw/zinc/58/99/16/573589916.db2.gz LWPTZVCVNVORKS-RQJHMYQMSA-N 1 0 196.681 2.196 10 0 AEAERO C[C@H]1Sc2cc(F)ccc2[C@H]1[NH3+] 107415657 573589442 /nfs/dbraw/zinc/58/94/42/573589442.db2.gz AYIYUPFIEZFXGM-ANLVUFKYSA-N 1 0 183.251 2.320 10 0 AEAERO C[C@H]1Cc2c(F)ccc(F)c2[C@@H]1[NH3+] 86718363 573589456 /nfs/dbraw/zinc/58/94/56/573589456.db2.gz FALNIXYGKVKFCC-XUOSJQGZSA-N 1 0 183.201 2.157 10 0 AEAERO C[C@@H](N)[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 83680408 573589466 /nfs/dbraw/zinc/58/94/66/573589466.db2.gz SPDMTBSUXLELGF-GHMZBOCLSA-N 1 0 198.354 2.234 10 0 AEAERO C[NH2+]CC1=CCc2cccc(Cl)c21 257833739 573589496 /nfs/dbraw/zinc/58/94/96/573589496.db2.gz KDWWZDJLXMSGNW-UHFFFAOYSA-N 1 0 193.677 2.499 10 0 AEAERO C[C@H]1Cc2c(F)ccc(F)c2[C@H]1[NH3+] 86718366 573589506 /nfs/dbraw/zinc/58/95/06/573589506.db2.gz FALNIXYGKVKFCC-RRAGMBSWSA-N 1 0 183.201 2.157 10 0 AEAERO C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1C 86719125 573589519 /nfs/dbraw/zinc/58/95/19/573589519.db2.gz SFLXVBFNFKNFMQ-PELKAZGASA-N 1 0 191.274 2.148 10 0 AEAERO COCc1ccc2c(c1)[C@H]([NH3+])[C@H](C)C2 86718430 573589592 /nfs/dbraw/zinc/58/95/92/573589592.db2.gz YKURQSPUCAZNOD-PRHODGIISA-N 1 0 191.274 2.025 10 0 AEAERO [NH3+]C1CCC(Cc2ccc[nH]2)CC1 259117091 573589599 /nfs/dbraw/zinc/58/95/99/573589599.db2.gz LIDURRREFKDMAH-UHFFFAOYSA-N 1 0 178.279 2.075 10 0 AEAERO C[NH2+][C@@H]1c2cccc(C)c2C[C@@H]1C 86719181 573589600 /nfs/dbraw/zinc/58/96/00/573589600.db2.gz URYRJLVSKCCROT-CABZTGNLSA-N 1 0 175.275 2.448 10 0 AEAERO Cc1ccc(Cl)cc1C(=O)CC[NH3+] 75484358 573589636 /nfs/dbraw/zinc/58/96/36/573589636.db2.gz HESAMMQTVRHQDT-UHFFFAOYSA-N 1 0 197.665 2.180 10 0 AEAERO CCc1cccc2c1C[C@@H](C)[C@@H]2[NH3+] 86718395 573589641 /nfs/dbraw/zinc/58/96/41/573589641.db2.gz YEOPWCGXVKKQQY-PELKAZGASA-N 1 0 175.275 2.441 10 0 AEAERO Cc1ccc([C@H]2C[C@@H](C)C[NH2+]2)o1 238443219 573589645 /nfs/dbraw/zinc/58/96/45/573589645.db2.gz CZXAWDQYZHLMTJ-VXNVDRBHSA-N 1 0 165.236 2.259 10 0 AEAERO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1COC1 717502141 573589649 /nfs/dbraw/zinc/58/96/49/573589649.db2.gz MJLLHUXSPSCAID-ONGXEEELSA-N 1 0 197.322 2.190 10 0 AEAERO Cc1cc(C)c2c(c1)C[C@H](C)[C@@H]2[NH3+] 86718508 573589654 /nfs/dbraw/zinc/58/96/54/573589654.db2.gz NNPVBEUKPGAFTQ-CABZTGNLSA-N 1 0 175.275 2.495 10 0 AEAERO Cc1ccc2c(c1)CCC[C@@]2(F)C[NH3+] 257833682 573589665 /nfs/dbraw/zinc/58/96/65/573589665.db2.gz KBZGDNMIYQEOCJ-GFCCVEGCSA-N 1 0 193.265 2.455 10 0 AEAERO C[NH2+][C@@H]1c2ccc(F)c(F)c2C[C@H]1C 86719151 573589668 /nfs/dbraw/zinc/58/96/68/573589668.db2.gz SYHGVSJSHHCMDB-KBUNVGBDSA-N 1 0 197.228 2.418 10 0 AEAERO C[C@@H]([C@@H](C)N)[N@@H+]1CCCC(C)(C)CC1 83680412 573589691 /nfs/dbraw/zinc/58/96/91/573589691.db2.gz SPDMTBSUXLELGF-MNOVXSKESA-N 1 0 198.354 2.234 10 0 AEAERO CC[NH2+]C[C@H]1CC[C@](C)(CC2CC2)O1 308641210 573589734 /nfs/dbraw/zinc/58/97/34/573589734.db2.gz DBNWJIABHDGEKA-VXGBXAGGSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@H]1c2cc(F)cc(F)c2C[C@H]1C 86719352 573589759 /nfs/dbraw/zinc/58/97/59/573589759.db2.gz ONOYSSAYDCJWRU-KSBSHMNSSA-N 1 0 197.228 2.418 10 0 AEAERO C[NH2+][C@H]1c2cccc(OC)c2C[C@H]1C 86719276 573589768 /nfs/dbraw/zinc/58/97/68/573589768.db2.gz LITWAISNKFLMMH-PRHODGIISA-N 1 0 191.274 2.148 10 0 AEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](C)[C@@H]2C 86718696 573589775 /nfs/dbraw/zinc/58/97/75/573589775.db2.gz OCXKUCHRMIEUQH-JOAULVNJSA-N 1 0 191.274 2.448 10 0 AEAERO Cc1ccc2c(c1C)C[C@@H](C)[C@H]2[NH3+] 86718442 573589788 /nfs/dbraw/zinc/58/97/88/573589788.db2.gz JROWNFIRHKCBHB-PRHODGIISA-N 1 0 175.275 2.495 10 0 AEAERO C[C@@H]([NH3+])[C@H]1CNc2cccc(Cl)c21 258063912 573589829 /nfs/dbraw/zinc/58/98/29/573589829.db2.gz LWPTZVCVNVORKS-RNFRBKRXSA-N 1 0 196.681 2.196 10 0 AEAERO CC1(C)C[N@@H+](C2CCCC2)CCC1=O 259117325 573589838 /nfs/dbraw/zinc/58/98/38/573589838.db2.gz BTIRINJIHGWTHM-UHFFFAOYSA-N 1 0 195.306 2.230 10 0 AEAERO COCc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)C2 86718435 573589844 /nfs/dbraw/zinc/58/98/44/573589844.db2.gz YKURQSPUCAZNOD-UFBFGSQYSA-N 1 0 191.274 2.025 10 0 AEAERO CO[C@@H]1CCC[C@H]1[C@H](C[NH3+])CC(C)C 308640986 573589866 /nfs/dbraw/zinc/58/98/66/573589866.db2.gz DBFRZZZAVFYRGD-SDDRHHMPSA-N 1 0 199.338 2.423 10 0 AEAERO Cc1cc(F)ccc1SC[NH3+] 259116959 573589881 /nfs/dbraw/zinc/58/98/81/573589881.db2.gz BMCFFMMAURQTAP-UHFFFAOYSA-N 1 0 171.240 2.142 10 0 AEAERO COCc1cccc2c1C[C@@H](C)[C@H]2[NH3+] 86718913 573589946 /nfs/dbraw/zinc/58/99/46/573589946.db2.gz RZIHBWNTRSBMJH-PRHODGIISA-N 1 0 191.274 2.025 10 0 AEAERO C[NH2+][C@@H]1c2cccc(F)c2C[C@@H]1C 86719409 573589960 /nfs/dbraw/zinc/58/99/60/573589960.db2.gz FQTGELCKQUKXSE-CPCISQLKSA-N 1 0 179.238 2.278 10 0 AEAERO COc1cccc2c1[C@H](C)[C@@H](C)[C@H]2[NH3+] 86718676 573589977 /nfs/dbraw/zinc/58/99/77/573589977.db2.gz TWEVNLYGVDEFJD-DNSOKLHBSA-N 1 0 191.274 2.448 10 0 AEAERO Cc1cccc2c1[C@H](C[C@H](C)[NH3+])CN2 258063987 573589981 /nfs/dbraw/zinc/58/99/81/573589981.db2.gz LYVVXGZYHJSNFG-VHSXEESVSA-N 1 0 190.290 2.241 10 0 AEAERO Cc1ccc(OCCC[NH3+])c(C)c1 11569597 573590001 /nfs/dbraw/zinc/59/00/01/573590001.db2.gz IENJSIDXLXEFPK-UHFFFAOYSA-N 1 0 179.263 2.031 10 0 AEAERO Cc1ccc(C)c2c1C[C@H](C)[C@@H]2[NH3+] 86718879 573590006 /nfs/dbraw/zinc/59/00/06/573590006.db2.gz ATYKIDOCTRMKBP-CABZTGNLSA-N 1 0 175.275 2.495 10 0 AEAERO C[C@@H]1[C@@H]([NH3+])c2cccc3c2[C@@H]1CC3 86718707 573590017 /nfs/dbraw/zinc/59/00/17/573590017.db2.gz SWAXMCVABHQTOD-LPBBDHJYSA-N 1 0 173.259 2.366 10 0 AEAERO Cc1nc(C)c(CC(C)(C)C[NH3+])s1 259520617 573590038 /nfs/dbraw/zinc/59/00/38/573590038.db2.gz YIAPGOGMZHTNGK-UHFFFAOYSA-N 1 0 198.335 2.287 10 0 AEAERO C[NH2+][C@H]1c2cccc(F)c2C[C@@H]1C 86719406 573590052 /nfs/dbraw/zinc/59/00/52/573590052.db2.gz FQTGELCKQUKXSE-WRWORJQWSA-N 1 0 179.238 2.278 10 0 AEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](C)[C@H]2C 86718698 573590060 /nfs/dbraw/zinc/59/00/60/573590060.db2.gz OCXKUCHRMIEUQH-DNSOKLHBSA-N 1 0 191.274 2.448 10 0 AEAERO C[NH2+][C@@H]1c2c(F)ccc(F)c2C[C@H]1C 86718931 573590077 /nfs/dbraw/zinc/59/00/77/573590077.db2.gz DNGFGJHUMBPWGY-KBUNVGBDSA-N 1 0 197.228 2.418 10 0 AEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1COC1 717502139 573590297 /nfs/dbraw/zinc/59/02/97/573590297.db2.gz MJLLHUXSPSCAID-KOLCDFICSA-N 1 0 197.322 2.190 10 0 AEAERO C[C@H]1Cc2c(F)cc(F)cc2[C@@H]1[NH3+] 86718844 573590125 /nfs/dbraw/zinc/59/01/25/573590125.db2.gz FOKKLKMBGCRABZ-XUOSJQGZSA-N 1 0 183.201 2.157 10 0 AEAERO C[C@H]1Cc2c(F)cc(F)cc2[C@H]1[NH3+] 86718848 573590150 /nfs/dbraw/zinc/59/01/50/573590150.db2.gz FOKKLKMBGCRABZ-RRAGMBSWSA-N 1 0 183.201 2.157 10 0 AEAERO C[NH2+][C@@H]1c2ccc(F)c(F)c2C[C@@H]1C 86719153 573590155 /nfs/dbraw/zinc/59/01/55/573590155.db2.gz SYHGVSJSHHCMDB-KGFZYKRKSA-N 1 0 197.228 2.418 10 0 AEAERO CO[C@@H]1CCC[C@H]1[C@@H](C[NH3+])CC(C)C 308640982 573590157 /nfs/dbraw/zinc/59/01/57/573590157.db2.gz DBFRZZZAVFYRGD-GRYCIOLGSA-N 1 0 199.338 2.423 10 0 AEAERO CC1(C)C[NH2+][C@@](C)(C(C)(C)C)OC1 258788552 573590184 /nfs/dbraw/zinc/59/01/84/573590184.db2.gz XLWQFADATNJCHX-LLVKDONJSA-N 1 0 185.311 2.395 10 0 AEAERO c1cc2c(cn1)[C@H]1[NH2+]CCC[C@H]1CC2 107419310 573590190 /nfs/dbraw/zinc/59/01/90/573590190.db2.gz VLKCQEMHQOKQMZ-JQWIXIFHSA-N 1 0 188.274 2.069 10 0 AEAERO C[NH2+][C@@H]1c2ccccc2OCC12CC2 107419609 573590224 /nfs/dbraw/zinc/59/02/24/573590224.db2.gz OBVZZZUQTUVYOG-LLVKDONJSA-N 1 0 189.258 2.120 10 0 AEAERO CCC[C@@H]([NH2+]C[C@H](C)CCO)C1CC1 126628667 573590255 /nfs/dbraw/zinc/59/02/55/573590255.db2.gz WXGJQMPKYOPMOM-ZYHUDNBSSA-N 1 0 199.338 2.173 10 0 AEAERO C[NH2+]C/C=C\[C@@H](C)C(C)C 75528289 573599109 /nfs/dbraw/zinc/59/91/09/573599109.db2.gz FOYQAKDNGFTIST-SSJHQANKSA-N 1 0 141.258 2.054 10 0 AEAERO C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C 86719239 573591329 /nfs/dbraw/zinc/59/13/29/573591329.db2.gz XMAGBJYZGPKJCS-RDDDGLTNSA-N 1 0 179.238 2.278 10 0 AEAERO C[NH2+]C[C@H](C)N1CCCC(C)(C)CC1 83681166 573591301 /nfs/dbraw/zinc/59/13/01/573591301.db2.gz ZWKFBANXMCMKKG-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO COc1cc(/C=C/[NH+](C)C)ccc1F 238443430 573591303 /nfs/dbraw/zinc/59/13/03/573591303.db2.gz PVKGBJKCATYJRB-VOTSOKGWSA-N 1 0 195.237 2.367 10 0 AEAERO COc1cccc2c1[C@H](C)[C@@H](C)[C@@H]2[NH3+] 86718680 573591004 /nfs/dbraw/zinc/59/10/04/573591004.db2.gz TWEVNLYGVDEFJD-RWYTXXIDSA-N 1 0 191.274 2.448 10 0 AEAERO Cc1cscc1CCC1([NH3+])CC1 257833597 573591022 /nfs/dbraw/zinc/59/10/22/573591022.db2.gz 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1 0 195.237 2.039 10 0 AEAERO COc1ccc2c(c1)S[C@@H](C)[C@@H]2[NH3+] 107430725 573601167 /nfs/dbraw/zinc/60/11/67/573601167.db2.gz VDDRAAFRFAFPNB-WKEGUHRASA-N 1 0 195.287 2.189 10 0 AEAERO CSCC[C@H](C)C[NH2+]C1CC1 130559719 573601195 /nfs/dbraw/zinc/60/11/95/573601195.db2.gz JQLCHLGAULUAME-QMMMGPOBSA-N 1 0 173.325 2.128 10 0 AEAERO C[C@H]1Oc2ccc(F)cc2[C@@H]1CC[NH3+] 107429578 573601236 /nfs/dbraw/zinc/60/12/36/573601236.db2.gz JEZHMEKWXKBVES-VXNVDRBHSA-N 1 0 195.237 2.039 10 0 AEAERO CC(C)([NH3+])[C@H]1CCCc2cccnc21 86735602 573601238 /nfs/dbraw/zinc/60/12/38/573601238.db2.gz OGYDVOXREJTMHF-JTQLQIEISA-N 1 0 190.290 2.239 10 0 AEAERO CC(C)[C@H]([C@@H]1CC[NH2+]C1)C(F)(F)F 107429366 573601244 /nfs/dbraw/zinc/60/12/44/573601244.db2.gz HIVIAMCNAYUIOM-HTQZYQBOSA-N 1 0 195.228 2.430 10 0 AEAERO Cc1cc([C@H]([NH3+])[C@H]2CCOC2)cs1 83716886 573601266 /nfs/dbraw/zinc/60/12/66/573601266.db2.gz STRZFAROEVZDMW-WCBMZHEXSA-N 1 0 197.303 2.093 10 0 AEAERO C[C@@H](F)COc1ccc2c(c1)C[NH2+]C2 258070800 573601279 /nfs/dbraw/zinc/60/12/79/573601279.db2.gz QHQAEQQSHINJSW-MRVPVSSYSA-N 1 0 195.237 2.027 10 0 AEAERO C[NH2+]C[C@@H]1c2ccccc2S[C@H]1C 107426778 573601354 /nfs/dbraw/zinc/60/13/54/573601354.db2.gz JIEWTRNIGXGQCX-WPRPVWTQSA-N 1 0 193.315 2.484 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1CCOc2ccc(F)cc21 107429627 573601388 /nfs/dbraw/zinc/60/13/88/573601388.db2.gz VKCSMKZTZQMTBV-APPZFPTMSA-N 1 0 195.237 2.039 10 0 AEAERO C[C@@H]([NH3+])CC[C@H]1CCc2cccnc21 86738122 573601389 /nfs/dbraw/zinc/60/13/89/573601389.db2.gz ULGCLLFSFLPVFS-KOLCDFICSA-N 1 0 190.290 2.239 10 0 AEAERO CC[C@](C)([NH3+])[C@H]1CCc2cccnc21 86735610 573601415 /nfs/dbraw/zinc/60/14/15/573601415.db2.gz QNFMGSNZAZKYRV-JQWIXIFHSA-N 1 0 190.290 2.239 10 0 AEAERO C[C@@H](Cc1ccncc1)[NH2+]C(C)(C)C 308646829 573601434 /nfs/dbraw/zinc/60/14/34/573601434.db2.gz ICQWEOOKMZFRMQ-JTQLQIEISA-N 1 0 192.306 2.401 10 0 AEAERO CC(C)[C@H]([C@H]1CC[NH2+]C1)C(F)(F)F 107429374 573601472 /nfs/dbraw/zinc/60/14/72/573601472.db2.gz HIVIAMCNAYUIOM-JGVFFNPUSA-N 1 0 195.228 2.430 10 0 AEAERO C[NH2+]Cc1nc(C)c(CC(C)C)s1 258813854 573601473 /nfs/dbraw/zinc/60/14/73/573601473.db2.gz OEAXVCIRXJOXDD-UHFFFAOYSA-N 1 0 198.335 2.369 10 0 AEAERO Cc1cc([C@H](C)[C@@H]2CCC[NH2+]C2)no1 107428144 573601502 /nfs/dbraw/zinc/60/15/02/573601502.db2.gz AJHUJBRAQFARLR-NXEZZACHSA-N 1 0 194.278 2.086 10 0 AEAERO CCC[C@@H]([NH3+])[C@@H]1CCc2cccnc21 86736578 573601706 /nfs/dbraw/zinc/60/17/06/573601706.db2.gz DAQUWFQFXLKXAY-WDEREUQCSA-N 1 0 190.290 2.239 10 0 AEAERO C[C@H]1Oc2ccc(F)cc2[C@H]1CC[NH3+] 107429572 573601580 /nfs/dbraw/zinc/60/15/80/573601580.db2.gz JEZHMEKWXKBVES-APPZFPTMSA-N 1 0 195.237 2.039 10 0 AEAERO CC[NH2+][C@H](C)[C@@H]1CCc2cccnc21 86736743 573601609 /nfs/dbraw/zinc/60/16/09/573601609.db2.gz KJPXHAQWYRWZSE-KOLCDFICSA-N 1 0 190.290 2.109 10 0 AEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCOC2)cs1 83716882 573601637 /nfs/dbraw/zinc/60/16/37/573601637.db2.gz STRZFAROEVZDMW-PSASIEDQSA-N 1 0 197.303 2.093 10 0 AEAERO CC[C@@H]([NH3+])[C@@H]1CCCc2cccnc21 86736532 573601664 /nfs/dbraw/zinc/60/16/64/573601664.db2.gz GTCLXSPLROIMNQ-WDEREUQCSA-N 1 0 190.290 2.239 10 0 AEAERO CCC[NH2+][C@@H](CC)COCC(F)F 130570919 573601674 /nfs/dbraw/zinc/60/16/74/573601674.db2.gz PYSJUYYHLSOXPU-QMMMGPOBSA-N 1 0 195.253 2.046 10 0 AEAERO C[C@H](O)c1cccc([C@H](C)CC[NH3+])c1 259527811 573603792 /nfs/dbraw/zinc/60/37/92/573603792.db2.gz REQVRGAYYFTYMV-ZJUUUORDSA-N 1 0 193.290 2.192 10 0 AEAERO C[NH2+]C/C=C\C1CCCCC1 75540505 573603801 /nfs/dbraw/zinc/60/38/01/573603801.db2.gz GEJZBXWQBLXWBG-YVMONPNESA-N 1 0 153.269 2.342 10 0 AEAERO C[NH2+][C@H](CC1CCCC1)[C@H]1CCOC1 83717019 573602667 /nfs/dbraw/zinc/60/26/67/573602667.db2.gz VFROLRPPSFOFNZ-NWDGAFQWSA-N 1 0 197.322 2.191 10 0 AEAERO CC(C)(C)C1CCC([C@@H]([NH3+])CO)CC1 107435465 573602674 /nfs/dbraw/zinc/60/26/74/573602674.db2.gz RBIIXCNBQZLITD-ILDUYXDCSA-N 1 0 199.338 2.159 10 0 AEAERO C[C@@H](C[NH3+])C1=CCc2ccccc21 257836255 573602677 /nfs/dbraw/zinc/60/26/77/573602677.db2.gz 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573602978 /nfs/dbraw/zinc/60/29/78/573602978.db2.gz JZOQDVKKIGRTND-UHFFFAOYSA-N 1 0 195.253 2.033 10 0 AEAERO CC(C)[C@H]([NH3+])[C@@H]1CCc2cccnc21 86736522 573603009 /nfs/dbraw/zinc/60/30/09/573603009.db2.gz QALQEFREWHGTCK-QWRGUYRKSA-N 1 0 190.290 2.095 10 0 AEAERO CC(C)(C)C1([C@H]2CCC[NH2+]C2)COC1 259140532 573603031 /nfs/dbraw/zinc/60/30/31/573603031.db2.gz HVBWEVJLMJSWJK-JTQLQIEISA-N 1 0 197.322 2.049 10 0 AEAERO C[C@H]1Sc2c(F)cccc2[C@H]1C[NH3+] 107433324 573603057 /nfs/dbraw/zinc/60/30/57/573603057.db2.gz WQDZBPZEDJDLNN-SVRRBLITSA-N 1 0 197.278 2.362 10 0 AEAERO CC[C@H]([NH3+])[C@@H]1CCCc2cccnc21 86736531 573603064 /nfs/dbraw/zinc/60/30/64/573603064.db2.gz GTCLXSPLROIMNQ-QWRGUYRKSA-N 1 0 190.290 2.239 10 0 AEAERO C[C@@H]1C=C[C@@H](C(C)(C)C)[NH2+]C1 75540589 573603066 /nfs/dbraw/zinc/60/30/66/573603066.db2.gz JEFJSJDMPJCIKM-BDAKNGLRSA-N 1 0 153.269 2.197 10 0 AEAERO CCCc1nc([C@H]2CCC[NH2+]2)[nH]c1C 258817804 573603069 /nfs/dbraw/zinc/60/30/69/573603069.db2.gz 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AEAERO CCCC(=[NH2+])N[C@H]1CCCSC1 122076704 573696035 /nfs/dbraw/zinc/69/60/35/573696035.db2.gz FZTMKCDEUKHBHG-QMMMGPOBSA-N 1 0 186.324 2.249 10 0 AEAERO C[C@@H]1[NH2+]C[C@@H]1c1ccc(Cl)cc1 258511200 573700008 /nfs/dbraw/zinc/70/00/08/573700008.db2.gz DFBOSBPOMGOMMR-XVKPBYJWSA-N 1 0 181.666 2.415 10 0 AEAERO COC[C@H]1CC[C@H](C2CCCCC2)[NH2+]1 257848019 573700741 /nfs/dbraw/zinc/70/07/41/573700741.db2.gz OBPHYCJNMBPERE-VXGBXAGGSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H](C[NH2+]C1CCC1)c1ccncc1 308684293 573700746 /nfs/dbraw/zinc/70/07/46/573700746.db2.gz YTFNTJDJPXWJSH-SNVBAGLBSA-N 1 0 190.290 2.327 10 0 AEAERO C[C@@H]1CC[C@H]1[NH2+]C(C)(C)C(C)(C)CO 308682969 573700832 /nfs/dbraw/zinc/70/08/32/573700832.db2.gz YGQKMZZLIQACSW-NXEZZACHSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@H]1[NH2+]C[C@@H]1c1ccc(Cl)cc1 258511197 573700770 /nfs/dbraw/zinc/70/07/70/573700770.db2.gz DFBOSBPOMGOMMR-XCBNKYQSSA-N 1 0 181.666 2.415 10 0 AEAERO C=Cc1ccc2c(c1)C[NH2+][C@@H](C)C2 238482975 573700788 /nfs/dbraw/zinc/70/07/88/573700788.db2.gz DGFLBKHCMXURJB-VIFPVBQESA-N 1 0 173.259 2.364 10 0 AEAERO C[NH2+][C@H](C)c1onc2ccc(C)cc12 257848064 573700794 /nfs/dbraw/zinc/70/07/94/573700794.db2.gz OCZJLVOHNRKAAO-MRVPVSSYSA-N 1 0 190.246 2.417 10 0 AEAERO CC[C@@H]([NH3+])[C@@H]1CC(C)(C)OC1(C)C 86928341 573700803 /nfs/dbraw/zinc/70/08/03/573700803.db2.gz ZVJVHRPLGBIRMZ-DTWKUNHWSA-N 1 0 185.311 2.317 10 0 AEAERO C[C@@H](c1ccccc1)[C@@H]1[NH2+]CCCO1 238482151 573700844 /nfs/dbraw/zinc/70/08/44/573700844.db2.gz LGVNIXNMKVVHJG-CMPLNLGQSA-N 1 0 191.274 2.126 10 0 AEAERO [NH3+]CC[C@@](F)(C1CCC1)C(F)(F)F 257848827 573700858 /nfs/dbraw/zinc/70/08/58/573700858.db2.gz DKEPDEWXWPLPEA-SSDOTTSWSA-N 1 0 199.191 2.406 10 0 AEAERO CC(C)[C@@H](CO)C[NH2+][C@H](C)C1(C)CC1 308685606 573700865 /nfs/dbraw/zinc/70/08/65/573700865.db2.gz ZIGNXJWOJWPMTI-GHMZBOCLSA-N 1 0 199.338 2.029 10 0 AEAERO COCCCC[C@H]([NH3+])CC1CCC1 393551193 573699212 /nfs/dbraw/zinc/69/92/12/573699212.db2.gz AMXIVMXKOYFABT-NSHDSACASA-N 1 0 185.311 2.321 10 0 AEAERO Cc1[nH]c2cc(F)cc(F)c2c1C[NH3+] 238482866 573699243 /nfs/dbraw/zinc/69/92/43/573699243.db2.gz JZHVNGGSYAQCRE-UHFFFAOYSA-N 1 0 196.200 2.213 10 0 AEAERO Cc1cc(C[NH3+])c(C(F)F)nc1C 238482625 573699276 /nfs/dbraw/zinc/69/92/76/573699276.db2.gz SNUKSPAXNXXYSD-UHFFFAOYSA-N 1 0 186.205 2.095 10 0 AEAERO CC(C)c1csc(CC2C[NH2+]C2)n1 257848062 573699281 /nfs/dbraw/zinc/69/92/81/573699281.db2.gz OCZHKNCCGIZGCX-UHFFFAOYSA-N 1 0 196.319 2.028 10 0 AEAERO [NH3+]Cc1ccc(C2=CCSC2)cc1 257848149 573699309 /nfs/dbraw/zinc/69/93/09/573699309.db2.gz OEVSLXXTPKRWHJ-UHFFFAOYSA-N 1 0 191.299 2.276 10 0 AEAERO CSc1ccc(CC2([NH3+])CC2)cc1 259168410 573699312 /nfs/dbraw/zinc/69/93/12/573699312.db2.gz DUSDIHOEBNAIRM-UHFFFAOYSA-N 1 0 193.315 2.442 10 0 AEAERO c1ccc2c(C3C[NH2+]C3)occ2c1 237994687 573699343 /nfs/dbraw/zinc/69/93/43/573699343.db2.gz PSFSGDCMVAYRNL-UHFFFAOYSA-N 1 0 173.215 2.120 10 0 AEAERO CC1(C)C[C@H]([C@@H]2CC[NH2+]C2)C(C)(C)O1 86928733 573699353 /nfs/dbraw/zinc/69/93/53/573699353.db2.gz NIVXLYTXMBLPAX-NXEZZACHSA-N 1 0 197.322 2.190 10 0 AEAERO C[NH2+]C[C@](C)(F)c1ccccc1C 257848430 573699373 /nfs/dbraw/zinc/69/93/73/573699373.db2.gz QYSZWJCQMPUSLM-NSHDSACASA-N 1 0 181.254 2.399 10 0 AEAERO CC[C@H](C)[N@@H+]1CCC(=O)C(C)(C)C1 259166242 573699428 /nfs/dbraw/zinc/69/94/28/573699428.db2.gz GKGWIULZXHOYCZ-VIFPVBQESA-N 1 0 183.295 2.086 10 0 AEAERO C/C=C/C[NH2+]Cc1sc(C)nc1C 308425288 573699447 /nfs/dbraw/zinc/69/94/47/573699447.db2.gz WFBIAPMEKXJMMI-SNAWJCMRSA-N 1 0 196.319 2.426 10 0 AEAERO Cc1cc(C[NH3+])c(C(F)F)c(C)n1 238482329 573699501 /nfs/dbraw/zinc/69/95/01/573699501.db2.gz HGNXCWODUGIJOC-UHFFFAOYSA-N 1 0 186.205 2.095 10 0 AEAERO c1csc(NCC[C@@H]2CCC[NH2+]2)c1 259167702 573699618 /nfs/dbraw/zinc/69/96/18/573699618.db2.gz YOLNEFBNTOVAHO-VIFPVBQESA-N 1 0 196.319 2.302 10 0 AEAERO Cc1cc2cc(C3C[NH2+]C3)ccc2[nH]1 259166016 573699622 /nfs/dbraw/zinc/69/96/22/573699622.db2.gz KNQDKZMJJJLBQL-UHFFFAOYSA-N 1 0 186.258 2.163 10 0 AEAERO CC1(C)C[C@]2(CCC[NH2+]C2)C(C)(C)O1 86928012 573699625 /nfs/dbraw/zinc/69/96/25/573699625.db2.gz RTBLFMPNCNMVNT-LBPRGKRZSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1C[C@H](Cc2ccco2)CC[NH2+]1 258414992 573699642 /nfs/dbraw/zinc/69/96/42/573699642.db2.gz CFKKDRLVGKDFDQ-VHSXEESVSA-N 1 0 179.263 2.210 10 0 AEAERO CSCC[C@H](C)[N@H+](C)C1CC1 393588971 573699702 /nfs/dbraw/zinc/69/97/02/573699702.db2.gz NGTTXKVJMQFGJJ-QMMMGPOBSA-N 1 0 173.325 2.222 10 0 AEAERO Cc1cc(C[NH3+])c(C)nc1C(F)F 238483034 573699739 /nfs/dbraw/zinc/69/97/39/573699739.db2.gz NAIAZGJXOLHVBI-UHFFFAOYSA-N 1 0 186.205 2.095 10 0 AEAERO C[C@H]1CC[C@H]1[NH2+]C(C)(C)C(C)(C)CO 308682975 573699775 /nfs/dbraw/zinc/69/97/75/573699775.db2.gz YGQKMZZLIQACSW-VHSXEESVSA-N 1 0 199.338 2.172 10 0 AEAERO CC(C)OC[C@]1(C[NH3+])CC[C@H](C)C1 393551289 573699803 /nfs/dbraw/zinc/69/98/03/573699803.db2.gz AXCAUYIXSJKXOH-WDEREUQCSA-N 1 0 185.311 2.177 10 0 AEAERO CC(C)OC[C@]1(C[NH3+])CC[C@@H](C)C1 393551283 573699812 /nfs/dbraw/zinc/69/98/12/573699812.db2.gz AXCAUYIXSJKXOH-GHMZBOCLSA-N 1 0 185.311 2.177 10 0 AEAERO CC(C)OC[C@@]1(C[NH3+])CC[C@H](C)C1 393551287 573699822 /nfs/dbraw/zinc/69/98/22/573699822.db2.gz AXCAUYIXSJKXOH-QWRGUYRKSA-N 1 0 185.311 2.177 10 0 AEAERO Cc1coc([C@H]([NH3+])COCC2CC2)c1 716108863 573699829 /nfs/dbraw/zinc/69/98/29/573699829.db2.gz HCUYHOCWGIIVMD-SNVBAGLBSA-N 1 0 195.262 2.014 10 0 AEAERO Cc1cncc(C[NH2+]C(C)(C)C)c1 83891987 573699880 /nfs/dbraw/zinc/69/98/80/573699880.db2.gz WVFWCOCRNYCVFB-UHFFFAOYSA-N 1 0 178.279 2.278 10 0 AEAERO C[NH2+][C@@H](C)[C@H](F)Cc1cccc(C)c1 257848984 573699886 /nfs/dbraw/zinc/69/98/86/573699886.db2.gz OILWSURJMLSUCR-CMPLNLGQSA-N 1 0 195.281 2.484 10 0 AEAERO CC1(C)C/C(=C\CC[NH3+])C(C)(C)O1 86928655 573699948 /nfs/dbraw/zinc/69/99/48/573699948.db2.gz HEGRVZJFEHNIAK-RMKNXTFCSA-N 1 0 183.295 2.239 10 0 AEAERO C(C[NH2+]CCC1CC1)C[C@H]1CCCO1 83894471 573699986 /nfs/dbraw/zinc/69/99/86/573699986.db2.gz LKCGKYMRJNQDCI-LBPRGKRZSA-N 1 0 197.322 2.335 10 0 AEAERO COC[C@@H]1CC[C@H](C2CCCCC2)[NH2+]1 257848017 573700046 /nfs/dbraw/zinc/70/00/46/573700046.db2.gz OBPHYCJNMBPERE-NWDGAFQWSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1C[C@H]1[NH2+]Cc1coc(C2CC2)n1 308686359 573700048 /nfs/dbraw/zinc/70/00/48/573700048.db2.gz ZQKUICJIDNHUMJ-OIBJUYFYSA-N 1 0 192.262 2.050 10 0 AEAERO C[C@H]1C[NH+]=C(NCCC2CC2)SC1 83911722 573700187 /nfs/dbraw/zinc/70/01/87/573700187.db2.gz MSANKKROXGNNQN-QMMMGPOBSA-N 1 0 198.335 2.115 10 0 AEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1coc(C2CC2)n1 308686360 573700192 /nfs/dbraw/zinc/70/01/92/573700192.db2.gz ZQKUICJIDNHUMJ-XCBNKYQSSA-N 1 0 192.262 2.050 10 0 AEAERO c1csc(NCC[C@H]2CCC[NH2+]2)c1 259167698 573700236 /nfs/dbraw/zinc/70/02/36/573700236.db2.gz YOLNEFBNTOVAHO-SECBINFHSA-N 1 0 196.319 2.302 10 0 AEAERO C[C@@H]1C[C@H]1[NH2+]Cc1coc(C2CC2)n1 308686358 573700268 /nfs/dbraw/zinc/70/02/68/573700268.db2.gz ZQKUICJIDNHUMJ-GMSGAONNSA-N 1 0 192.262 2.050 10 0 AEAERO COC[C@H]1CC[C@@H](C2CCCCC2)[NH2+]1 257848016 573700292 /nfs/dbraw/zinc/70/02/92/573700292.db2.gz OBPHYCJNMBPERE-NEPJUHHUSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@H](C)[C@H](F)Cc1cccc(C)c1 257848987 573700302 /nfs/dbraw/zinc/70/03/02/573700302.db2.gz OILWSURJMLSUCR-ZYHUDNBSSA-N 1 0 195.281 2.484 10 0 AEAERO C[NH2+][C@@H](C)c1onc2ccc(C)cc12 257848066 573700318 /nfs/dbraw/zinc/70/03/18/573700318.db2.gz OCZJLVOHNRKAAO-QMMMGPOBSA-N 1 0 190.246 2.417 10 0 AEAERO C[C@H]1CCC[C@H](CC2CCOCC2)[NH2+]1 235639736 573700356 /nfs/dbraw/zinc/70/03/56/573700356.db2.gz APYUUMCEHHTHDS-CMPLNLGQSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@@H](O)c1cc(C(C)C)ccc1C 259166405 573700403 /nfs/dbraw/zinc/70/04/03/573700403.db2.gz DBPLKFLVVCOMRC-LBPRGKRZSA-N 1 0 193.290 2.329 10 0 AEAERO C[NH2+]C[C@@H]1C[C@@]12CC(C)(C)OC2(C)C 86928593 573700408 /nfs/dbraw/zinc/70/04/08/573700408.db2.gz CIJDPMOLHSNZMO-JOYOIKCWSA-N 1 0 197.322 2.190 10 0 AEAERO C[C@H]1C[C@@H]1[NH2+]Cc1coc(C2CC2)n1 308686361 573700500 /nfs/dbraw/zinc/70/05/00/573700500.db2.gz ZQKUICJIDNHUMJ-XVKPBYJWSA-N 1 0 192.262 2.050 10 0 AEAERO CCN(c1ccc(N)c(C)[nH+]1)C(C)C 122119321 573700517 /nfs/dbraw/zinc/70/05/17/573700517.db2.gz KBSNUYQUQHMSFO-UHFFFAOYSA-N 1 0 193.294 2.207 10 0 AEAERO CC(C)(C1=CC[NH2+]CC1)C(F)F 258099841 573700534 /nfs/dbraw/zinc/70/05/34/573700534.db2.gz XRXVJDQKOVEDAF-UHFFFAOYSA-N 1 0 175.222 2.197 10 0 AEAERO Fc1ccc([C@H]2C[NH2+]C3(CC3)C2)cc1 257849002 573700560 /nfs/dbraw/zinc/70/05/60/573700560.db2.gz OIZDOLFDRRXCMX-SNVBAGLBSA-N 1 0 191.249 2.435 10 0 AEAERO C[NH2+][C@H](C)[C@@H](F)Cc1cccc(C)c1 257848986 573700587 /nfs/dbraw/zinc/70/05/87/573700587.db2.gz OILWSURJMLSUCR-PWSUYJOCSA-N 1 0 195.281 2.484 10 0 AEAERO CC[NH2+]C[C@@H]1CC(C)(C)OC1(C)C 86928278 573700630 /nfs/dbraw/zinc/70/06/30/573700630.db2.gz LXUSYXFPZXAZMR-VIFPVBQESA-N 1 0 185.311 2.190 10 0 AEAERO Cc1cc(C[NH3+])c(C)c(C(F)F)n1 238482960 573700634 /nfs/dbraw/zinc/70/06/34/573700634.db2.gz ZTWUWQXGNMCECX-UHFFFAOYSA-N 1 0 186.205 2.095 10 0 AEAERO CC(=O)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 308686843 573700968 /nfs/dbraw/zinc/70/09/68/573700968.db2.gz ZWGVOTBCBIDLOO-ADEWGFFLSA-N 1 0 197.322 2.380 10 0 AEAERO CSCC[C@@H](C)[N@H+](C)C1CC1 393588970 573700996 /nfs/dbraw/zinc/70/09/96/573700996.db2.gz NGTTXKVJMQFGJJ-MRVPVSSYSA-N 1 0 173.325 2.222 10 0 AEAERO C/C=C\C[NH2+]Cc1sc(C)nc1C 308425287 573701136 /nfs/dbraw/zinc/70/11/36/573701136.db2.gz WFBIAPMEKXJMMI-PLNGDYQASA-N 1 0 196.319 2.426 10 0 AEAERO C[NH2+]CNc1coc2ccccc12 258887002 573701140 /nfs/dbraw/zinc/70/11/40/573701140.db2.gz MNZUWBVVTWHWIB-UHFFFAOYSA-N 1 0 176.219 2.022 10 0 AEAERO CC(C)[C@H](CO)C[NH2+][C@H](C)C1(C)CC1 308685608 573701166 /nfs/dbraw/zinc/70/11/66/573701166.db2.gz ZIGNXJWOJWPMTI-MNOVXSKESA-N 1 0 199.338 2.029 10 0 AEAERO CC[C@@H]([NH3+])[C@H]1CC(C)(C)OC1(C)C 86928346 573701177 /nfs/dbraw/zinc/70/11/77/573701177.db2.gz ZVJVHRPLGBIRMZ-RKDXNWHRSA-N 1 0 185.311 2.317 10 0 AEAERO CC(C)=CC[NH2+]CCCOC(F)F 393551750 573701416 /nfs/dbraw/zinc/70/14/16/573701416.db2.gz BVTUPIHPIFZPIK-UHFFFAOYSA-N 1 0 193.237 2.172 10 0 AEAERO 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AEAERO C[C@@H]1C[C@@]1([NH3+])CCC(F)(F)F 86980913 573720355 /nfs/dbraw/zinc/72/03/55/573720355.db2.gz FAVYEPVEARYSIW-RITPCOANSA-N 1 0 167.174 2.066 10 0 AEAERO C[NH2+]C[C@@H](F)c1ccccc1C 257856241 573720747 /nfs/dbraw/zinc/72/07/47/573720747.db2.gz UEAZRZZYPSZCQJ-SNVBAGLBSA-N 1 0 167.227 2.225 10 0 AEAERO c1cc2c(c([C@H]3CC[NH2+]3)c1)CCCO2 238028505 573719800 /nfs/dbraw/zinc/71/98/00/573719800.db2.gz DEWLKBANNHVPMM-LLVKDONJSA-N 1 0 189.258 2.046 10 0 AEAERO CC[C@H](C)CC[NH2+]C(C)(C)CCO 394390672 573719811 /nfs/dbraw/zinc/71/98/11/573719811.db2.gz CQBLLWRVGLUIGS-JTQLQIEISA-N 1 0 187.327 2.173 10 0 AEAERO CC(C)(CN)[NH2+]CC(C)(C)C1CCC1 258891735 573720387 /nfs/dbraw/zinc/72/03/87/573720387.db2.gz RDGWRHIHIZBQDN-UHFFFAOYSA-N 1 0 198.354 2.140 10 0 AEAERO c1csc(CC[C@H]2[NH2+]CCS2)c1 238029711 573719825 /nfs/dbraw/zinc/71/98/25/573719825.db2.gz AWGJNROAEANQCS-VIFPVBQESA-N 1 0 199.344 2.343 10 0 AEAERO C[C@]1(C2CCCCC2)OCC[C@@H]1C[NH3+] 257855945 573719934 /nfs/dbraw/zinc/71/99/34/573719934.db2.gz PZMGNQVARJUFSO-VXGBXAGGSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@H]([NH3+])c1nn(C)cc1C1CCCC1 257856091 573719957 /nfs/dbraw/zinc/71/99/57/573719957.db2.gz TYNNCPZVODLGPO-QMMMGPOBSA-N 1 0 193.294 2.097 10 0 AEAERO Cc1ccc(F)c2c(C[NH3+])c[nH]c12 238494457 573719965 /nfs/dbraw/zinc/71/99/65/573719965.db2.gz ASSPUKATSDRXCQ-UHFFFAOYSA-N 1 0 178.210 2.074 10 0 AEAERO C[NH2+]Cc1coc2cccc(C)c12 257856384 573719985 /nfs/dbraw/zinc/71/99/85/573719985.db2.gz DIVLFZXCAOKNRQ-UHFFFAOYSA-N 1 0 175.231 2.461 10 0 AEAERO CC1(C)CCSC[C@@H]1[NH2+]C1CC1 86969813 573720730 /nfs/dbraw/zinc/72/07/30/573720730.db2.gz FKUFEWGAKRIJEZ-VIFPVBQESA-N 1 0 185.336 2.270 10 0 AEAERO C[C@@H](C[NH3+])[C@@H]1CCc2cccc(F)c21 257855966 573720010 /nfs/dbraw/zinc/72/00/10/573720010.db2.gz QAAJUKPVRPZWRU-WPRPVWTQSA-N 1 0 193.265 2.450 10 0 AEAERO Cc1ncccc1[C@@H]1CCCC[C@@H]1[NH3+] 238494947 573720034 /nfs/dbraw/zinc/72/00/34/573720034.db2.gz HHMHDMAOYZDSMP-RYUDHWBXSA-N 1 0 190.290 2.375 10 0 AEAERO C[C@@H]1SC2(CCCC2)[NH2+][C@@H]1C 238494102 573720040 /nfs/dbraw/zinc/72/00/40/573720040.db2.gz XKBMMXKXTIKDFH-SFYZADRCSA-N 1 0 171.309 2.370 10 0 AEAERO C[NH2+]C[C@@H]1C[C@]12CSCCC2(C)C 86973556 573720108 /nfs/dbraw/zinc/72/01/08/573720108.db2.gz LIBFRQSJTXSRPU-ONGXEEELSA-N 1 0 199.363 2.375 10 0 AEAERO CCCC1(C2=NO[C@@H](C[NH3+])C2)CCC1 686124529 573720164 /nfs/dbraw/zinc/72/01/64/573720164.db2.gz ACHBHTVUQGFION-SECBINFHSA-N 1 0 196.294 2.060 10 0 AEAERO C[C@@H]1c2cc(F)ccc2CC[C@H]1C[NH3+] 258105773 573720189 /nfs/dbraw/zinc/72/01/89/573720189.db2.gz JGQQNMMUVHDVAL-WPRPVWTQSA-N 1 0 193.265 2.450 10 0 AEAERO CC(C)n1ccnc1[C@H]1CCCC[NH2+]1 75869240 573720194 /nfs/dbraw/zinc/72/01/94/573720194.db2.gz ZORSCZOJNJFOBG-SNVBAGLBSA-N 1 0 193.294 2.279 10 0 AEAERO Cc1ccc(N)c(C2CC[NH2+]CC2)c1 75869446 573720209 /nfs/dbraw/zinc/72/02/09/573720209.db2.gz FTTBMUZCHORSCN-UHFFFAOYSA-N 1 0 190.290 2.044 10 0 AEAERO CC(C)OC[C@H](C)[NH2+]C1(C2CC2)CC1 308682032 573720268 /nfs/dbraw/zinc/72/02/68/573720268.db2.gz XXBNAWJPEIYNQN-JTQLQIEISA-N 1 0 197.322 2.332 10 0 AEAERO Cc1cc(O)cc([C@@H]([NH3+])C2CC2)c1 238494822 573720417 /nfs/dbraw/zinc/72/04/17/573720417.db2.gz GBNSYFGAUAEGQI-NSHDSACASA-N 1 0 177.247 2.110 10 0 AEAERO CC(C)(C)C(=O)C[C@@H]1CCC[NH2+]CC1 257856839 573720419 /nfs/dbraw/zinc/72/04/19/573720419.db2.gz QBUVLJQFRGNNJG-SNVBAGLBSA-N 1 0 197.322 2.381 10 0 AEAERO Cc1ccc(N)c([C@@H]2CCC[NH2+]C2)c1 75869626 573720500 /nfs/dbraw/zinc/72/05/00/573720500.db2.gz HQJZOCLEOCUKLK-SNVBAGLBSA-N 1 0 190.290 2.044 10 0 AEAERO C[NH2+]CC1(C(C)(C)C)CCOCC1 83965532 573720561 /nfs/dbraw/zinc/72/05/61/573720561.db2.gz MWEMLHGIQROKIU-UHFFFAOYSA-N 1 0 185.311 2.049 10 0 AEAERO CC1(C)CCSC[C@H]1[NH2+]C1CC1 86969816 573720585 /nfs/dbraw/zinc/72/05/85/573720585.db2.gz FKUFEWGAKRIJEZ-SECBINFHSA-N 1 0 185.336 2.270 10 0 AEAERO CC1(C)CCC[C@@]2(CC1)C[NH+]=C(N)O2 83966804 573720654 /nfs/dbraw/zinc/72/06/54/573720654.db2.gz CNAAWVGPSSKGGZ-LLVKDONJSA-N 1 0 196.294 2.060 10 0 AEAERO C[C@H]([NH2+][C@H](C)c1ccn(C)c1)C1CC1 308682102 573720673 /nfs/dbraw/zinc/72/06/73/573720673.db2.gz XYAUAFIIYHYOIY-VHSXEESVSA-N 1 0 192.306 2.474 10 0 AEAERO C[C@@H]1C[C@]1([NH3+])CCC(F)(F)F 86980909 573720685 /nfs/dbraw/zinc/72/06/85/573720685.db2.gz FAVYEPVEARYSIW-PHDIDXHHSA-N 1 0 167.174 2.066 10 0 AEAERO C[C@H](C[NH3+])[C@H]1CCc2cccc(F)c21 257855962 573720692 /nfs/dbraw/zinc/72/06/92/573720692.db2.gz QAAJUKPVRPZWRU-PSASIEDQSA-N 1 0 193.265 2.450 10 0 AEAERO C[C@H](F)C[C@H]1CCC[NH2+]CC1 258512657 573721600 /nfs/dbraw/zinc/72/16/00/573721600.db2.gz LNBRPBFGTXUPLU-IUCAKERBSA-N 1 0 159.248 2.124 10 0 AEAERO CC1(C)CCSC/C1=C\CC[NH3+] 86973670 573722557 /nfs/dbraw/zinc/72/25/57/573722557.db2.gz DPRBVBYCHYDHGG-RUDMXATFSA-N 1 0 185.336 2.425 10 0 AEAERO C[C@H]1C[C@@]1([NH3+])CCC(F)(F)F 86980915 573721536 /nfs/dbraw/zinc/72/15/36/573721536.db2.gz FAVYEPVEARYSIW-WDSKDSINSA-N 1 0 167.174 2.066 10 0 AEAERO CC(C)OC[C@@H](C)[NH2+]C1(C2CC2)CC1 308682034 573721543 /nfs/dbraw/zinc/72/15/43/573721543.db2.gz XXBNAWJPEIYNQN-SNVBAGLBSA-N 1 0 197.322 2.332 10 0 AEAERO CC(C)(C)CSC[C@H]1CC[NH2+]C1 257856491 573721553 /nfs/dbraw/zinc/72/15/53/573721553.db2.gz BXEYLSWYLIKKJQ-VIFPVBQESA-N 1 0 187.352 2.375 10 0 AEAERO C[NH2+]C[C@H]1CCCc2ccc(O)cc21 257855901 573721563 /nfs/dbraw/zinc/72/15/63/573721563.db2.gz PXKVTLVXDUALGL-SNVBAGLBSA-N 1 0 191.274 2.032 10 0 AEAERO CC1(C)CSC[C@]2(C[C@@H]2C[NH3+])C1 86978584 573721634 /nfs/dbraw/zinc/72/16/34/573721634.db2.gz VWSNKRFGWIALQN-SCZZXKLOSA-N 1 0 185.336 2.115 10 0 AEAERO CC1(C)CSC[C@@]2(C[C@@H]2C[NH3+])C1 86978587 573721643 /nfs/dbraw/zinc/72/16/43/573721643.db2.gz VWSNKRFGWIALQN-PSASIEDQSA-N 1 0 185.336 2.115 10 0 AEAERO Oc1ccccc1[C@@H](F)CC1C[NH2+]C1 257856835 573721697 /nfs/dbraw/zinc/72/16/97/573721697.db2.gz QBSFOEQRDWFZDE-JTQLQIEISA-N 1 0 195.237 2.012 10 0 AEAERO Oc1ccccc1[C@H](F)CC1C[NH2+]C1 257856836 573721785 /nfs/dbraw/zinc/72/17/85/573721785.db2.gz QBSFOEQRDWFZDE-SNVBAGLBSA-N 1 0 195.237 2.012 10 0 AEAERO Cc1nc([C@H]2CCCCC[NH2+]2)oc1C 75868948 573721798 /nfs/dbraw/zinc/72/17/98/573721798.db2.gz CJQRQCSCOHEDES-SNVBAGLBSA-N 1 0 194.278 2.496 10 0 AEAERO CC[C@@H](C)C[C@@H](CN)[NH+]1CCCCC1 394394141 573721806 /nfs/dbraw/zinc/72/18/06/573721806.db2.gz BHOVFTSQLYZHLD-NEPJUHHUSA-N 1 0 198.354 2.236 10 0 AEAERO CCc1c([C@H](C)[NH2+]C)cnn1C(C)C 257856866 573721820 /nfs/dbraw/zinc/72/18/20/573721820.db2.gz QCIAGBNOIYPLFA-VIFPVBQESA-N 1 0 195.310 2.307 10 0 AEAERO CC(C)n1nccc1[C@H]1CCCC[NH2+]1 75869332 573721938 /nfs/dbraw/zinc/72/19/38/573721938.db2.gz WZEONIYGCANGMV-SNVBAGLBSA-N 1 0 193.294 2.279 10 0 AEAERO C[C@H]1c2cc(F)ccc2CC[C@@H]1C[NH3+] 258105753 573721974 /nfs/dbraw/zinc/72/19/74/573721974.db2.gz JGQQNMMUVHDVAL-PSASIEDQSA-N 1 0 193.265 2.450 10 0 AEAERO O=C(CC1CCCCCC1)[C@H]1CC[NH2+]1 257856812 573721979 /nfs/dbraw/zinc/72/19/79/573721979.db2.gz QBCRBCXFPWRRGU-LLVKDONJSA-N 1 0 195.306 2.278 10 0 AEAERO Cc1ccc(C[NH2+]C(C)C)c(N)c1 258104081 573722052 /nfs/dbraw/zinc/72/20/52/573722052.db2.gz KXKRBWPQTYJBLJ-UHFFFAOYSA-N 1 0 178.279 2.075 10 0 AEAERO Cc1cc2c(c(F)c1F)[C@@H]([NH3+])CCO2 238485578 573722090 /nfs/dbraw/zinc/72/20/90/573722090.db2.gz ACUGDMLZWJINBG-LURJTMIESA-N 1 0 199.200 2.056 10 0 AEAERO C[C@H]1c2cc(F)ccc2CC[C@H]1C[NH3+] 258105760 573722129 /nfs/dbraw/zinc/72/21/29/573722129.db2.gz JGQQNMMUVHDVAL-SCZZXKLOSA-N 1 0 193.265 2.450 10 0 AEAERO Cc1ncccc1[C@H]1CCCC[C@H]1[NH3+] 238495836 573722167 /nfs/dbraw/zinc/72/21/67/573722167.db2.gz HHMHDMAOYZDSMP-VXGBXAGGSA-N 1 0 190.290 2.375 10 0 AEAERO Cc1coc([C@H]2CCCCC[NH2+]2)n1 75868946 573722182 /nfs/dbraw/zinc/72/21/82/573722182.db2.gz BPRPUXLJQRDMMI-SECBINFHSA-N 1 0 180.251 2.188 10 0 AEAERO Cc1ccc(N)c([C@H]2CCCC[NH2+]2)c1 75869080 573722218 /nfs/dbraw/zinc/72/22/18/573722218.db2.gz OMCRWTFJJFJFLN-GFCCVEGCSA-N 1 0 190.290 2.392 10 0 AEAERO CC1(C)CSC[C@H]([NH2+]C2CC2)C1 86974251 573722254 /nfs/dbraw/zinc/72/22/54/573722254.db2.gz ROFGWNPFZYREHV-SECBINFHSA-N 1 0 185.336 2.270 10 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196.319 2.121 10 0 AEAERO Cc1nc([C@H]2CC[N@@H+](C)C2)sc1C 259200843 573815244 /nfs/dbraw/zinc/81/52/44/573815244.db2.gz HKDVPVWLTQEFLL-VIFPVBQESA-N 1 0 196.319 2.179 10 0 AEAERO CC(=O)C[C@H](C)[NH+]1CCC(C)CC1 84273410 573815261 /nfs/dbraw/zinc/81/52/61/573815261.db2.gz LIHJLBFPWSTUFL-JTQLQIEISA-N 1 0 183.295 2.086 10 0 AEAERO Cc1nc(C[C@H]2CC[C@H]([NH3+])C2)cs1 84276690 573815432 /nfs/dbraw/zinc/81/54/32/573815432.db2.gz HZMVMKHJKWEUDF-IUCAKERBSA-N 1 0 196.319 2.121 10 0 AEAERO CC(C)C[C@@H]([NH3+])c1ccc(N)cc1 257879959 573815370 /nfs/dbraw/zinc/81/53/70/573815370.db2.gz LRWNVPMOMLGBSJ-LLVKDONJSA-N 1 0 178.279 2.315 10 0 AEAERO [NH3+]C1([C@H]2CCCOC2)CCCCCC1 225002051 573815387 /nfs/dbraw/zinc/81/53/87/573815387.db2.gz SYCKLICWTWYQRD-NSHDSACASA-N 1 0 197.322 2.465 10 0 AEAERO CC(C)c1cccc(CCC[NH3+])c1O 258141010 573815443 /nfs/dbraw/zinc/81/54/43/573815443.db2.gz SOTAMKFPLZJKAO-UHFFFAOYSA-N 1 0 193.290 2.407 10 0 AEAERO CCC[C@H](CN(C)C1CCC1)[NH2+]CC 127352063 573815462 /nfs/dbraw/zinc/81/54/62/573815462.db2.gz CZEYTMMMIRWDIA-LLVKDONJSA-N 1 0 198.354 2.249 10 0 AEAERO CC[C@@H]([NH3+])CCc1ccccc1OC 43457428 573815555 /nfs/dbraw/zinc/81/55/55/573815555.db2.gz FUUUAPXBBOKDMO-LLVKDONJSA-N 1 0 193.290 2.365 10 0 AEAERO C[NH2+]CSc1cc(C)ccc1OC 259200011 573815569 /nfs/dbraw/zinc/81/55/69/573815569.db2.gz KIDAEQPYCONPMS-UHFFFAOYSA-N 1 0 197.303 2.273 10 0 AEAERO [NH3+]Cc1ccccc1C1=CCSC1 257881448 573815602 /nfs/dbraw/zinc/81/56/02/573815602.db2.gz VKUQTUXYLQYILM-UHFFFAOYSA-N 1 0 191.299 2.276 10 0 AEAERO C[N@@H+]1CC[C@@H](CC2CCC(=O)CC2)C1 259199848 573815626 /nfs/dbraw/zinc/81/56/26/573815626.db2.gz RTPLLKZHPDEMEV-NSHDSACASA-N 1 0 195.306 2.088 10 0 AEAERO COc1ccc(F)c(C)c1C(C)(C)[NH3+] 258145378 573815630 /nfs/dbraw/zinc/81/56/30/573815630.db2.gz SWLVJHYXUBOUJU-UHFFFAOYSA-N 1 0 197.253 2.337 10 0 AEAERO COCc1cccc(CC(C)(C)[NH3+])c1 258141004 573815647 /nfs/dbraw/zinc/81/56/47/573815647.db2.gz SONQGSDABJOFCH-UHFFFAOYSA-N 1 0 193.290 2.113 10 0 AEAERO 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573818803 /nfs/dbraw/zinc/81/88/03/573818803.db2.gz XJCMZIVTNOFWTR-SNVBAGLBSA-N 1 0 193.294 2.092 10 0 AEAERO CCCC[N@@H+]1CCC(C)(C)[C@@H](CO)C1 259198739 573816075 /nfs/dbraw/zinc/81/60/75/573816075.db2.gz IRHLXOQPWIOYPA-LLVKDONJSA-N 1 0 199.338 2.127 10 0 AEAERO [NH3+]C1(CC[C@H]2CCCC[C@@H]2CO)CC1 257880460 573816111 /nfs/dbraw/zinc/81/61/11/573816111.db2.gz VKKKRQCETHTWLE-GHMZBOCLSA-N 1 0 197.322 2.057 10 0 AEAERO CC[C@](C)(CO)C[NH2+][C@H](C)C1(C)CC1 131199983 573816144 /nfs/dbraw/zinc/81/61/44/573816144.db2.gz SUYSZBNHBMYUNE-MNOVXSKESA-N 1 0 199.338 2.173 10 0 AEAERO Cc1nc(C[C@H]2CC[C@@H]([NH3+])C2)cs1 84276694 573816153 /nfs/dbraw/zinc/81/61/53/573816153.db2.gz HZMVMKHJKWEUDF-DTWKUNHWSA-N 1 0 196.319 2.121 10 0 AEAERO Cc1nc(C[C@@H]2CC[C@H]([NH3+])C2)cs1 84276688 573816161 /nfs/dbraw/zinc/81/61/61/573816161.db2.gz HZMVMKHJKWEUDF-BDAKNGLRSA-N 1 0 196.319 2.121 10 0 AEAERO COc1ccc(F)c([C@H](C)C[NH3+])c1C 258147751 573818813 /nfs/dbraw/zinc/81/88/13/573818813.db2.gz 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AEAERO Cc1cc(C)c([C@@H]([NH3+])N(C)C)c(C)c1 259573560 573833807 /nfs/dbraw/zinc/83/38/07/573833807.db2.gz PJVXACJITXNTNE-LBPRGKRZSA-N 1 0 192.306 2.131 10 0 AEAERO CC[C@@H](C[NH3+])Oc1cc(C)cc(C)c1 43541572 573833865 /nfs/dbraw/zinc/83/38/65/573833865.db2.gz QDOXKZNUGIRLII-NSHDSACASA-N 1 0 193.290 2.420 10 0 AEAERO CC[C@H](C[NH3+])Oc1c(C)cccc1C 43541431 573833870 /nfs/dbraw/zinc/83/38/70/573833870.db2.gz DTBUHSPRITXFHZ-LLVKDONJSA-N 1 0 193.290 2.420 10 0 AEAERO Cc1cc(F)c([C@@H]2CC[NH2+]2)cc1F 87220894 573833887 /nfs/dbraw/zinc/83/38/87/573833887.db2.gz KLUYGKKVVQUZES-JTQLQIEISA-N 1 0 183.201 2.308 10 0 AEAERO CCC([NH3+])(CC)Cc1ccoc1 84331254 573833927 /nfs/dbraw/zinc/83/39/27/573833927.db2.gz UGHXUHPPJLZDFV-UHFFFAOYSA-N 1 0 167.252 2.340 10 0 AEAERO C[C@@H](C[NH3+])[C@H](C)CCC1CCOCC1 308762505 573833956 /nfs/dbraw/zinc/83/39/56/573833956.db2.gz YRGVREVZKFPBHE-MNOVXSKESA-N 1 0 199.338 2.424 10 0 AEAERO CC(C)SC(C)(C)CC[NH3+] 259207344 573833996 /nfs/dbraw/zinc/83/39/96/573833996.db2.gz 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573834342 /nfs/dbraw/zinc/83/43/42/573834342.db2.gz AKVUULKSCUFXQK-UHFFFAOYSA-N 1 0 194.278 2.147 10 0 AEAERO CC[C@@H](CCC1CCOCC1)C[NH2+]C 308756223 573834346 /nfs/dbraw/zinc/83/43/46/573834346.db2.gz WNHWOACCWOOFLY-NSHDSACASA-N 1 0 199.338 2.439 10 0 AEAERO Fc1cc([C@@H]2CCCC[NH2+]2)co1 238531838 573834352 /nfs/dbraw/zinc/83/43/52/573834352.db2.gz YEYDJXIRMVVDOV-QMMMGPOBSA-N 1 0 169.199 2.233 10 0 AEAERO CC[C@@H](CO)[C@@H]([NH2+]C)C1CCCCC1 259208439 573834381 /nfs/dbraw/zinc/83/43/81/573834381.db2.gz LIXICCGOMDYGHQ-CMPLNLGQSA-N 1 0 199.338 2.173 10 0 AEAERO C[NH2+][C@H](c1cscn1)C(C)C 84331897 573834389 /nfs/dbraw/zinc/83/43/89/573834389.db2.gz NQABHWXZXBPQNC-QMMMGPOBSA-N 1 0 170.281 2.060 10 0 AEAERO C[C@]1([C@H]([NH3+])CC2CCCC2)CCCO1 87227734 573834398 /nfs/dbraw/zinc/83/43/98/573834398.db2.gz ZNYFODPVVCQENN-VXGBXAGGSA-N 1 0 197.322 2.463 10 0 AEAERO Cc1cc(Cl)c([C@H]2CCC[NH2+]2)cn1 238532252 573836049 /nfs/dbraw/zinc/83/60/49/573836049.db2.gz DWOYYSWSLFLFSU-SNVBAGLBSA-N 1 0 196.681 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191.274 2.279 10 0 AEAERO CC(=O)CC[N@H+](C)CCC1CCC1 258978110 573870303 /nfs/dbraw/zinc/87/03/03/573870303.db2.gz WANQCQOQGSAKTI-UHFFFAOYSA-N 1 0 183.295 2.088 10 0 AEAERO CC(C)[NH2+][C@@H](C)c1ccoc1 87289380 573870351 /nfs/dbraw/zinc/87/03/51/573870351.db2.gz HGSNSKOIPNFZGV-QMMMGPOBSA-N 1 0 153.225 2.339 10 0 AEAERO CCCC[N@H+](CC)CC[C@@H](C)[NH2+]C 43817545 573870360 /nfs/dbraw/zinc/87/03/60/573870360.db2.gz HFLAEOAYRPSZSR-LLVKDONJSA-N 1 0 186.343 2.106 10 0 AEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N(C)C(C)C 43813670 573870386 /nfs/dbraw/zinc/87/03/86/573870386.db2.gz IUEBCUICWAIEQB-NEPJUHHUSA-N 1 0 198.354 2.247 10 0 AEAERO CC[C@](C)([C@H](C)O)[N@H+](C)C[C@@H]1C[C@@H]1C 393669655 573870419 /nfs/dbraw/zinc/87/04/19/573870419.db2.gz RQEGPYLYMBJLFK-FIQHERPVSA-N 1 0 199.338 2.124 10 0 AEAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C 43816184 573870475 /nfs/dbraw/zinc/87/04/75/573870475.db2.gz VWPAACJNHSDVOM-UTUOFQBUSA-N 1 0 198.354 2.105 10 0 AEAERO Cc1ccccc1[C@]1([NH3+])CCSC1 84354975 573870542 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215000649 573871970 /nfs/dbraw/zinc/87/19/70/573871970.db2.gz FEAFSRJEAVATCU-UHFFFAOYSA-N 1 0 199.681 2.116 10 0 AEAERO [NH3+]CCCC=C1SCCCS1 238555661 573871973 /nfs/dbraw/zinc/87/19/73/573871973.db2.gz VAMBUDLIFZVIJR-UHFFFAOYSA-N 1 0 189.349 2.437 10 0 AEAERO CC[C@H](C)CO[C@H]1CCCC[C@@H]1[NH3+] 131440175 573871979 /nfs/dbraw/zinc/87/19/79/573871979.db2.gz XAPFGLZTQHSMDH-DCAQKATOSA-N 1 0 185.311 2.319 10 0 AEAERO CCC[C@H]([NH2+]C)c1ncccc1F 131447078 573871999 /nfs/dbraw/zinc/87/19/99/573871999.db2.gz XPBOWBQGZPVFHS-VIFPVBQESA-N 1 0 182.242 2.281 10 0 AEAERO [NH3+]CSc1ccc(Cl)cc1 259218028 573878763 /nfs/dbraw/zinc/87/87/63/573878763.db2.gz MCFBDQLEPPZUHB-UHFFFAOYSA-N 1 0 173.668 2.348 10 0 AEAERO C[NH2+][C@@H](C)c1ccc2c(c1)N[C@@H](C)C2 258168743 573873438 /nfs/dbraw/zinc/87/34/38/573873438.db2.gz RZMVSGIVEGNYHP-IUCAKERBSA-N 1 0 190.290 2.324 10 0 AEAERO Cc1cccc([C@@]2([NH3+])CCSC2)c1 84354966 573873079 /nfs/dbraw/zinc/87/30/79/573873079.db2.gz FVEJNCZCJQMUCR-LLVKDONJSA-N 1 0 193.315 2.286 10 0 AEAERO CCOc1ccccc1[C@]1([NH3+])C[C@@H]1C 125331355 573873084 /nfs/dbraw/zinc/87/30/84/573873084.db2.gz DNMQTWOCSOLFML-CABZTGNLSA-N 1 0 191.274 2.279 10 0 AEAERO C[C@H]1C[C@@H](C)C[C@@](C)([NH3+])C1 101572121 573873088 /nfs/dbraw/zinc/87/30/88/573873088.db2.gz PMNUOTQOFZGNNQ-AYMMMOKOSA-N 1 0 141.258 2.160 10 0 AEAERO Cc1cscc1[C@@]1([NH3+])C[C@@H]1C 87289060 573873137 /nfs/dbraw/zinc/87/31/37/573873137.db2.gz GDFDUVNJOJUIEN-IONNQARKSA-N 1 0 167.277 2.250 10 0 AEAERO Cc1cccc(C2([NH3+])CSC2)c1C 84354987 573873142 /nfs/dbraw/zinc/87/31/42/573873142.db2.gz FZJVUVFNCRQVAF-UHFFFAOYSA-N 1 0 193.315 2.204 10 0 AEAERO Cc1cc(F)c2[nH]c(C)c(C[NH3+])c2c1 238541306 573873143 /nfs/dbraw/zinc/87/31/43/573873143.db2.gz ISNNFFWZQXGCLH-UHFFFAOYSA-N 1 0 192.237 2.383 10 0 AEAERO Cc1cscc1[C@H]([NH3+])[C@@H]1CCOC1 87288295 573873151 /nfs/dbraw/zinc/87/31/51/573873151.db2.gz JYXCSIPQTIZORI-PSASIEDQSA-N 1 0 197.303 2.093 10 0 AEAERO Cc1ccc([C@H]2CC[NH2+]C[C@@H]2F)o1 238541113 573873152 /nfs/dbraw/zinc/87/31/52/573873152.db2.gz GUIODTKDKRBTQD-IUCAKERBSA-N 1 0 183.226 2.003 10 0 AEAERO CC(C)c1cccc2c1COC[C@@H]2[NH3+] 238165475 573873180 /nfs/dbraw/zinc/87/31/80/573873180.db2.gz QUDSABQWBLRQIC-LBPRGKRZSA-N 1 0 191.274 2.340 10 0 AEAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C 43816182 573873181 /nfs/dbraw/zinc/87/31/81/573873181.db2.gz VWPAACJNHSDVOM-TUAOUCFPSA-N 1 0 198.354 2.105 10 0 AEAERO CCCN(CCC)[C@@H]1CCC[C@@H]1[NH2+]C 43814624 573873194 /nfs/dbraw/zinc/87/31/94/573873194.db2.gz BCAHWEBSKLFAMV-NWDGAFQWSA-N 1 0 198.354 2.249 10 0 AEAERO Cc1cscc1[C@@H]([NH3+])[C@H]1CCOC1 87288298 573873212 /nfs/dbraw/zinc/87/32/12/573873212.db2.gz JYXCSIPQTIZORI-WPRPVWTQSA-N 1 0 197.303 2.093 10 0 AEAERO CCC[C@H](C)C[C@@]1(O)C[C@H](C)[N@H+](C)C1 127489198 573873252 /nfs/dbraw/zinc/87/32/52/573873252.db2.gz GXJPQXHVEUJXQW-SDDRHHMPSA-N 1 0 199.338 2.268 10 0 AEAERO C[C@H]([NH2+]CCC1=CCOCC1)C1CC1 131442495 573873290 /nfs/dbraw/zinc/87/32/90/573873290.db2.gz XMOILUQPWUMKGW-JTQLQIEISA-N 1 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2.046 10 0 AEAERO CCc1ccc(C(=O)CC[NH3+])cc1C 258181848 573928848 /nfs/dbraw/zinc/92/88/48/573928848.db2.gz WQGYNLOULQFWBO-UHFFFAOYSA-N 1 0 191.274 2.089 10 0 AEAERO O[C@@H](CC1CCCCC1)[C@@H]1CCC[NH2+]1 87473798 573928862 /nfs/dbraw/zinc/92/88/62/573928862.db2.gz MBXPJVCSAHSWCP-RYUDHWBXSA-N 1 0 197.322 2.070 10 0 AEAERO COc1c(C)ccc(Cl)c1CC[NH3+] 215008362 573928867 /nfs/dbraw/zinc/92/88/67/573928867.db2.gz UMGSITLOKTXKIR-UHFFFAOYSA-N 1 0 199.681 2.158 10 0 AEAERO Cc1occc1SC(C)(C)C[NH3+] 235810174 573928884 /nfs/dbraw/zinc/92/88/84/573928884.db2.gz VWXMZGJAJUXFGE-UHFFFAOYSA-N 1 0 185.292 2.417 10 0 AEAERO [NH3+]CC1(Cc2ccc(F)c(F)c2)CC1 84932171 573928889 /nfs/dbraw/zinc/92/88/89/573928889.db2.gz IOYQAFPRTBLTNB-UHFFFAOYSA-N 1 0 197.228 2.246 10 0 AEAERO [NH3+][C@H]1CCCO[C@H]1CC1CCCCC1 87475132 573928912 /nfs/dbraw/zinc/92/89/12/573928912.db2.gz CVQRXPDIHGVBKB-RYUDHWBXSA-N 1 0 197.322 2.463 10 0 AEAERO Cc1ccc([C@@]2(C)[NH2+]C[C@H](C)O2)s1 258459769 573928972 /nfs/dbraw/zinc/92/89/72/573928972.db2.gz KLXWEHARDNPNSP-XVKPBYJWSA-N 1 0 197.303 2.238 10 0 AEAERO COC[C@H](C)[C@@H]1[NH2+]Cc2ccccc21 84901780 573929444 /nfs/dbraw/zinc/92/94/44/573929444.db2.gz MWUGWKZWMSDXKT-CABZTGNLSA-N 1 0 191.274 2.113 10 0 AEAERO CCn1nccc1[C@H]([NH3+])[C@@H](C)C(C)C 127598579 573928996 /nfs/dbraw/zinc/92/89/96/573928996.db2.gz RFNDQTHREJMVKD-GXSJLCMTSA-N 1 0 195.310 2.195 10 0 AEAERO C[C@@H](c1ccc2ncoc2c1)[NH+](C)C 259242606 573929009 /nfs/dbraw/zinc/92/90/09/573929009.db2.gz ROKRNALLGNYBBA-QMMMGPOBSA-N 1 0 190.246 2.450 10 0 AEAERO C[C@H]1CCCN1C[C@@H]1CCCCC[NH2+]1 81018955 573929040 /nfs/dbraw/zinc/92/90/40/573929040.db2.gz DBBLUDZJXPIMHY-RYUDHWBXSA-N 1 0 196.338 2.003 10 0 AEAERO CC(C)CC[NH2+][C@H]1C[C@@H]1C(F)F 393496112 573929098 /nfs/dbraw/zinc/92/90/98/573929098.db2.gz XJSMMQGIKAWBRG-YUMQZZPRSA-N 1 0 177.238 2.276 10 0 AEAERO CC(C)[C@@H](C)CNc1cc(N)cc[nH+]1 81040857 573929109 /nfs/dbraw/zinc/92/91/09/573929109.db2.gz ZIBBVXNKZZNXCJ-VIFPVBQESA-N 1 0 193.294 2.368 10 0 AEAERO C[NH2+][C@H](C)c1ccc(CO)cc1Cl 215009304 573929125 /nfs/dbraw/zinc/92/91/25/573929125.db2.gz DUBYNTDZFKOAMA-SSDOTTSWSA-N 1 0 199.681 2.113 10 0 AEAERO CCC(C)(CC)SC(N)=[NH2+] 238199713 573929145 /nfs/dbraw/zinc/92/91/45/573929145.db2.gz IXSIPEBPNUYHPI-UHFFFAOYSA-N 1 0 160.286 2.192 10 0 AEAERO C[C@@](O)(CC1CC1)C[C@H]1CCCC[NH2+]1 127586169 573929159 /nfs/dbraw/zinc/92/91/59/573929159.db2.gz BALSKNHTQQKPAW-VXGBXAGGSA-N 1 0 197.322 2.070 10 0 AEAERO O[C@H](CC1CCCCC1)[C@H]1CCC[NH2+]1 87473801 573929167 /nfs/dbraw/zinc/92/91/67/573929167.db2.gz MBXPJVCSAHSWCP-VXGBXAGGSA-N 1 0 197.322 2.070 10 0 AEAERO O[C@H](CC1CCCCC1)[C@@H]1CCC[NH2+]1 87473799 573929214 /nfs/dbraw/zinc/92/92/14/573929214.db2.gz MBXPJVCSAHSWCP-NWDGAFQWSA-N 1 0 197.322 2.070 10 0 AEAERO O[C@@H](CC1CCCCC1)[C@H]1CCC[NH2+]1 87473800 573929243 /nfs/dbraw/zinc/92/92/43/573929243.db2.gz MBXPJVCSAHSWCP-NEPJUHHUSA-N 1 0 197.322 2.070 10 0 AEAERO CC(C)[C@H](C)CNc1ccc(N)nc1 81040590 573929246 /nfs/dbraw/zinc/92/92/46/573929246.db2.gz DUUPJEZPSGIUKI-SECBINFHSA-N 1 0 193.294 2.368 10 0 AEAERO CC[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(C)nc1 715374139 573929270 /nfs/dbraw/zinc/92/92/70/573929270.db2.gz XDPSSGMJYSFLFE-YUSALJHKSA-N 1 0 190.290 2.436 10 0 AEAERO [NH3+]C[C@H]1CC(CC2CCCCC2)=NO1 87474359 573929295 /nfs/dbraw/zinc/92/92/95/573929295.db2.gz HEDWFSHYJZBBAZ-LLVKDONJSA-N 1 0 196.294 2.060 10 0 AEAERO [NH3+][C@@H](Cc1c(F)cccc1F)C1CC1 84932117 573929297 /nfs/dbraw/zinc/92/92/97/573929297.db2.gz HIUBLBJQFKKAHY-NSHDSACASA-N 1 0 197.228 2.245 10 0 AEAERO [NH3+][C@@H]1CCCO[C@H]1CC1CCCCC1 87475128 573929306 /nfs/dbraw/zinc/92/93/06/573929306.db2.gz CVQRXPDIHGVBKB-NEPJUHHUSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@@H](C)CN(C)[C@H]1C[NH2+]C(C)(C)C1 131777407 573929334 /nfs/dbraw/zinc/92/93/34/573929334.db2.gz JYEJECMORQHIKM-GHMZBOCLSA-N 1 0 198.354 2.105 10 0 AEAERO CC(C)[C@H](C)CNc1ccc(N)cn1 81040704 573929385 /nfs/dbraw/zinc/92/93/85/573929385.db2.gz FNYPKDHWKHLQIB-SECBINFHSA-N 1 0 193.294 2.368 10 0 AEAERO C1CCC(C[C@@H]2CC[NH2+]2)CC1 87474558 573929391 /nfs/dbraw/zinc/92/93/91/573929391.db2.gz ORQSYAMOPRJBLQ-JTQLQIEISA-N 1 0 153.269 2.319 10 0 AEAERO Fc1ccc([C@@H](F)[C@H]2CC[NH2+]2)cc1 257901423 573929484 /nfs/dbraw/zinc/92/94/84/573929484.db2.gz OXXBRDHJFGLSOZ-NXEZZACHSA-N 1 0 183.201 2.198 10 0 AEAERO CCc1nc(C(C)(C)CC[NH3+])cs1 259240586 573929564 /nfs/dbraw/zinc/92/95/64/573929564.db2.gz JSXWDUVKLLGSIM-UHFFFAOYSA-N 1 0 198.335 2.332 10 0 AEAERO COCC/C(C)=C1\CC[NH2+]CC1(C)C 308465083 573929595 /nfs/dbraw/zinc/92/95/95/573929595.db2.gz WAQNORUJEGKOFQ-ZHACJKMWSA-N 1 0 197.322 2.359 10 0 AEAERO CC[NH2+][C@@H](CC)[C@@H](OC)C(C)C 124622305 573929602 /nfs/dbraw/zinc/92/96/02/573929602.db2.gz UAXKIEXHSGEALY-UWVGGRQHSA-N 1 0 173.300 2.046 10 0 AEAERO Fc1ccc([C@@H](F)[C@@H]2CC[NH2+]2)cc1 257901425 573929608 /nfs/dbraw/zinc/92/96/08/573929608.db2.gz OXXBRDHJFGLSOZ-VHSXEESVSA-N 1 0 183.201 2.198 10 0 AEAERO COC[C@@H](C)[C@H]1[NH2+]Cc2ccccc21 84901778 573929717 /nfs/dbraw/zinc/92/97/17/573929717.db2.gz MWUGWKZWMSDXKT-BXKDBHETSA-N 1 0 191.274 2.113 10 0 AEAERO COc1cc(C)c(Cl)c(CC[NH3+])c1 215008144 573929745 /nfs/dbraw/zinc/92/97/45/573929745.db2.gz SOWVKOQGXJPKPE-UHFFFAOYSA-N 1 0 199.681 2.158 10 0 AEAERO [NH3+][C@H](Cc1c(F)cccc1F)C1CC1 84932118 573929754 /nfs/dbraw/zinc/92/97/54/573929754.db2.gz HIUBLBJQFKKAHY-LLVKDONJSA-N 1 0 197.228 2.245 10 0 AEAERO CCC[N@H+](CC1CC1)[C@](C)(CC)CN 42229259 573929774 /nfs/dbraw/zinc/92/97/74/573929774.db2.gz AIGFSDYBOOHNTG-GFCCVEGCSA-N 1 0 198.354 2.236 10 0 AEAERO Cc1cc(CC[NH3+])c(C)c(Cl)c1O 215008216 573929899 /nfs/dbraw/zinc/92/98/99/573929899.db2.gz DKASDZVJOHRODK-UHFFFAOYSA-N 1 0 199.681 2.164 10 0 AEAERO C[C@H]([NH3+])C(=O)C[C@H](C)c1ccccc1 215974434 573929803 /nfs/dbraw/zinc/92/98/03/573929803.db2.gz VOYKEIBPDJSJPC-UWVGGRQHSA-N 1 0 191.274 2.097 10 0 AEAERO CC(C)[C@@H](C)CNc1ncccc1N 81040546 573929816 /nfs/dbraw/zinc/92/98/16/573929816.db2.gz LSINBUZEMOVDQZ-VIFPVBQESA-N 1 0 193.294 2.368 10 0 AEAERO Cc1ccc([C@]2(C)[NH2+]C[C@@H](C)O2)s1 258459752 573929820 /nfs/dbraw/zinc/92/98/20/573929820.db2.gz KLXWEHARDNPNSP-GMSGAONNSA-N 1 0 197.303 2.238 10 0 AEAERO CCn1nccc1[C@H]([NH3+])C(C)(C)CC 127587857 573929844 /nfs/dbraw/zinc/92/98/44/573929844.db2.gz IZBQPKBAACZFFJ-JTQLQIEISA-N 1 0 195.310 2.339 10 0 AEAERO CCC[N@H+](CC1CC1)[C@H](CN)C(C)C 42229289 573929848 /nfs/dbraw/zinc/92/98/48/573929848.db2.gz ASVLCVZRIRMUOW-GFCCVEGCSA-N 1 0 198.354 2.092 10 0 AEAERO CC(C)[C@H](C)CNc1cc[nH+]cc1N 81040831 573930927 /nfs/dbraw/zinc/93/09/27/573930927.db2.gz RVDBZVIXGLDZCF-SECBINFHSA-N 1 0 193.294 2.368 10 0 AEAERO CCC[C@H]([NH2+]C)[C@@H](CC)COC 211769459 573930700 /nfs/dbraw/zinc/93/07/00/573930700.db2.gz KROGCSAXZWIRFX-UWVGGRQHSA-N 1 0 173.300 2.047 10 0 AEAERO CC(C)[C@H]1[NH2+]Cc2ccccc2O1 238199621 573930708 /nfs/dbraw/zinc/93/07/08/573930708.db2.gz ZGMYKHHZPUDGDM-NSHDSACASA-N 1 0 177.247 2.151 10 0 AEAERO CCOc1ccccc1/C=C(\C)C[NH3+] 211768368 573930709 /nfs/dbraw/zinc/93/07/09/573930709.db2.gz SQOAJYXKFQXJNW-CSKARUKUSA-N 1 0 191.274 2.447 10 0 AEAERO CC1(C)C[N@H+](C(C)(C)C)CC[C@H]1CO 259243685 573930729 /nfs/dbraw/zinc/93/07/29/573930729.db2.gz LWIZRSHNXIREOT-JTQLQIEISA-N 1 0 199.338 2.125 10 0 AEAERO CC[C@@]([NH3+])(CO)C1CCCCCC1 215021062 573930759 /nfs/dbraw/zinc/93/07/59/573930759.db2.gz RNFFEAGHSPNZMM-LLVKDONJSA-N 1 0 185.311 2.057 10 0 AEAERO CC(C)[C@@H](C)CNc1ccc(N)cn1 81040703 573930797 /nfs/dbraw/zinc/93/07/97/573930797.db2.gz FNYPKDHWKHLQIB-VIFPVBQESA-N 1 0 193.294 2.368 10 0 AEAERO CC(C)CC[NH2+]CCOC(C)C 42222078 573930823 /nfs/dbraw/zinc/93/08/23/573930823.db2.gz HAYIXQLAJYGJMW-UHFFFAOYSA-N 1 0 173.300 2.047 10 0 AEAERO C[N@H+](CC[C@H]1CCCC1=O)C1CCC1 127632364 573930844 /nfs/dbraw/zinc/93/08/44/573930844.db2.gz KWUCLWVJZOXGQJ-SNVBAGLBSA-N 1 0 195.306 2.230 10 0 AEAERO CC(C)[C@H](C)C[N@@H+]1CCC(=O)[C@H](C)C1 81089013 573930848 /nfs/dbraw/zinc/93/08/48/573930848.db2.gz XWXJWXXJRWUZBW-GHMZBOCLSA-N 1 0 197.322 2.189 10 0 AEAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccnn1C 127609499 573930885 /nfs/dbraw/zinc/93/08/85/573930885.db2.gz FXHDPYUXQBQVFD-ONGXEEELSA-N 1 0 195.310 2.117 10 0 AEAERO CC(C)[C@H](C)C[N@@H+]1CCC(=O)C[C@@H]1C 81065302 573930938 /nfs/dbraw/zinc/93/09/38/573930938.db2.gz QFIVJIIUVXNJFN-MNOVXSKESA-N 1 0 197.322 2.332 10 0 AEAERO CC[C@]([NH3+])(CO)C1CCCCCC1 215021115 573931030 /nfs/dbraw/zinc/93/10/30/573931030.db2.gz RNFFEAGHSPNZMM-NSHDSACASA-N 1 0 185.311 2.057 10 0 AEAERO CCn1c(C[NH3+])cc2cccc(C)c21 257908192 573931037 /nfs/dbraw/zinc/93/10/37/573931037.db2.gz PLGGTSDUYXXSDV-UHFFFAOYSA-N 1 0 188.274 2.428 10 0 AEAERO CCCCCS/C=C/C[NH3+] 238200148 573931043 /nfs/dbraw/zinc/93/10/43/573931043.db2.gz ZAMIVNAGSGJACD-VMPITWQZSA-N 1 0 159.298 2.382 10 0 AEAERO c1noc(C2CC2)c1C[NH+]1CCCC1 585364190 573931117 /nfs/dbraw/zinc/93/11/17/573931117.db2.gz FIYONSRWRNGWBZ-UHFFFAOYSA-N 1 0 192.262 2.148 10 0 AEAERO CCC[C@@H]([NH2+]C)[C@@H](CC)COC 211769537 573931122 /nfs/dbraw/zinc/93/11/22/573931122.db2.gz KROGCSAXZWIRFX-VHSXEESVSA-N 1 0 173.300 2.047 10 0 AEAERO C[C@H]1C[NH2+][C@@H]1c1ccc2c(c1)CCC2 259242432 573931151 /nfs/dbraw/zinc/93/11/51/573931151.db2.gz PFOBTOQHMDRDDU-ZANVPECISA-N 1 0 187.286 2.456 10 0 AEAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccnn1C 127609293 573931164 /nfs/dbraw/zinc/93/11/64/573931164.db2.gz FXHDPYUXQBQVFD-KOLCDFICSA-N 1 0 195.310 2.117 10 0 AEAERO CCc1ccc([C@@H]([NH2+]C)C(C)=O)cc1 259243690 573931166 /nfs/dbraw/zinc/93/11/66/573931166.db2.gz GWOUAOSOXAJLEO-LBPRGKRZSA-N 1 0 191.274 2.099 10 0 AEAERO CC[C@@H](C)[NH2+]Cc1cnoc1C1CC1 585364214 573931265 /nfs/dbraw/zinc/93/12/65/573931265.db2.gz GWRAATYNXGSXLR-MRVPVSSYSA-N 1 0 194.278 2.440 10 0 AEAERO CC1(C)C[NH2+][C@@H](C(C)(C)C)OC1 258521752 573931305 /nfs/dbraw/zinc/93/13/05/573931305.db2.gz NEPTZONZEHOXCI-MRVPVSSYSA-N 1 0 171.284 2.005 10 0 AEAERO C[N@H+](CC[C@H]1CCC[C@@H]1O)C1CCC1 127727408 573931360 /nfs/dbraw/zinc/93/13/60/573931360.db2.gz YUMDBTJHAOVQMS-PWSUYJOCSA-N 1 0 197.322 2.022 10 0 AEAERO CC(=O)CCCC[N@@H+](C)C1CCC1 127626436 573931403 /nfs/dbraw/zinc/93/14/03/573931403.db2.gz YIRMLRIUZLAJCV-UHFFFAOYSA-N 1 0 183.295 2.230 10 0 AEAERO Cc1ccc(NCCC[NH3+])cc1Cl 84952149 573931483 /nfs/dbraw/zinc/93/14/83/573931483.db2.gz ZAOUDQKMMDOSQB-UHFFFAOYSA-N 1 0 198.697 2.409 10 0 AEAERO CCOC[C@H]([NH2+]C)C(C)(C)CC 131747773 573931485 /nfs/dbraw/zinc/93/14/85/573931485.db2.gz BLDVCPVFCQLYIA-VIFPVBQESA-N 1 0 173.300 2.047 10 0 AEAERO C[C@@H]1C[NH2+][C@@H]1c1ccc2c(c1)CCC2 259242421 573931514 /nfs/dbraw/zinc/93/15/14/573931514.db2.gz PFOBTOQHMDRDDU-RNCFNFMXSA-N 1 0 187.286 2.456 10 0 AEAERO COc1cccc([C@H]2C[C@H](C)[NH2+]2)c1 259242376 573931634 /nfs/dbraw/zinc/93/16/34/573931634.db2.gz PFDUXMKKMYTRRH-GZMMTYOYSA-N 1 0 177.247 2.118 10 0 AEAERO CCC[N@H+](CC1CC1)[C@@H](C)C(C)=O 42221323 573931656 /nfs/dbraw/zinc/93/16/56/573931656.db2.gz BCTKNLAHVOTWKA-VIFPVBQESA-N 1 0 183.295 2.086 10 0 AEAERO CCC[C@@H](O)[C@@H](CC)[N@H+](C)C1CCC1 127719115 573931681 /nfs/dbraw/zinc/93/16/81/573931681.db2.gz VMPHEMORANOXEJ-VXGBXAGGSA-N 1 0 199.338 2.410 10 0 AEAERO CCC[N@H+](CC1CC1)[C@@H](CN)C(C)C 42229286 573931684 /nfs/dbraw/zinc/93/16/84/573931684.db2.gz ASVLCVZRIRMUOW-LBPRGKRZSA-N 1 0 198.354 2.092 10 0 AEAERO CCc1ccc([C@H]([NH2+]C)C(C)=O)cc1 259243687 573931817 /nfs/dbraw/zinc/93/18/17/573931817.db2.gz GWOUAOSOXAJLEO-GFCCVEGCSA-N 1 0 191.274 2.099 10 0 AEAERO CCC/C=C\[C@@H]1CC[C@H](C)[NH2+]1 222663124 573932913 /nfs/dbraw/zinc/93/29/13/573932913.db2.gz FZTNFYUAQSOSJE-NRAIBSHISA-N 1 0 153.269 2.483 10 0 AEAERO CC1(C)C[NH2+][C@H](C(C)(C)C)OC1 258521753 573932669 /nfs/dbraw/zinc/93/26/69/573932669.db2.gz NEPTZONZEHOXCI-QMMMGPOBSA-N 1 0 171.284 2.005 10 0 AEAERO C[C@@H]1C[NH2+][C@H]1c1c[nH]c2ccccc12 259242661 573932684 /nfs/dbraw/zinc/93/26/84/573932684.db2.gz PIGFOASHWBKTKO-PRHODGIISA-N 1 0 186.258 2.448 10 0 AEAERO CC(C)C1([C@H](O)C(C)(C)C[NH3+])CCC1 686132201 573932989 /nfs/dbraw/zinc/93/29/89/573932989.db2.gz ICNQPPZETMCOTJ-SNVBAGLBSA-N 1 0 199.338 2.159 10 0 AEAERO FC(F)(C1CC[NH2+]CC1)C1CC1 257905198 573932934 /nfs/dbraw/zinc/93/29/34/573932934.db2.gz PPHCLFHHQLXBFZ-UHFFFAOYSA-N 1 0 175.222 2.031 10 0 AEAERO Cc1ccc([C@@H]2C[C@@H](C)[NH2+]2)cc1 259242539 573932740 /nfs/dbraw/zinc/93/27/40/573932740.db2.gz PHENBOIXECHUTL-KOLCDFICSA-N 1 0 161.248 2.418 10 0 AEAERO CCCCC[C@]1(O)C[C@@H](C)[N@H+](C)C1 127620948 573932770 /nfs/dbraw/zinc/93/27/70/573932770.db2.gz HVGARADZRTYZSL-MNOVXSKESA-N 1 0 185.311 2.022 10 0 AEAERO COc1cccc([C@@H]2C[C@H](C)[NH2+]2)c1 259242384 573932773 /nfs/dbraw/zinc/93/27/73/573932773.db2.gz PFDUXMKKMYTRRH-KWQFWETISA-N 1 0 177.247 2.118 10 0 AEAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccnn1C 127609690 573932808 /nfs/dbraw/zinc/93/28/08/573932808.db2.gz FXHDPYUXQBQVFD-MWLCHTKSSA-N 1 0 195.310 2.117 10 0 AEAERO C[C@@H]1C[NH2+][C@@H]1c1c[nH]c2ccccc12 259242656 573932825 /nfs/dbraw/zinc/93/28/25/573932825.db2.gz PIGFOASHWBKTKO-PELKAZGASA-N 1 0 186.258 2.448 10 0 AEAERO [NH3+]C1CC(O[C@@H]2C=CCCCCC2)C1 308465330 573932842 /nfs/dbraw/zinc/93/28/42/573932842.db2.gz WXAWHKQOEJEOQB-MOENNCHZSA-N 1 0 195.306 2.382 10 0 AEAERO [NH3+]CC1([C@H](F)c2ccccc2O)CC1 257905234 573932853 /nfs/dbraw/zinc/93/28/53/573932853.db2.gz ZHRNJHUHSXWQKB-SNVBAGLBSA-N 1 0 195.237 2.142 10 0 AEAERO C[NH2+]C[C@@H](C(=O)C1CCCC1)C(C)C 259242085 573932862 /nfs/dbraw/zinc/93/28/62/573932862.db2.gz VXHQUVLNLIMXRW-LLVKDONJSA-N 1 0 197.322 2.237 10 0 AEAERO [NH3+]CC1(c2ccccc2)CC(F)(F)C1 257905365 573934685 /nfs/dbraw/zinc/93/46/85/573934685.db2.gz ZKDASHDGLBHTHB-UHFFFAOYSA-N 1 0 197.228 2.312 10 0 AEAERO c1oc(C2CCCC2)nc1C1C[NH2+]C1 257905366 573934714 /nfs/dbraw/zinc/93/47/14/573934714.db2.gz ZKDOIRVRENNACI-UHFFFAOYSA-N 1 0 192.262 2.019 10 0 AEAERO [NH3+]Cc1ccccc1[C@@H]1CCCOC1 257905223 573934716 /nfs/dbraw/zinc/93/47/16/573934716.db2.gz ZHOSEOFZQNDGQX-LLVKDONJSA-N 1 0 191.274 2.039 10 0 AEAERO [NH3+]C1CC(O[C@H]2C=CCCCCC2)C1 308465327 573934732 /nfs/dbraw/zinc/93/47/32/573934732.db2.gz WXAWHKQOEJEOQB-CXQJBGSLSA-N 1 0 195.306 2.382 10 0 AEAERO CCC[NH2+][C@@H](C)CN1CC[C@H](CC)C1 127734163 573934734 /nfs/dbraw/zinc/93/47/34/573934734.db2.gz DDWVTEUNLKDYDF-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO Cc1[nH+]c(NCCCCF)ccc1N 308466136 573936348 /nfs/dbraw/zinc/93/63/48/573936348.db2.gz GGZWGARNULRNQV-UHFFFAOYSA-N 1 0 197.257 2.134 10 0 AEAERO CCC[C@@H](C)N(C)[C@H]1C[NH2+]C(C)(C)C1 131784033 573934763 /nfs/dbraw/zinc/93/47/63/573934763.db2.gz FVDPJGMEKAFMDS-GHMZBOCLSA-N 1 0 198.354 2.247 10 0 AEAERO C[NH2+]C[C@H](F)CC1CCSCC1 257905241 573934845 /nfs/dbraw/zinc/93/48/45/573934845.db2.gz ZHXKLFSSJXCLSW-SECBINFHSA-N 1 0 191.315 2.077 10 0 AEAERO CCC[C@@H](C)[NH2+][C@@H]1CC[C@H]([NH+](C)C)C1 131768877 573934778 /nfs/dbraw/zinc/93/47/78/573934778.db2.gz BXMSAXPYDSYKAL-UTUOFQBUSA-N 1 0 198.354 2.247 10 0 AEAERO CCCC1([C@@H]2CC[C@@H](C[NH3+])O2)CCC1 686132299 573934788 /nfs/dbraw/zinc/93/47/88/573934788.db2.gz ATJZTNKJWOXHFL-QWRGUYRKSA-N 1 0 197.322 2.463 10 0 AEAERO C(C[C@@H]1CC[C@H](C2CC2)O1)[NH2+]C1CC1 715379818 573934801 /nfs/dbraw/zinc/93/48/01/573934801.db2.gz AASAQZMVZQULKF-NWDGAFQWSA-N 1 0 195.306 2.086 10 0 AEAERO C[NH2+][C@H](C)c1cc(C2CCCC2)n[nH]1 257909399 573934817 /nfs/dbraw/zinc/93/48/17/573934817.db2.gz ZYFODVHSDVWRHC-MRVPVSSYSA-N 1 0 193.294 2.348 10 0 AEAERO CC[C@H](C)N(CC)[C@H]1C[NH2+]C(C)(C)C1 131776306 573934904 /nfs/dbraw/zinc/93/49/04/573934904.db2.gz BTKJRVCHNWCRPL-WDEREUQCSA-N 1 0 198.354 2.247 10 0 AEAERO CCOC[C@@H]([NH3+])C[C@@H](C)C(C)(C)C 131789410 573934917 /nfs/dbraw/zinc/93/49/17/573934917.db2.gz MINVKMVHXOSAMM-ZJUUUORDSA-N 1 0 187.327 2.423 10 0 AEAERO C[C@@H](c1cccc(N)c1)[N@H+](C)CCF 147578990 573934921 /nfs/dbraw/zinc/93/49/21/573934921.db2.gz BBVRVPGLSNAYAO-VIFPVBQESA-N 1 0 196.269 2.231 10 0 AEAERO CCCC1([C@@H](CO)[NH2+]C(C)C)CCC1 686132269 573934924 /nfs/dbraw/zinc/93/49/24/573934924.db2.gz OCAXZQPRRZTWKO-LLVKDONJSA-N 1 0 199.338 2.316 10 0 AEAERO C[C@@H]([NH3+])c1cc(C2(C)CCC2)no1 686132059 573934942 /nfs/dbraw/zinc/93/49/42/573934942.db2.gz DWRTUDUVNMJICU-SSDOTTSWSA-N 1 0 180.251 2.136 10 0 AEAERO CC(C)c1oc(CC[NH3+])nc1C1CC1 257905346 573935065 /nfs/dbraw/zinc/93/50/65/573935065.db2.gz ZJOOLKPQSMZQLB-UHFFFAOYSA-N 1 0 194.278 2.177 10 0 AEAERO CCC[C@@H](C)[N@H+](C[C@H](C)O)C1CC1 308465659 573935076 /nfs/dbraw/zinc/93/50/76/573935076.db2.gz IYQVODBRTQPKOZ-ZJUUUORDSA-N 1 0 185.311 2.020 10 0 AEAERO CC(C)[C@H](O)C[NH+]1CCCCCCC1 87537876 573935078 /nfs/dbraw/zinc/93/50/78/573935078.db2.gz RZYOUEZGSVTXTI-GFCCVEGCSA-N 1 0 199.338 2.269 10 0 AEAERO CC1([C@@H]2[NH2+]CC23CCC3)CCC1 686132212 573935080 /nfs/dbraw/zinc/93/50/80/573935080.db2.gz NLDCMSAZKZNKTJ-VIFPVBQESA-N 1 0 165.280 2.319 10 0 AEAERO [NH3+]CC1([C@@H](F)c2ccccc2O)CC1 257905231 573935086 /nfs/dbraw/zinc/93/50/86/573935086.db2.gz ZHRNJHUHSXWQKB-JTQLQIEISA-N 1 0 195.237 2.142 10 0 AEAERO C[C@H](CCC[NH3+])OCCC(F)(F)F 131772709 573935091 /nfs/dbraw/zinc/93/50/91/573935091.db2.gz IITKTMDFTVHICN-SSDOTTSWSA-N 1 0 199.216 2.083 10 0 AEAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccnn1C 127609915 573935122 /nfs/dbraw/zinc/93/51/22/573935122.db2.gz FXHDPYUXQBQVFD-GXSJLCMTSA-N 1 0 195.310 2.117 10 0 AEAERO CC1([C@@H]2CC[C@@H](CC[NH3+])O2)CCC1 686132141 573935144 /nfs/dbraw/zinc/93/51/44/573935144.db2.gz GFDGVWRYBMARCG-UWVGGRQHSA-N 1 0 183.295 2.073 10 0 AEAERO CCC[C@H](C)[N@H+](C[C@H](C)O)C1CC1 308465652 573935215 /nfs/dbraw/zinc/93/52/15/573935215.db2.gz IYQVODBRTQPKOZ-UWVGGRQHSA-N 1 0 185.311 2.020 10 0 AEAERO CCC[NH2+][C@H](C)CN1CC[C@H](CC)C1 127734396 573935240 /nfs/dbraw/zinc/93/52/40/573935240.db2.gz DDWVTEUNLKDYDF-NEPJUHHUSA-N 1 0 198.354 2.106 10 0 AEAERO CCC(=[NH2+])NC[C@H](C)C(C)C 81120801 573935249 /nfs/dbraw/zinc/93/52/49/573935249.db2.gz GXNOYKBKXRZAHZ-QMMMGPOBSA-N 1 0 156.273 2.255 10 0 AEAERO CC(C)[C@@H](O)C[NH+]1CCCCCCC1 87537878 573935250 /nfs/dbraw/zinc/93/52/50/573935250.db2.gz RZYOUEZGSVTXTI-LBPRGKRZSA-N 1 0 199.338 2.269 10 0 AEAERO CCC[N@H+](C[C@@H](N)CC1CC1)C(C)C 308465307 573935287 /nfs/dbraw/zinc/93/52/87/573935287.db2.gz HQRKPCJPHBITIM-LBPRGKRZSA-N 1 0 198.354 2.234 10 0 AEAERO CCC[C@H](F)CC1([NH3+])CC1 258460345 573935317 /nfs/dbraw/zinc/93/53/17/573935317.db2.gz GZWBPMKNVHIYFS-ZETCQYMHSA-N 1 0 145.221 2.006 10 0 AEAERO Cc1oncc1C[NH2+]C1CCCC1 585365158 573935344 /nfs/dbraw/zinc/93/53/44/573935344.db2.gz LMWCWHRBFSXCJT-UHFFFAOYSA-N 1 0 180.251 2.015 10 0 AEAERO CCCCC[NH2+]Cc1cnoc1C 585365180 573935360 /nfs/dbraw/zinc/93/53/60/573935360.db2.gz OVPBRCUZJWULCD-UHFFFAOYSA-N 1 0 182.267 2.263 10 0 AEAERO C[C@H]1C[NH2+][C@H]1c1c[nH]c2ccccc12 259242666 573935372 /nfs/dbraw/zinc/93/53/72/573935372.db2.gz PIGFOASHWBKTKO-QPUJVOFHSA-N 1 0 186.258 2.448 10 0 AEAERO C[NH2+][C@H](C)/C(C)=C/[C@H]1CCSC1 224759289 573935434 /nfs/dbraw/zinc/93/54/34/573935434.db2.gz ZWKJZRFNRYYXQJ-IZRRHEBBSA-N 1 0 185.336 2.294 10 0 AEAERO CC[NH2+][C@@H](COC1CCC1)C(C)C 87534407 573935496 /nfs/dbraw/zinc/93/54/96/573935496.db2.gz MQHJRPXISIXNSF-NSHDSACASA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@@H](C)N(CC)[C@H]1C[NH2+]C(C)(C)C1 131776111 573935530 /nfs/dbraw/zinc/93/55/30/573935530.db2.gz BTKJRVCHNWCRPL-GHMZBOCLSA-N 1 0 198.354 2.247 10 0 AEAERO CCc1cccc(C(C)(C)[NH3+])c1 87537604 573935650 /nfs/dbraw/zinc/93/56/50/573935650.db2.gz NGPNLBXYQYBVIV-UHFFFAOYSA-N 1 0 163.264 2.443 10 0 AEAERO Cc1cc(C[NH2+][C@H](C)C2(C)CC2)on1 44986303 573935731 /nfs/dbraw/zinc/93/57/31/573935731.db2.gz YDVGKEOBAHOFQZ-SECBINFHSA-N 1 0 194.278 2.261 10 0 AEAERO CC[C@@H](C)[C@@H](O)C[NH+]1CCC(C)CC1 87537603 573935786 /nfs/dbraw/zinc/93/57/86/573935786.db2.gz UYMWSLYIDDFSGY-NEPJUHHUSA-N 1 0 199.338 2.125 10 0 AEAERO CCOC[C@H]([NH3+])c1cccc(C)c1F 131754834 573935795 /nfs/dbraw/zinc/93/57/95/573935795.db2.gz CXSKLHOBXPRCFB-JTQLQIEISA-N 1 0 197.253 2.170 10 0 AEAERO CCN(CC(C)C)[C@H]1C[NH2+]C(C)(C)C1 131774369 573935879 /nfs/dbraw/zinc/93/58/79/573935879.db2.gz BQJKAYVUNALIHD-LLVKDONJSA-N 1 0 198.354 2.105 10 0 AEAERO CCCC1([C@H](CO)[NH2+]C(C)C)CCC1 686132270 573935887 /nfs/dbraw/zinc/93/58/87/573935887.db2.gz OCAXZQPRRZTWKO-NSHDSACASA-N 1 0 199.338 2.316 10 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/nfs/dbraw/zinc/01/72/41/574017241.db2.gz RRQIJRHGBUODQN-SNVBAGLBSA-N 1 0 173.300 2.047 10 0 AEAERO CC[NH2+][C@]1(C(F)F)CCC[C@@H]1C 87689117 574017266 /nfs/dbraw/zinc/01/72/66/574017266.db2.gz XKQSDIKTLODQJP-IONNQARKSA-N 1 0 177.238 2.420 10 0 AEAERO COc1c(F)cc(F)cc1[C@@H]1CC[NH2+]1 104500972 574017281 /nfs/dbraw/zinc/01/72/81/574017281.db2.gz QIKPTFKCDSCVEW-VIFPVBQESA-N 1 0 199.200 2.008 10 0 AEAERO COc1c(F)cc(F)cc1[C@H]1CC[NH2+]1 104500978 574017296 /nfs/dbraw/zinc/01/72/96/574017296.db2.gz QIKPTFKCDSCVEW-SECBINFHSA-N 1 0 199.200 2.008 10 0 AEAERO CC(C)c1ccc(N)c([C@@H]2CC[NH2+]2)c1 104502606 574017317 /nfs/dbraw/zinc/01/73/17/574017317.db2.gz KVAIUXGXZMYLJL-LBPRGKRZSA-N 1 0 190.290 2.427 10 0 AEAERO Cc1ccc([C@@H]([NH3+])CC2CC2)c(N)c1 104503715 574017337 /nfs/dbraw/zinc/01/73/37/574017337.db2.gz YZRNNIPEWPMNQK-LBPRGKRZSA-N 1 0 190.290 2.377 10 0 AEAERO CC[C@@H]([NH3+])c1cc(F)cnc1Cl 104502480 574017381 /nfs/dbraw/zinc/01/73/81/574017381.db2.gz YULUONGTPOQNII-SSDOTTSWSA-N 1 0 188.633 2.284 10 0 AEAERO CCC1(/C=C\CC[NH3+])CCC1 686130303 574017391 /nfs/dbraw/zinc/01/73/91/574017391.db2.gz QWLBNWRAQQYJAI-UTCJRWHESA-N 1 0 153.269 2.472 10 0 AEAERO CC[NH2+][C@]1(C(F)F)CCC[C@H]1C 87689119 574017421 /nfs/dbraw/zinc/01/74/21/574017421.db2.gz XKQSDIKTLODQJP-VXNVDRBHSA-N 1 0 177.238 2.420 10 0 AEAERO NC(=[NH2+])C1CCCCCCC1 87689962 574017425 /nfs/dbraw/zinc/01/74/25/574017425.db2.gz GALUBDKEPAIJRX-UHFFFAOYSA-N 1 0 154.257 2.283 10 0 AEAERO [NH3+][C@@H](c1ccc2c(c1)CCN2)C1CC1 104500437 574017475 /nfs/dbraw/zinc/01/74/75/574017475.db2.gz FSIPSCHXEFLMQG-GFCCVEGCSA-N 1 0 188.274 2.064 10 0 AEAERO CC[C@@H]([NH3+])c1cnc(F)c(Cl)c1 104503531 574017478 /nfs/dbraw/zinc/01/74/78/574017478.db2.gz NKYXEKIEHIVQQB-SSDOTTSWSA-N 1 0 188.633 2.284 10 0 AEAERO CC[C@@H]([NH3+])c1ccc(Cl)cc1N 104501100 574017505 /nfs/dbraw/zinc/01/75/05/574017505.db2.gz QKPUAXUIISGGRO-MRVPVSSYSA-N 1 0 184.670 2.332 10 0 AEAERO Cc1cc([C@H]2CCCC[NH2+]2)ccc1N 104500619 574017514 /nfs/dbraw/zinc/01/75/14/574017514.db2.gz LCEJLZPQESQRDY-GFCCVEGCSA-N 1 0 190.290 2.392 10 0 AEAERO CCC[NH2+]C(C)(C)C(F)F 87689364 574017571 /nfs/dbraw/zinc/01/75/71/574017571.db2.gz DBWFQUHTUUVZPS-UHFFFAOYSA-N 1 0 151.200 2.030 10 0 AEAERO [NH3+][C@@H]1CCc2cc(F)c(Cl)cc2C1 104500080 574017577 /nfs/dbraw/zinc/01/75/77/574017577.db2.gz RNIXVJNVFOYZDH-MRVPVSSYSA-N 1 0 199.656 2.295 10 0 AEAERO COc1cc([C@@H]2CC[NH2+]2)cc(F)c1F 104500992 574017581 /nfs/dbraw/zinc/01/75/81/574017581.db2.gz DFHWHEGAQWGRGF-QMMMGPOBSA-N 1 0 199.200 2.008 10 0 AEAERO [NH3+][C@H](c1ccc2c(c1)CCN2)C1CC1 104503508 574017582 /nfs/dbraw/zinc/01/75/82/574017582.db2.gz FSIPSCHXEFLMQG-LBPRGKRZSA-N 1 0 188.274 2.064 10 0 AEAERO CCC(CC)C[C@H]([NH3+])c1ccn(C)n1 128140343 574017620 /nfs/dbraw/zinc/01/76/20/574017620.db2.gz JYHRRIUXTJEJGE-JTQLQIEISA-N 1 0 195.310 2.246 10 0 AEAERO CC[C@@H]([NH3+])c1cc(Cl)cnc1F 104503545 574017622 /nfs/dbraw/zinc/01/76/22/574017622.db2.gz RGQKAFSBRKIJNB-SSDOTTSWSA-N 1 0 188.633 2.284 10 0 AEAERO COc1c(Cl)ccc2c1CC[C@@H]2[NH3+] 104499811 574017630 /nfs/dbraw/zinc/01/76/30/574017630.db2.gz YDMGGTZPXUXOBQ-VIFPVBQESA-N 1 0 197.665 2.295 10 0 AEAERO C[NH2+][C@@H](c1ccoc1)[C@H]1CCCS1 87712377 574021258 /nfs/dbraw/zinc/02/12/58/574021258.db2.gz QUIMBIFVSYOBOF-ZJUUUORDSA-N 1 0 197.303 2.436 10 0 AEAERO CC(C)Oc1ccc2c(c1)CC[C@H]2[NH3+] 104509342 574019193 /nfs/dbraw/zinc/01/91/93/574019193.db2.gz GXSQCZRBFGYKAL-GFCCVEGCSA-N 1 0 191.274 2.420 10 0 AEAERO CC(C)C[C@](C)(O)C[NH2+][C@@H](C)C1CC1 85230093 574019479 /nfs/dbraw/zinc/01/94/79/574019479.db2.gz ZGTZDBWDIGSXHI-JQWIXIFHSA-N 1 0 199.338 2.172 10 0 AEAERO F[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1 585385681 574019489 /nfs/dbraw/zinc/01/94/89/574019489.db2.gz FRWYPNGZXOHMEO-GHMZBOCLSA-N 1 0 194.253 2.062 10 0 AEAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cnccn1 128085943 574019562 /nfs/dbraw/zinc/01/95/62/574019562.db2.gz CRWMLERLPCCIGP-MWLCHTKSSA-N 1 0 193.294 2.173 10 0 AEAERO [NH3+][C@@H]1CCc2c(cccc2C(F)F)C1 104504670 574019198 /nfs/dbraw/zinc/01/91/98/574019198.db2.gz SBOKRAXITKOSKY-MRVPVSSYSA-N 1 0 197.228 2.440 10 0 AEAERO CC[NH2+][C@](C)(C(C)C)C(F)F 87688958 574019229 /nfs/dbraw/zinc/01/92/29/574019229.db2.gz ISFVURFDRULVTL-MRVPVSSYSA-N 1 0 165.227 2.276 10 0 AEAERO [NH3+][C@@H](CC1CC1)c1c(F)cncc1F 104504774 574019230 /nfs/dbraw/zinc/01/92/30/574019230.db2.gz SYVJRBWNFJCJJA-VIFPVBQESA-N 1 0 198.216 2.160 10 0 AEAERO COC[C@H](C)C1(C[NH2+]CC(C)C)CC1 128137379 574019307 /nfs/dbraw/zinc/01/93/07/574019307.db2.gz KHDULNCVJQZEGC-NSHDSACASA-N 1 0 199.338 2.295 10 0 AEAERO CCC(CC)C[C@@H]([NH3+])c1ccn(C)n1 128140524 574019343 /nfs/dbraw/zinc/01/93/43/574019343.db2.gz JYHRRIUXTJEJGE-SNVBAGLBSA-N 1 0 195.310 2.246 10 0 AEAERO COc1c(C)cc2c(c1C)[C@H]([NH3+])CC2 104508656 574019370 /nfs/dbraw/zinc/01/93/70/574019370.db2.gz KECZEWZWMYXKPV-SNVBAGLBSA-N 1 0 191.274 2.258 10 0 AEAERO COc1ccc([C@H]([NH3+])C(C)C)c(C)n1 104507778 574019373 /nfs/dbraw/zinc/01/93/73/574019373.db2.gz OWUPMRMIOFGTCI-LLVKDONJSA-N 1 0 194.278 2.054 10 0 AEAERO c1cc2c(cc1[C@@H]1CC[NH2+]1)CCCN2 104504414 574019384 /nfs/dbraw/zinc/01/93/84/574019384.db2.gz NKFIRAUQHVAKOO-LBPRGKRZSA-N 1 0 188.274 2.079 10 0 AEAERO CCCC1([C@@H](O)[C@H](CC)C[NH3+])CCC1 686126886 574019537 /nfs/dbraw/zinc/01/95/37/574019537.db2.gz RIPZPXYRYPTRIS-MNOVXSKESA-N 1 0 199.338 2.303 10 0 AEAERO Cc1ccc([C@H]([NH3+])C(C)C)cc1N 104505764 574019432 /nfs/dbraw/zinc/01/94/32/574019432.db2.gz OILLBZUDRMTLMY-LLVKDONJSA-N 1 0 178.279 2.233 10 0 AEAERO CCC[NH2+]CC1([C@H](C)COC)CC1 128133361 574019461 /nfs/dbraw/zinc/01/94/61/574019461.db2.gz XNPOVAPVNPJBJR-SNVBAGLBSA-N 1 0 185.311 2.049 10 0 AEAERO CC[C@H](C[NH2+]C)C(=O)c1ccc(C)o1 259277587 574022195 /nfs/dbraw/zinc/02/21/95/574022195.db2.gz YTXCFABTJAXZRZ-SECBINFHSA-N 1 0 195.262 2.016 10 0 AEAERO C[NH2+][C@@H](c1ccco1)[C@@H]1CCCS1 87712059 574021220 /nfs/dbraw/zinc/02/12/20/574021220.db2.gz UVXMYVATHVSMRF-UWVGGRQHSA-N 1 0 197.303 2.436 10 0 AEAERO CSc1ncc(C[C@H](C)[NH3+])cc1C 87720766 574022198 /nfs/dbraw/zinc/02/21/98/574022198.db2.gz UDECVIBPSQCEIE-QMMMGPOBSA-N 1 0 196.319 2.002 10 0 AEAERO [NH3+][C@H](CC1CC1)[C@@H]1CCCCS1 87713530 574021229 /nfs/dbraw/zinc/02/12/29/574021229.db2.gz SFEPSTCNVRTONE-ZJUUUORDSA-N 1 0 185.336 2.400 10 0 AEAERO [NH3+][C@@H]1CCCc2c1cc(O)c(F)c2F 104512482 574021263 /nfs/dbraw/zinc/02/12/63/574021263.db2.gz RKLHXJQYJBEKOI-SSDOTTSWSA-N 1 0 199.200 2.007 10 0 AEAERO CC[NH2+][C@@H](C(F)F)C1(C)CCC1 686130331 574021266 /nfs/dbraw/zinc/02/12/66/574021266.db2.gz RGZQBUNKPRVSKS-ZETCQYMHSA-N 1 0 177.238 2.420 10 0 AEAERO CC[NH2+][C@@H](CC)[C@@H]1CCCS1 87712654 574021239 /nfs/dbraw/zinc/02/12/39/574021239.db2.gz KSAWICLGZLKZNN-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO CCC[C@H]([NH2+]C)[C@@H]1CCCS1 87712175 574021242 /nfs/dbraw/zinc/02/12/42/574021242.db2.gz RVGVYJCUEFJCDQ-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO C[NH2+][C@H](C1CC1)[C@H]1CCCCS1 87714100 574021283 /nfs/dbraw/zinc/02/12/83/574021283.db2.gz WJKFSMBEZLMKBO-NXEZZACHSA-N 1 0 185.336 2.270 10 0 AEAERO CC(C)CNC(=[NH2+])[C@@H]1CCCS1 87716652 574021289 /nfs/dbraw/zinc/02/12/89/574021289.db2.gz BUMLWTYZSVTMQZ-QMMMGPOBSA-N 1 0 186.324 2.105 10 0 AEAERO Cc1c(N)ccc([C@@H](C)[NH3+])c1Cl 104508345 574021007 /nfs/dbraw/zinc/02/10/07/574021007.db2.gz IILLPNPMHXVAJP-ZCFIWIBFSA-N 1 0 184.670 2.250 10 0 AEAERO C[NH2+][C@H](c1ccco1)[C@@H]1CCCS1 87712060 574021011 /nfs/dbraw/zinc/02/10/11/574021011.db2.gz UVXMYVATHVSMRF-VHSXEESVSA-N 1 0 197.303 2.436 10 0 AEAERO CC[NH2+][C@@H](C)[C@H]1CCCCS1 87714559 574021048 /nfs/dbraw/zinc/02/10/48/574021048.db2.gz UFQREKYCZYMTOB-DTWKUNHWSA-N 1 0 173.325 2.270 10 0 AEAERO CC[NH2+][C@H](CC)[C@H]1CCCS1 87712657 574021051 /nfs/dbraw/zinc/02/10/51/574021051.db2.gz KSAWICLGZLKZNN-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO CC[C@@H]([NH3+])c1cc(C)c(N)cc1F 104509091 574021055 /nfs/dbraw/zinc/02/10/55/574021055.db2.gz VIYQOQOIBGOLBS-SECBINFHSA-N 1 0 182.242 2.126 10 0 AEAERO [NH3+][C@H](c1ccoc1)[C@@H]1CCCS1 87711637 574021062 /nfs/dbraw/zinc/02/10/62/574021062.db2.gz JRLVCGOTFNXWPM-DTWKUNHWSA-N 1 0 183.276 2.175 10 0 AEAERO CC(C)CNC(=[NH2+])[C@H]1CCCS1 87716654 574021088 /nfs/dbraw/zinc/02/10/88/574021088.db2.gz BUMLWTYZSVTMQZ-MRVPVSSYSA-N 1 0 186.324 2.105 10 0 AEAERO CC[NH2+][C@H](C(F)F)C1(C)CCC1 686130328 574021091 /nfs/dbraw/zinc/02/10/91/574021091.db2.gz RGZQBUNKPRVSKS-SSDOTTSWSA-N 1 0 177.238 2.420 10 0 AEAERO CC(C)(C)[C@H]([NH3+])[C@H]1CCCS1 87705627 574021104 /nfs/dbraw/zinc/02/11/04/574021104.db2.gz YLFQATVYEXOQAN-HTQZYQBOSA-N 1 0 173.325 2.255 10 0 AEAERO [NH3+][C@@H](c1ccco1)[C@H]1CCCS1 87705291 574021115 /nfs/dbraw/zinc/02/11/15/574021115.db2.gz NIHQMWAJQVYPCH-BDAKNGLRSA-N 1 0 183.276 2.175 10 0 AEAERO C[NH2+][C@H](C=C(C)C)[C@@H]1CCCS1 87712008 574021140 /nfs/dbraw/zinc/02/11/40/574021140.db2.gz QQPXVFJGDKUTDB-ZJUUUORDSA-N 1 0 185.336 2.436 10 0 AEAERO [NH3+][C@@H](C1CCCC1)[C@H]1CCCS1 87705947 574021166 /nfs/dbraw/zinc/02/11/66/574021166.db2.gz PPCNJWXNZAPQDB-ZJUUUORDSA-N 1 0 185.336 2.400 10 0 AEAERO C[NH2+][C@@H](c1ccoc1)[C@@H]1CCCS1 87712375 574021204 /nfs/dbraw/zinc/02/12/04/574021204.db2.gz QUIMBIFVSYOBOF-UWVGGRQHSA-N 1 0 197.303 2.436 10 0 AEAERO CC[C@@H]([NH3+])[C@@H]1CCCCS1 87713335 574021180 /nfs/dbraw/zinc/02/11/80/574021180.db2.gz HYRLAXLJIODSKJ-SFYZADRCSA-N 1 0 159.298 2.009 10 0 AEAERO [NH3+][C@@H](CC1CC1)[C@@H]1CCCCS1 87713532 574021184 /nfs/dbraw/zinc/02/11/84/574021184.db2.gz SFEPSTCNVRTONE-UWVGGRQHSA-N 1 0 185.336 2.400 10 0 AEAERO CC(C)(C)[C@H]([NH3+])[C@@H]1CCCS1 87705624 574021192 /nfs/dbraw/zinc/02/11/92/574021192.db2.gz YLFQATVYEXOQAN-JGVFFNPUSA-N 1 0 173.325 2.255 10 0 AEAERO [NH3+][C@@H](c1ccoc1)[C@H]1CCCS1 87711638 574021311 /nfs/dbraw/zinc/02/13/11/574021311.db2.gz JRLVCGOTFNXWPM-BDAKNGLRSA-N 1 0 183.276 2.175 10 0 AEAERO CCC(CC)C[C@H]([NH2+]C)[C@@H]1CCOC1 128147055 574023013 /nfs/dbraw/zinc/02/30/13/574023013.db2.gz GCCKPOQOAJWSLD-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO CCC[C@@H]([NH3+])c1ccc(N)cc1F 104514049 574023019 /nfs/dbraw/zinc/02/30/19/574023019.db2.gz JJORFHZNLMUBAV-SNVBAGLBSA-N 1 0 182.242 2.208 10 0 AEAERO CC[C@@H](C)[N@@H+]1CC[C@@H](O)CC1(C)C 259277867 574023031 /nfs/dbraw/zinc/02/30/31/574023031.db2.gz GKOUYDZQVAJQGV-NXEZZACHSA-N 1 0 185.311 2.020 10 0 AEAERO CC[C@@H]([NH3+])c1ccc(NC)cc1 104511448 574023268 /nfs/dbraw/zinc/02/32/68/574023268.db2.gz UHHPMUDNJMDMRE-SNVBAGLBSA-N 1 0 164.252 2.138 10 0 AEAERO [NH3+][C@@H](c1cnccc1Cl)C1CC1 104514122 574023330 /nfs/dbraw/zinc/02/33/30/574023330.db2.gz SJXUBOBPXGHFFV-SECBINFHSA-N 1 0 182.654 2.145 10 0 AEAERO C[NH2+][C@H](O)c1csc2ccccc12 259278916 574023332 /nfs/dbraw/zinc/02/33/32/574023332.db2.gz IFCJIEZIPKWJKM-SNVBAGLBSA-N 1 0 193.271 2.112 10 0 AEAERO Cc1ncccc1[C@H]([NH3+])C(C)C 104515684 574023358 /nfs/dbraw/zinc/02/33/58/574023358.db2.gz SYJHERWSBVBJPW-SNVBAGLBSA-N 1 0 164.252 2.046 10 0 AEAERO Cc1cc2c(cc1F)[C@H]([NH3+])CC2 104511722 574023388 /nfs/dbraw/zinc/02/33/88/574023388.db2.gz VPCMOOYDMVKPBO-SNVBAGLBSA-N 1 0 165.211 2.080 10 0 AEAERO CCSc1ncc(C[NH2+]C)cc1C 87719869 574023408 /nfs/dbraw/zinc/02/34/08/574023408.db2.gz RFTKAHYWCCUDTM-UHFFFAOYSA-N 1 0 196.319 2.221 10 0 AEAERO CC(C)CCC[C@@H](C)N1CCC(=O)C1 42590063 574026663 /nfs/dbraw/zinc/02/66/63/574026663.db2.gz AOAGASDYFLNWRT-LLVKDONJSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CS1 85302775 574029009 /nfs/dbraw/zinc/02/90/09/574029009.db2.gz WHGKGERXSBKKJS-JGVFFNPUSA-N 1 0 173.325 2.126 10 0 AEAERO C[NH2+][C@@H]1CCC[C@@H]1CCOC(C)C 49260418 574024857 /nfs/dbraw/zinc/02/48/57/574024857.db2.gz QMHREPANUZFNHI-GHMZBOCLSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc[nH]n2)C1 223749053 574024206 /nfs/dbraw/zinc/02/42/06/574024206.db2.gz JZNNSUUBEUKKAV-BBBLOLIVSA-N 1 0 193.294 2.249 10 0 AEAERO C[C@@H]1C[C@@H](c2cccs2)[NH2+]1 259277219 574024227 /nfs/dbraw/zinc/02/42/27/574024227.db2.gz REQNUKQNFMWYCX-RQJHMYQMSA-N 1 0 153.250 2.171 10 0 AEAERO Cc1cc([C@H]([NH3+])C(C)C)ccn1 104518509 574024236 /nfs/dbraw/zinc/02/42/36/574024236.db2.gz ZTKHIODSNIGADA-SNVBAGLBSA-N 1 0 164.252 2.046 10 0 AEAERO CC[NH2+]CCCCc1ccccc1O 35940118 574024279 /nfs/dbraw/zinc/02/42/79/574024279.db2.gz WALRHQFZCNLELL-UHFFFAOYSA-N 1 0 193.290 2.324 10 0 AEAERO C[C@@H](C[NH3+])CCN(C)c1cccs1 259033114 574024296 /nfs/dbraw/zinc/02/42/96/574024296.db2.gz ZXTOXOQHMXTPRH-SECBINFHSA-N 1 0 198.335 2.169 10 0 AEAERO CC(C)CCC[C@@H](C)N1CC[NH2+]CC1 42590307 574024350 /nfs/dbraw/zinc/02/43/50/574024350.db2.gz IBHOWLRHSLTKSD-GFCCVEGCSA-N 1 0 198.354 2.106 10 0 AEAERO CN(C)c1ccc([C@H]([NH3+])C2CC2)s1 104522321 574024357 /nfs/dbraw/zinc/02/43/57/574024357.db2.gz HERVGYAYGZVMNK-SNVBAGLBSA-N 1 0 196.319 2.224 10 0 AEAERO C[NH2+][C@H](C)c1cccc(F)c1C 104520082 574024831 /nfs/dbraw/zinc/02/48/31/574024831.db2.gz UOGCFBHREXNRIH-MRVPVSSYSA-N 1 0 167.227 2.415 10 0 AEAERO CC(C)C[C@H](C)N(C)CC[NH2+]C1CC1 42590227 574024434 /nfs/dbraw/zinc/02/44/34/574024434.db2.gz FOHVGEARPHJQTM-NSHDSACASA-N 1 0 198.354 2.105 10 0 AEAERO Cc1cc(F)c([C@@H](C)[NH3+])c(F)c1F 104517754 574024461 /nfs/dbraw/zinc/02/44/61/574024461.db2.gz APXMXTJOBYUKRV-RXMQYKEDSA-N 1 0 189.180 2.432 10 0 AEAERO CC(C)n1cccc1[C@@H](C)[NH3+] 104523228 574024487 /nfs/dbraw/zinc/02/44/87/574024487.db2.gz JURJKGVTRANDSW-MRVPVSSYSA-N 1 0 152.241 2.089 10 0 AEAERO C[NH2+][C@@H](O)c1csc2ccccc12 259278913 574024518 /nfs/dbraw/zinc/02/45/18/574024518.db2.gz IFCJIEZIPKWJKM-JTQLQIEISA-N 1 0 193.271 2.112 10 0 AEAERO CC(C)CCC[C@H](C)N1CC[NH2+]CC1 42590310 574024532 /nfs/dbraw/zinc/02/45/32/574024532.db2.gz IBHOWLRHSLTKSD-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO Cc1nc(/C=C2/CC[C@@H]([NH3+])C2)cs1 211433037 574024543 /nfs/dbraw/zinc/02/45/43/574024543.db2.gz UUAYLBAGGIXCJR-BZJXQOFCSA-N 1 0 194.303 2.346 10 0 AEAERO C[NH2+][C@H](C)c1c(F)ccc(F)c1F 104518629 574024544 /nfs/dbraw/zinc/02/45/44/574024544.db2.gz LAIKKLPYVOGPPD-RXMQYKEDSA-N 1 0 189.180 2.384 10 0 AEAERO COc1cc2c(cc1[C@@H](C)[NH3+])CCC2 104520941 574024554 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183.295 2.073 10 0 AEAERO C[NH2+][C@H](C)c1cc(C)c(O)c(C)c1 104518618 574025786 /nfs/dbraw/zinc/02/57/86/574025786.db2.gz KKYBQDGDZWKFCG-SECBINFHSA-N 1 0 179.263 2.289 10 0 AEAERO C[NH2+][C@H](C)c1cccc(C(C)=O)c1 104523712 574025843 /nfs/dbraw/zinc/02/58/43/574025843.db2.gz DWDYETKWJMWWRB-MRVPVSSYSA-N 1 0 177.247 2.170 10 0 AEAERO C[C@]1([C@H]([NH3+])c2ccco2)CCCCO1 87762731 574025844 /nfs/dbraw/zinc/02/58/44/574025844.db2.gz KDUBJNCGQSRHIC-GHMZBOCLSA-N 1 0 195.262 2.239 10 0 AEAERO C[NH2+][C@H](C)c1cccc2[nH]ccc12 104519251 574025846 /nfs/dbraw/zinc/02/58/46/574025846.db2.gz VEQIWALQVCLKML-MRVPVSSYSA-N 1 0 174.247 2.448 10 0 AEAERO CCC[C@H]([NH3+])[C@@]1(C)CCCCO1 87763144 574027522 /nfs/dbraw/zinc/02/75/22/574027522.db2.gz VOFGAPXYUKIVIF-VHSXEESVSA-N 1 0 171.284 2.073 10 0 AEAERO C[NH2+][C@H](C)c1ccc2cc[nH]c2c1 104520847 574025870 /nfs/dbraw/zinc/02/58/70/574025870.db2.gz AVWWEPJRXONOFT-MRVPVSSYSA-N 1 0 174.247 2.448 10 0 AEAERO CCCCOCC[NH2+]CC1CCC1 49262046 574025872 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2.239 10 0 AEAERO C[NH2+][C@H](C)c1cc2c([nH]1)CCCC2 104524112 574026058 /nfs/dbraw/zinc/02/60/58/574026058.db2.gz JRTSVCYYKDZHCI-MRVPVSSYSA-N 1 0 178.279 2.174 10 0 AEAERO CC[C@@H](CCOC(C)C)[C@H](C)[NH3+] 49260376 574026076 /nfs/dbraw/zinc/02/60/76/574026076.db2.gz DXRKHFKUQSYKBE-UWVGGRQHSA-N 1 0 173.300 2.175 10 0 AEAERO C[NH2+][C@H](C)[C@@H](C)CCOC(C)C 49260353 574026078 /nfs/dbraw/zinc/02/60/78/574026078.db2.gz NSKFEPQRMIYJLG-VHSXEESVSA-N 1 0 173.300 2.046 10 0 AEAERO Cc1cnc(F)c([C@H]([NH3+])C(C)C)c1 104518502 574026093 /nfs/dbraw/zinc/02/60/93/574026093.db2.gz UFABKNLUXYBGSA-SECBINFHSA-N 1 0 182.242 2.185 10 0 AEAERO Cc1ccc(C)c(CSCC[NH3+])c1 49256911 574026094 /nfs/dbraw/zinc/02/60/94/574026094.db2.gz WNNDOAWLMLSYKC-UHFFFAOYSA-N 1 0 195.331 2.495 10 0 AEAERO CC[C@@H](C[NH2+]C)CC1CCC1 259279384 574026127 /nfs/dbraw/zinc/02/61/27/574026127.db2.gz JGBWQSLYYMEWTH-SECBINFHSA-N 1 0 155.285 2.422 10 0 AEAERO C[NH2+][C@@H](CCCOC(C)C)C(C)C 49260341 574026131 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CC[C@H](C)[C@@H]1[NH2+][C@H](C)CCS1 85318813 574034993 /nfs/dbraw/zinc/03/49/93/574034993.db2.gz UEIUPWHMYAIGAB-DJLDLDEBSA-N 1 0 173.325 2.474 10 0 AEAERO CCC[C@H]1C[NH2+]CC[C@@H]1C 112236735 574035021 /nfs/dbraw/zinc/03/50/21/574035021.db2.gz GOABJDKIYGFRPL-IUCAKERBSA-N 1 0 141.258 2.032 10 0 AEAERO CC(C)C[C@H]1[NH2+][C@H](C)CCS1 85318466 574035030 /nfs/dbraw/zinc/03/50/30/574035030.db2.gz CMTXPEHDQCUKFW-BDAKNGLRSA-N 1 0 173.325 2.474 10 0 AEAERO CC[C@@H]1CS[C@H](C(C)C)[NH2+]1 85347090 574040124 /nfs/dbraw/zinc/04/01/24/574040124.db2.gz CWCMMULNOXTVGM-HTQZYQBOSA-N 1 0 159.298 2.084 10 0 AEAERO CCCC[C@@H](C)C[NH2+][C@@H](CC)CN 393609061 574035429 /nfs/dbraw/zinc/03/54/29/574035429.db2.gz DHGBYSLTQGQLPE-MNOVXSKESA-N 1 0 186.343 2.140 10 0 AEAERO CC(C)[C@H]1[NH2+][C@@H](C)CCS1 85318487 574035289 /nfs/dbraw/zinc/03/52/89/574035289.db2.gz UDLUMDAMSKVQPV-YUMQZZPRSA-N 1 0 159.298 2.084 10 0 AEAERO CCC[C@@H](C[NH2+]C)c1ccncc1 259288919 574035372 /nfs/dbraw/zinc/03/53/72/574035372.db2.gz RVIQRIJVTPIQEY-NSHDSACASA-N 1 0 178.279 2.185 10 0 AEAERO C[C@]1(CNC2=[NH+]CCC2)CCCS1 87793745 574035432 /nfs/dbraw/zinc/03/54/32/574035432.db2.gz FYOCTYUWDLENKM-SNVBAGLBSA-N 1 0 198.335 2.054 10 0 AEAERO C[NH2+]C/C(C)=C\C1(C)CCC1 686133564 574035452 /nfs/dbraw/zinc/03/54/52/574035452.db2.gz PIFXRLSSWHVWES-CLFYSBASSA-N 1 0 153.269 2.342 10 0 AEAERO C[NH2+][C@@H](O)c1c(C)c(C)cc(C)c1C 259289279 574035456 /nfs/dbraw/zinc/03/54/56/574035456.db2.gz IQRCJSMMDKBVEZ-LBPRGKRZSA-N 1 0 193.290 2.131 10 0 AEAERO C[C@@H]1CCS[C@@H](C(C)(C)C)[NH2+]1 85318646 574035459 /nfs/dbraw/zinc/03/54/59/574035459.db2.gz LEQHEXNZAADWHJ-SFYZADRCSA-N 1 0 173.325 2.474 10 0 AEAERO C[NH2+]C/C(C)=C/C1(C)CCC1 686133565 574035467 /nfs/dbraw/zinc/03/54/67/574035467.db2.gz PIFXRLSSWHVWES-VQHVLOKHSA-N 1 0 153.269 2.342 10 0 AEAERO CCC(CC)C[C@H]([NH3+])[C@@H](C)OC 128187800 574035718 /nfs/dbraw/zinc/03/57/18/574035718.db2.gz PNTAFBAWCKGURV-SCZZXKLOSA-N 1 0 173.300 2.175 10 0 AEAERO CC(C)[C@H](CO)[C@@H]([NH3+])c1cccs1 259289414 574035733 /nfs/dbraw/zinc/03/57/33/574035733.db2.gz HREACVRTGASZKL-WCBMZHEXSA-N 1 0 199.319 2.012 10 0 AEAERO CSCC[C@@H]1[NH2+][C@@H](C)CCS1 85318709 574035769 /nfs/dbraw/zinc/03/57/69/574035769.db2.gz WSHAULYJOIUUAW-JGVFFNPUSA-N 1 0 191.365 2.181 10 0 AEAERO CC[NH2+][C@H](C=C(C)C)CCOC1CC1 716966458 574035776 /nfs/dbraw/zinc/03/57/76/574035776.db2.gz AMFZNUBBRKHBQE-NSHDSACASA-N 1 0 197.322 2.500 10 0 AEAERO C[C@]1(CN2CCCC2=[NH2+])CCCS1 87793869 574035779 /nfs/dbraw/zinc/03/57/79/574035779.db2.gz RRXSNTGUGBZTEO-SNVBAGLBSA-N 1 0 198.335 2.345 10 0 AEAERO CCC1(C2CCC(OC)CC2)C[NH2+]C1 686350842 574035840 /nfs/dbraw/zinc/03/58/40/574035840.db2.gz OBICYVSYAXPQLV-UHFFFAOYSA-N 1 0 197.322 2.191 10 0 AEAERO C[C@]1(C[NH2+]C2CCC2)CCCS1 87793129 574035894 /nfs/dbraw/zinc/03/58/94/574035894.db2.gz WSKYHPZJMSRYAH-SNVBAGLBSA-N 1 0 185.336 2.414 10 0 AEAERO C/C=C/CSCC[C@@H](C)[NH3+] 85317317 574035917 /nfs/dbraw/zinc/03/59/17/574035917.db2.gz WBUFGSLGUGKGEE-MPJRPATESA-N 1 0 159.298 2.033 10 0 AEAERO CCC[C@H]1CSCC[C@H](C)[NH2+]1 85318015 574035927 /nfs/dbraw/zinc/03/59/27/574035927.db2.gz NRMYILKUWFTHCK-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO Cc1ncccc1[C@H]1CC[NH2+]C[C@@H]1C 715226207 574035934 /nfs/dbraw/zinc/03/59/34/574035934.db2.gz JNZAHCHWJSOVMX-ONGXEEELSA-N 1 0 190.290 2.103 10 0 AEAERO CC(C)[C@@H](CO)[C@@H]([NH3+])c1cccs1 259289407 574035942 /nfs/dbraw/zinc/03/59/42/574035942.db2.gz HREACVRTGASZKL-PSASIEDQSA-N 1 0 199.319 2.012 10 0 AEAERO CC[C@H](C)[C@H]1[NH2+][C@H](C)CCS1 85318815 574035962 /nfs/dbraw/zinc/03/59/62/574035962.db2.gz UEIUPWHMYAIGAB-YIZRAAEISA-N 1 0 173.325 2.474 10 0 AEAERO CCC[C@@H]1C[NH2+]CC[C@H]1C 112236737 574035975 /nfs/dbraw/zinc/03/59/75/574035975.db2.gz GOABJDKIYGFRPL-RKDXNWHRSA-N 1 0 141.258 2.032 10 0 AEAERO CCC(CC)C[C@H]([NH2+]C)[C@H](C)OC 128190113 574035978 /nfs/dbraw/zinc/03/59/78/574035978.db2.gz QOGAJFBHORRQNJ-ONGXEEELSA-N 1 0 187.327 2.436 10 0 AEAERO CCC[C@H]1CSCC[C@@H](C)[NH2+]1 85318017 574035998 /nfs/dbraw/zinc/03/59/98/574035998.db2.gz NRMYILKUWFTHCK-BDAKNGLRSA-N 1 0 173.325 2.270 10 0 AEAERO C[C@H]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 128198624 574036001 /nfs/dbraw/zinc/03/60/01/574036001.db2.gz UXFQIGGVDDFWJV-TUAOUCFPSA-N 1 0 199.338 2.173 10 0 AEAERO CCC[C@@H](C[NH3+])[C@H](O)C1(CC)CCC1 686133696 574036030 /nfs/dbraw/zinc/03/60/30/574036030.db2.gz RZBUZGRQRDHXAS-QWRGUYRKSA-N 1 0 199.338 2.303 10 0 AEAERO CCC[C@H](C[NH3+])[C@H](O)C1(CC)CCC1 686133694 574036064 /nfs/dbraw/zinc/03/60/64/574036064.db2.gz RZBUZGRQRDHXAS-MNOVXSKESA-N 1 0 199.338 2.303 10 0 AEAERO C[C@@H]([NH3+])CCSC/C=C/Cl 85317462 574036099 /nfs/dbraw/zinc/03/60/99/574036099.db2.gz AXKCNBZURDRVMW-NUOXCJHRSA-N 1 0 179.716 2.209 10 0 AEAERO C[NH2+][C@@H](CCC(C)C)COC1CC1 716965272 574036117 /nfs/dbraw/zinc/03/61/17/574036117.db2.gz GNNSDVZKVRCXNO-JTQLQIEISA-N 1 0 185.311 2.190 10 0 AEAERO CCC[C@H]1C[NH2+]CC[C@H]1C 112236739 574036323 /nfs/dbraw/zinc/03/63/23/574036323.db2.gz GOABJDKIYGFRPL-BDAKNGLRSA-N 1 0 141.258 2.032 10 0 AEAERO C[NH2+]C[C@@H]([C@H](C)COC)C(C)(C)C 128191407 574036171 /nfs/dbraw/zinc/03/61/71/574036171.db2.gz ZGRJEBUKMCLBPG-ZJUUUORDSA-N 1 0 187.327 2.151 10 0 AEAERO CCC[C@@H]1[NH2+][C@H](C)CCS1 85318544 574036184 /nfs/dbraw/zinc/03/61/84/574036184.db2.gz QBOLGIWMEBPJDE-HTQZYQBOSA-N 1 0 159.298 2.228 10 0 AEAERO C[NH2+]C[C@H]([C@@H](C)COC)C(C)(C)C 128190691 574036209 /nfs/dbraw/zinc/03/62/09/574036209.db2.gz ZGRJEBUKMCLBPG-VHSXEESVSA-N 1 0 187.327 2.151 10 0 AEAERO CCC(CC)C[C@@H]([NH2+]C)[C@H](C)OC 128190360 574036240 /nfs/dbraw/zinc/03/62/40/574036240.db2.gz QOGAJFBHORRQNJ-GXSJLCMTSA-N 1 0 187.327 2.436 10 0 AEAERO CNc1cccc(NCC(C)C)[nH+]1 87807164 574038106 /nfs/dbraw/zinc/03/81/06/574038106.db2.gz YMEVREPCUFVCOY-UHFFFAOYSA-N 1 0 179.267 2.191 10 0 AEAERO CCC[C@H]1[NH2+]C[C@H](C)CS1 85338019 574037950 /nfs/dbraw/zinc/03/79/50/574037950.db2.gz XQMFDVZNKMZNEE-YUMQZZPRSA-N 1 0 159.298 2.085 10 0 AEAERO C[C@]1(CNC(=[NH2+])C2CC2)CCCS1 87797636 574037284 /nfs/dbraw/zinc/03/72/84/574037284.db2.gz HXSFSJMLQBLXEJ-SNVBAGLBSA-N 1 0 198.335 2.249 10 0 AEAERO CCC[C@@H]1[NH2+]C[C@@H](C)CS1 85338022 574037285 /nfs/dbraw/zinc/03/72/85/574037285.db2.gz XQMFDVZNKMZNEE-HTQZYQBOSA-N 1 0 159.298 2.085 10 0 AEAERO CSCC[C@H]1[NH2+]C[C@@H](C)CS1 85337505 574037299 /nfs/dbraw/zinc/03/72/99/574037299.db2.gz XNDNTCNDKRMVGU-SFYZADRCSA-N 1 0 191.365 2.038 10 0 AEAERO CC[C@H](C)[C@@H]1[NH2+]C[C@H](C)CS1 85338362 574037330 /nfs/dbraw/zinc/03/73/30/574037330.db2.gz IIPBTFWQTSHJDF-XHNCKOQMSA-N 1 0 173.325 2.331 10 0 AEAERO CCNc1cccc(N(C)C(C)C)[nH+]1 87806132 574037348 /nfs/dbraw/zinc/03/73/48/574037348.db2.gz MTNNYVQCJSPPLO-UHFFFAOYSA-N 1 0 193.294 2.358 10 0 AEAERO CCC[C@H]1[NH2+]CC[C@@H](C)S1 85342070 574037354 /nfs/dbraw/zinc/03/73/54/574037354.db2.gz FEIZIYVYNOVZEG-SFYZADRCSA-N 1 0 159.298 2.228 10 0 AEAERO CCCCN1CCC[C@@H]([NH2+]C)C1(C)C 259291327 574037447 /nfs/dbraw/zinc/03/74/47/574037447.db2.gz HCGGTLRCINBIIX-LLVKDONJSA-N 1 0 198.354 2.249 10 0 AEAERO CCCNc1cc(NCC)[nH+]c(C)n1 87806641 574037466 /nfs/dbraw/zinc/03/74/66/574037466.db2.gz IGXBSHONUZUYTN-UHFFFAOYSA-N 1 0 194.282 2.039 10 0 AEAERO C[C@@H]1C[NH2+][C@H](c2ccco2)CSC1 85339391 574037503 /nfs/dbraw/zinc/03/75/03/574037503.db2.gz YKDPUSZQBJGFPJ-BDAKNGLRSA-N 1 0 197.303 2.293 10 0 AEAERO C[C@@H]1C[NH2+][C@H]2CCCC[C@@H]2SC1 85338870 574037528 /nfs/dbraw/zinc/03/75/28/574037528.db2.gz DQEYWSWSIJGDAT-UTLUCORTSA-N 1 0 185.336 2.270 10 0 AEAERO CC[NH2+][C@H](CCOC)[C@@H]1CC[C@H](C)C1 686240708 574037531 /nfs/dbraw/zinc/03/75/31/574037531.db2.gz OCURESVLHXRJOC-QJPTWQEYSA-N 1 0 199.338 2.437 10 0 AEAERO CC[C@H](C)Nc1cccc(NC)[nH+]1 87806978 574037577 /nfs/dbraw/zinc/03/75/77/574037577.db2.gz QUSAXSSTCYBCKY-QMMMGPOBSA-N 1 0 179.267 2.334 10 0 AEAERO C[C@@H]1C[NH2+][C@@H](C2CCCC2)SC1 85337328 574037615 /nfs/dbraw/zinc/03/76/15/574037615.db2.gz MNEOFXJGLSTDIO-PSASIEDQSA-N 1 0 185.336 2.475 10 0 AEAERO CNC(=[NH2+])c1c(C)[nH]c2ccccc12 259292263 574037625 /nfs/dbraw/zinc/03/76/25/574037625.db2.gz RYELCLLMWVVFPC-UHFFFAOYSA-N 1 0 187.246 2.021 10 0 AEAERO Cc1cccc(N(C)C)c1/C=C/C[NH3+] 259291563 574037630 /nfs/dbraw/zinc/03/76/30/574037630.db2.gz DBLZJEIFPMMGFA-FNORWQNLSA-N 1 0 190.290 2.033 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)SC1 85337286 574037698 /nfs/dbraw/zinc/03/76/98/574037698.db2.gz QCAPDDLCLYNKMW-SFYZADRCSA-N 1 0 173.325 2.331 10 0 AEAERO CCNc1cccc(NC(C)C)[nH+]1 87806727 574037723 /nfs/dbraw/zinc/03/77/23/574037723.db2.gz DATGHXYPBDUQAA-UHFFFAOYSA-N 1 0 179.267 2.334 10 0 AEAERO CC[C@H](C)[C@H]1[NH2+]C[C@H](C)CS1 85338370 574037865 /nfs/dbraw/zinc/03/78/65/574037865.db2.gz IIPBTFWQTSHJDF-CIUDSAMLSA-N 1 0 173.325 2.331 10 0 AEAERO CCCC[C@@H]1[NH2+]C[C@H](C)CS1 85337359 574037907 /nfs/dbraw/zinc/03/79/07/574037907.db2.gz CSQDMUTZOUFZOQ-DTWKUNHWSA-N 1 0 173.325 2.475 10 0 AEAERO CCCNc1cccc(NCC)[nH+]1 87806642 574037932 /nfs/dbraw/zinc/03/79/32/574037932.db2.gz WWFPUBWWBYUDPR-UHFFFAOYSA-N 1 0 179.267 2.335 10 0 AEAERO 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CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C 84052241 486852442 /nfs/dbraw/zinc/85/24/42/486852442.db2.gz LXOVGNWHWGBZNZ-WOPDTQHZSA-N 1 0 199.338 2.268 10 0 AEAERO C[C@@H]1OCC[N@@H+]([C@@H]2C=CCCC2)[C@H]1C 675896978 486852577 /nfs/dbraw/zinc/85/25/77/486852577.db2.gz AUWUAGVTTHSZBX-SDDRHHMPSA-N 1 0 195.306 2.204 10 0 AEAERO C[C@@H]1OCC[N@@H+]([C@@H]2C=CCCC2)[C@@H]1C 675896977 486852730 /nfs/dbraw/zinc/85/27/30/486852730.db2.gz AUWUAGVTTHSZBX-GRYCIOLGSA-N 1 0 195.306 2.204 10 0 AEAERO Cc1cccc(C[N@H+](C)CCCF)n1 675965198 486853431 /nfs/dbraw/zinc/85/34/31/486853431.db2.gz BQBQHZSLEDPOGU-UHFFFAOYSA-N 1 0 196.269 2.181 10 0 AEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccncc1Cl 84084981 486853947 /nfs/dbraw/zinc/85/39/47/486853947.db2.gz VCGOQEZWHBRNIT-XCBNKYQSSA-N 1 0 196.681 2.233 10 0 AEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccncc1Cl 84084987 486853990 /nfs/dbraw/zinc/85/39/90/486853990.db2.gz VCGOQEZWHBRNIT-OIBJUYFYSA-N 1 0 196.681 2.233 10 0 AEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccncc1Cl 84084986 486854251 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199.338 2.173 10 0 AEAERO CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1O 84223460 486857233 /nfs/dbraw/zinc/85/72/33/486857233.db2.gz BUYGPDUOCPERBZ-NEPJUHHUSA-N 1 0 199.338 2.173 10 0 AEAERO CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@H]1O 84223755 486857335 /nfs/dbraw/zinc/85/73/35/486857335.db2.gz MPKKZNDOINRSHW-WDEREUQCSA-N 1 0 199.338 2.173 10 0 AEAERO CCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1O 84227559 486857579 /nfs/dbraw/zinc/85/75/79/486857579.db2.gz DRMHBDJBKLGAGC-TUAOUCFPSA-N 1 0 199.338 2.316 10 0 AEAERO CC(C)(C)CC[NH2+]C[C@H]1CCC[C@@H]1O 84223749 486857692 /nfs/dbraw/zinc/85/76/92/486857692.db2.gz MPKKZNDOINRSHW-MNOVXSKESA-N 1 0 199.338 2.173 10 0 AEAERO CC(C)[NH2+][C@@H](C1CCOCC1)C1CC1 84361627 486858999 /nfs/dbraw/zinc/85/89/99/486858999.db2.gz FGZRXPFCMGGIHQ-GFCCVEGCSA-N 1 0 197.322 2.190 10 0 AEAERO CC(C)[NH2+][C@H](C1CCOCC1)C1CC1 84361625 486859169 /nfs/dbraw/zinc/85/91/69/486859169.db2.gz FGZRXPFCMGGIHQ-LBPRGKRZSA-N 1 0 197.322 2.190 10 0 AEAERO CCCC[C@H](CC)[NH2+]CC1CC(O)C1 84446706 486862046 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757143247 582463210 /nfs/dbraw/zinc/46/32/10/582463210.db2.gz VPOMIJACXFGPJZ-UWVGGRQHSA-N 1 0 183.295 2.149 10 0 AEAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CCCO2 757142904 582463259 /nfs/dbraw/zinc/46/32/59/582463259.db2.gz USSFCYOUGRWOHE-QWRGUYRKSA-N 1 0 183.295 2.293 10 0 AEAERO CC1(C)CC2(C1)[NH2+]CCC(C)(C)O2 757142253 582463372 /nfs/dbraw/zinc/46/33/72/582463372.db2.gz BTNRLSUPJVSCOB-UHFFFAOYSA-N 1 0 183.295 2.291 10 0 AEAERO C[C@H]1C[C@@H](C)C[C@]2(C1)[NH2+]CCCO2 757143230 582463406 /nfs/dbraw/zinc/46/34/06/582463406.db2.gz VPOMIJACXFGPJZ-URLYPYJESA-N 1 0 183.295 2.149 10 0 AEAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCCO2 757142873 582463432 /nfs/dbraw/zinc/46/34/32/582463432.db2.gz USSFCYOUGRWOHE-GHMZBOCLSA-N 1 0 183.295 2.293 10 0 AEAERO CCC1CCC2(CC1)[NH2+]CCCO2 757143760 582463666 /nfs/dbraw/zinc/46/36/66/582463666.db2.gz YBFQCVCDKFJOSG-UHFFFAOYSA-N 1 0 183.295 2.293 10 0 AEAERO CC1(C)CCC[C@@]2(C1)[NH2+]CCCO2 757143722 582463724 /nfs/dbraw/zinc/46/37/24/582463724.db2.gz XYSZIGMGOMLDTJ-LLVKDONJSA-N 1 0 183.295 2.293 10 0 AEAERO CCC1(CC)[NH2+]CC[C@@H](C(F)F)O1 757143941 582463881 /nfs/dbraw/zinc/46/38/81/582463881.db2.gz NDCCWSNFXUZKEM-ZETCQYMHSA-N 1 0 193.237 2.146 10 0 AEAERO CCC1(CC)[NH2+]CC[C@H](C(F)F)O1 757143919 582463975 /nfs/dbraw/zinc/46/39/75/582463975.db2.gz NDCCWSNFXUZKEM-SSDOTTSWSA-N 1 0 193.237 2.146 10 0 AEAERO CC(C)CCCCCN1CC[C@@H]1C[NH3+] 757144370 582463977 /nfs/dbraw/zinc/46/39/77/582463977.db2.gz JRDRSSWQZCLREN-GFCCVEGCSA-N 1 0 198.354 2.236 10 0 AEAERO c1csc([C@H]2C[C@@H]3CC[NH2+]C[C@H]23)c1 757144030 582463985 /nfs/dbraw/zinc/46/39/85/582463985.db2.gz ZQKAFQZLRZQRHY-GUBZILKMSA-N 1 0 193.315 2.461 10 0 AEAERO CC1(C)CC[NH2+]C2(CCCC2)O1 757143816 582464056 /nfs/dbraw/zinc/46/40/56/582464056.db2.gz FSENDPICAKNSCV-UHFFFAOYSA-N 1 0 169.268 2.045 10 0 AEAERO CC1(C)CCC[C@]2(C1)[NH2+]CCCO2 757143740 582464093 /nfs/dbraw/zinc/46/40/93/582464093.db2.gz XYSZIGMGOMLDTJ-NSHDSACASA-N 1 0 183.295 2.293 10 0 AEAERO CCC[C@H]1CCOC2(CCC2)[NH2+]1 757143557 582464189 /nfs/dbraw/zinc/46/41/89/582464189.db2.gz NHNNVMWDEMYTBW-VIFPVBQESA-N 1 0 169.268 2.045 10 0 AEAERO CC1(C)[NH2+]CC2(CC2)C2(CCC2)O1 757145154 582464314 /nfs/dbraw/zinc/46/43/14/582464314.db2.gz OHRXAUQCOROIKC-UHFFFAOYSA-N 1 0 181.279 2.045 10 0 AEAERO C[C@@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 757145314 582464319 /nfs/dbraw/zinc/46/43/19/582464319.db2.gz IHEOHXXKJJYVRA-KOLCDFICSA-N 1 0 183.295 2.291 10 0 AEAERO C1CCC2(C1)[NH2+]CC[C@@H](C1CC1)O2 757144846 582464334 /nfs/dbraw/zinc/46/43/34/582464334.db2.gz HKUBHXLHBWRVMG-JTQLQIEISA-N 1 0 181.279 2.045 10 0 AEAERO CC[C@H]1[NH2+]CC2(CCC2)C2(CCC2)O1 757144920 582464372 /nfs/dbraw/zinc/46/43/72/582464372.db2.gz NYLFHQCVLVSQDG-JTQLQIEISA-N 1 0 195.306 2.435 10 0 AEAERO CCC1(CC)C[NH2+]C(C)(C)OC1 757145015 582464420 /nfs/dbraw/zinc/46/44/20/582464420.db2.gz HGWRXPYRKFHQDZ-UHFFFAOYSA-N 1 0 171.284 2.149 10 0 AEAERO C[C@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 757145322 582464480 /nfs/dbraw/zinc/46/44/80/582464480.db2.gz IHEOHXXKJJYVRA-ONGXEEELSA-N 1 0 183.295 2.291 10 0 AEAERO CC1CCC2(CC1)[NH2+][C@@H](C)CCO2 757144736 582464494 /nfs/dbraw/zinc/46/44/94/582464494.db2.gz GNZOBGKCAOXZBD-YVNMAJEFSA-N 1 0 183.295 2.291 10 0 AEAERO CC1(C)[NH2+]C[C@@H](C(C)(C)C)CO1 757145218 582464595 /nfs/dbraw/zinc/46/45/95/582464595.db2.gz IBGGRMRWZNTHIR-MRVPVSSYSA-N 1 0 171.284 2.005 10 0 AEAERO CC[C@@H]1[NH2+]CC2(CCC2)C2(CCC2)O1 757144950 582464666 /nfs/dbraw/zinc/46/46/66/582464666.db2.gz NYLFHQCVLVSQDG-SNVBAGLBSA-N 1 0 195.306 2.435 10 0 AEAERO CC1(C)[NH2+]CC(C)(C)C(C)(C)O1 757145003 582464683 /nfs/dbraw/zinc/46/46/83/582464683.db2.gz OBYKMQFTLOBLSW-UHFFFAOYSA-N 1 0 171.284 2.147 10 0 AEAERO C[C@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 757145302 582464686 /nfs/dbraw/zinc/46/46/86/582464686.db2.gz IHEOHXXKJJYVRA-GXSJLCMTSA-N 1 0 183.295 2.291 10 0 AEAERO C[C@@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 757145319 582464711 /nfs/dbraw/zinc/46/47/11/582464711.db2.gz IHEOHXXKJJYVRA-MWLCHTKSSA-N 1 0 183.295 2.291 10 0 AEAERO CC1CCC2(CC1)[NH2+][C@H](C)CCO2 757144722 582464738 /nfs/dbraw/zinc/46/47/38/582464738.db2.gz GNZOBGKCAOXZBD-HSOILSAZSA-N 1 0 183.295 2.291 10 0 AEAERO CC(C)[C@H]1OC2(CCC2)[NH2+]CC12CC2 757145191 582464865 /nfs/dbraw/zinc/46/48/65/582464865.db2.gz OKFONCQHZWLSPM-SNVBAGLBSA-N 1 0 195.306 2.291 10 0 AEAERO C[C@H]1[NH2+]CC2(CCC2)C2(CCC2)O1 757145180 582464871 /nfs/dbraw/zinc/46/48/71/582464871.db2.gz OJVUXAHZRMYYCO-VIFPVBQESA-N 1 0 181.279 2.045 10 0 AEAERO C[C@@H]1[NH2+]CC2(CCC2)C2(CCC2)O1 757145171 582464929 /nfs/dbraw/zinc/46/49/29/582464929.db2.gz OJVUXAHZRMYYCO-SECBINFHSA-N 1 0 181.279 2.045 10 0 AEAERO CC(C)[C@@H]1OC2(CCC2)[NH2+]CC12CC2 757145184 582464959 /nfs/dbraw/zinc/46/49/59/582464959.db2.gz OKFONCQHZWLSPM-JTQLQIEISA-N 1 0 195.306 2.291 10 0 AEAERO CC1(C)[NH2+]C[C@H](C(C)(C)C)CO1 757145223 582464961 /nfs/dbraw/zinc/46/49/61/582464961.db2.gz IBGGRMRWZNTHIR-QMMMGPOBSA-N 1 0 171.284 2.005 10 0 AEAERO C1CCC2(C1)[NH2+]CC[C@H](C1CC1)O2 757144855 582464963 /nfs/dbraw/zinc/46/49/63/582464963.db2.gz HKUBHXLHBWRVMG-SNVBAGLBSA-N 1 0 181.279 2.045 10 0 AEAERO CCC1(CC)[NH2+]C[C@H](C2CC2)CO1 757146296 582465029 /nfs/dbraw/zinc/46/50/29/582465029.db2.gz KDEPJBIUXCUVJX-JTQLQIEISA-N 1 0 183.295 2.149 10 0 AEAERO Cc1cc(COCC[NH3+])ccc1Cl 757148004 582465045 /nfs/dbraw/zinc/46/50/45/582465045.db2.gz VKRLAIPFVWNUSK-UHFFFAOYSA-N 1 0 199.681 2.124 10 0 AEAERO CCC1(CC)[NH2+][C@@H](C)C[C@@H](C)O1 757146284 582465097 /nfs/dbraw/zinc/46/50/97/582465097.db2.gz KIOHUZUDZYXBDG-DTWKUNHWSA-N 1 0 171.284 2.290 10 0 AEAERO CCC1(CC)[NH2+][C@H](C)C[C@@H](C)O1 757146302 582465160 /nfs/dbraw/zinc/46/51/60/582465160.db2.gz KIOHUZUDZYXBDG-RKDXNWHRSA-N 1 0 171.284 2.290 10 0 AEAERO CC1(C)[NH2+]CC2(CCC2)C2(CCC2)O1 757147403 582465196 /nfs/dbraw/zinc/46/51/96/582465196.db2.gz SDPYRGQOOQHSQU-UHFFFAOYSA-N 1 0 195.306 2.435 10 0 AEAERO CCC1(CC)[NH2+][C@H](C)C2(CC2)CO1 757147116 582465205 /nfs/dbraw/zinc/46/52/05/582465205.db2.gz RVVRVQOIFACTCP-SECBINFHSA-N 1 0 183.295 2.291 10 0 AEAERO CC[C@@H]1CC[NH2+]C2(CC(C)(C)C2)O1 757147297 582465209 /nfs/dbraw/zinc/46/52/09/582465209.db2.gz RZMUBDPTTUXPLV-SECBINFHSA-N 1 0 183.295 2.291 10 0 AEAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CC1(CC1)CO2 757146761 582465214 /nfs/dbraw/zinc/46/52/14/582465214.db2.gz RKMDWWBOWWHXMQ-PWSUYJOCSA-N 1 0 195.306 2.293 10 0 AEAERO CCC1(CC)[NH2+][C@@H](C)C2(CC2)CO1 757147120 582465226 /nfs/dbraw/zinc/46/52/26/582465226.db2.gz RVVRVQOIFACTCP-VIFPVBQESA-N 1 0 183.295 2.291 10 0 AEAERO C[C@H]1OC2(CCCC2)[NH2+]CC1(C)C 757146901 582465231 /nfs/dbraw/zinc/46/52/31/582465231.db2.gz KPPLULOLXSCRFH-SECBINFHSA-N 1 0 183.295 2.291 10 0 AEAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCC2)OC1 757147615 582465245 /nfs/dbraw/zinc/46/52/45/582465245.db2.gz MNDRIUVJTAYLKV-SECBINFHSA-N 1 0 183.295 2.149 10 0 AEAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CC1)CO2 757146771 582465251 /nfs/dbraw/zinc/46/52/51/582465251.db2.gz RKMDWWBOWWHXMQ-ZYHUDNBSSA-N 1 0 195.306 2.293 10 0 AEAERO CC(C)(C)[C@H]1C[NH2+]C2(CCC2)OC1 757147637 582465274 /nfs/dbraw/zinc/46/52/74/582465274.db2.gz MNDRIUVJTAYLKV-VIFPVBQESA-N 1 0 183.295 2.149 10 0 AEAERO CC[C@H]1[NH2+]CC2(CCCCC2)CO1 757147017 582465296 /nfs/dbraw/zinc/46/52/96/582465296.db2.gz KZBMIYYOBNBDHX-JTQLQIEISA-N 1 0 183.295 2.293 10 0 AEAERO CC(C)[C@@H]1[NH2+][C@H](C)OCC12CCC2 757146982 582465460 /nfs/dbraw/zinc/46/54/60/582465460.db2.gz RQOFJYUHTHKDES-UWVGGRQHSA-N 1 0 183.295 2.147 10 0 AEAERO CCC1(CC)[NH2+][C@H](C)C[C@H](C)O1 757146281 582465396 /nfs/dbraw/zinc/46/53/96/582465396.db2.gz KIOHUZUDZYXBDG-BDAKNGLRSA-N 1 0 171.284 2.290 10 0 AEAERO CC(C)[C@H]1[NH2+][C@@H](C)OCC12CCC2 757146969 582465471 /nfs/dbraw/zinc/46/54/71/582465471.db2.gz RQOFJYUHTHKDES-NXEZZACHSA-N 1 0 183.295 2.147 10 0 AEAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC1(CC1)CO2 757146748 582465494 /nfs/dbraw/zinc/46/54/94/582465494.db2.gz RKMDWWBOWWHXMQ-CMPLNLGQSA-N 1 0 195.306 2.293 10 0 AEAERO C[C@H]1CCC[C@]2(C1)[NH2+]CC1(CC1)CO2 757146752 582465523 /nfs/dbraw/zinc/46/55/23/582465523.db2.gz RKMDWWBOWWHXMQ-JQWIXIFHSA-N 1 0 195.306 2.293 10 0 AEAERO CC(C)[C@H]1[NH2+][C@H](C)OCC12CCC2 757146987 582465524 /nfs/dbraw/zinc/46/55/24/582465524.db2.gz RQOFJYUHTHKDES-VHSXEESVSA-N 1 0 183.295 2.147 10 0 AEAERO C[C@@H]1[NH2+]C2(CCCCC2)CCO1 757146925 582465528 /nfs/dbraw/zinc/46/55/28/582465528.db2.gz LUHNRTJSCHTFBI-SECBINFHSA-N 1 0 169.268 2.045 10 0 AEAERO CCC1(CC)[NH2+][C@@H](C)C[C@H](C)O1 757146295 582465533 /nfs/dbraw/zinc/46/55/33/582465533.db2.gz KIOHUZUDZYXBDG-IUCAKERBSA-N 1 0 171.284 2.290 10 0 AEAERO CC[C@H]1CC[NH2+]C2(CC(C)(C)C2)O1 757147300 582465551 /nfs/dbraw/zinc/46/55/51/582465551.db2.gz RZMUBDPTTUXPLV-VIFPVBQESA-N 1 0 183.295 2.291 10 0 AEAERO C[C@@H]1OC2(CCCC2)[NH2+]CC1(C)C 757146903 582465569 /nfs/dbraw/zinc/46/55/69/582465569.db2.gz KPPLULOLXSCRFH-VIFPVBQESA-N 1 0 183.295 2.291 10 0 AEAERO CC(C)[C@@H]1[NH2+][C@@H](C)OCC12CCC2 757147014 582465611 /nfs/dbraw/zinc/46/56/11/582465611.db2.gz RQOFJYUHTHKDES-ZJUUUORDSA-N 1 0 183.295 2.147 10 0 AEAERO CCC1(CC)[NH2+]C[C@@H](C2CC2)CO1 757146299 582465616 /nfs/dbraw/zinc/46/56/16/582465616.db2.gz KDEPJBIUXCUVJX-SNVBAGLBSA-N 1 0 183.295 2.149 10 0 AEAERO C[C@H]1[NH2+]C2(CCCCC2)CCO1 757146931 582465645 /nfs/dbraw/zinc/46/56/45/582465645.db2.gz LUHNRTJSCHTFBI-VIFPVBQESA-N 1 0 169.268 2.045 10 0 AEAERO CC[C@@H]1[NH2+]CC2(CCCCC2)CO1 757147034 582465658 /nfs/dbraw/zinc/46/56/58/582465658.db2.gz KZBMIYYOBNBDHX-SNVBAGLBSA-N 1 0 183.295 2.293 10 0 AEAERO CC[C@]1(C)CCOC2(CCC2)[NH2+]1 757149088 582465763 /nfs/dbraw/zinc/46/57/63/582465763.db2.gz OPCFNMKIFWOLBO-SECBINFHSA-N 1 0 169.268 2.045 10 0 AEAERO C1CC[C@@H]2[NH2+]C3(CCC3)OC[C@H]2C1 757150346 582465788 /nfs/dbraw/zinc/46/57/88/582465788.db2.gz YGDKNXKCBRZIFR-ZJUUUORDSA-N 1 0 181.279 2.045 10 0 AEAERO CC[C@H]1[NH2+]CC(C)(C)[C@H](C(C)C)O1 757150496 582465798 /nfs/dbraw/zinc/46/57/98/582465798.db2.gz PWYDRYPASXTUCA-UWVGGRQHSA-N 1 0 185.311 2.393 10 0 AEAERO CC(C)[C@@H]1[NH2+]C(C)(C)OCC1(C)C 757149896 582465838 /nfs/dbraw/zinc/46/58/38/582465838.db2.gz OUOXBNTZMNXWNE-VIFPVBQESA-N 1 0 185.311 2.393 10 0 AEAERO CC[C@H]1[NH2+]C2(CCCCC2)CCO1 757150062 582465869 /nfs/dbraw/zinc/46/58/69/582465869.db2.gz PAUHJLHMBJNERB-JTQLQIEISA-N 1 0 183.295 2.435 10 0 AEAERO CC(C)[C@H]1[NH2+]C(C)(C)OCC1(C)C 757149874 582465872 /nfs/dbraw/zinc/46/58/72/582465872.db2.gz OUOXBNTZMNXWNE-SECBINFHSA-N 1 0 185.311 2.393 10 0 AEAERO C1CC[C@H]2[NH2+]C3(CCC3)OC[C@@H]2C1 757150339 582465884 /nfs/dbraw/zinc/46/58/84/582465884.db2.gz YGDKNXKCBRZIFR-VHSXEESVSA-N 1 0 181.279 2.045 10 0 AEAERO CC[C@@H]1[NH2+]CC2(CC2)C2(CCC2)O1 757150313 582465903 /nfs/dbraw/zinc/46/59/03/582465903.db2.gz XRJYZNORKPYOAA-SECBINFHSA-N 1 0 181.279 2.045 10 0 AEAERO CC[C@H]1[NH2+]C[C@@H](C(C)(C)C)CO1 757149942 582465915 /nfs/dbraw/zinc/46/59/15/582465915.db2.gz OXAZSVXTCQSGAT-BDAKNGLRSA-N 1 0 171.284 2.005 10 0 AEAERO CC[C@@H]1[NH2+]CC(C)(C)[C@@H](C(C)C)O1 757150490 582466041 /nfs/dbraw/zinc/46/60/41/582466041.db2.gz PWYDRYPASXTUCA-NXEZZACHSA-N 1 0 185.311 2.393 10 0 AEAERO CC[C@@H]1[NH2+]C[C@@H](C(C)(C)C)CO1 757149980 582466045 /nfs/dbraw/zinc/46/60/45/582466045.db2.gz OXAZSVXTCQSGAT-RKDXNWHRSA-N 1 0 171.284 2.005 10 0 AEAERO CC[C@@]1(C)CCOC2(CCC2)[NH2+]1 757149095 582466048 /nfs/dbraw/zinc/46/60/48/582466048.db2.gz OPCFNMKIFWOLBO-VIFPVBQESA-N 1 0 169.268 2.045 10 0 AEAERO C1CC[C@H]2[NH2+]C3(CCC3)OC[C@H]2C1 757150334 582466101 /nfs/dbraw/zinc/46/61/01/582466101.db2.gz YGDKNXKCBRZIFR-NXEZZACHSA-N 1 0 181.279 2.045 10 0 AEAERO CC[C@@H]1[NH2+][C@H](C(C)C)C(C)(C)CO1 757150549 582466176 /nfs/dbraw/zinc/46/61/76/582466176.db2.gz PYKNBZQNMPGXPS-NXEZZACHSA-N 1 0 185.311 2.393 10 0 AEAERO CC1(C)CC2(C1)[NH2+][C@@H](C1CC1)CCO2 757150303 582466181 /nfs/dbraw/zinc/46/61/81/582466181.db2.gz YCJPJNVAOJZBLR-SNVBAGLBSA-N 1 0 195.306 2.291 10 0 AEAERO CC1CCC2(CC1)[NH2+]CC[C@@H](C)O2 757149067 582466218 /nfs/dbraw/zinc/46/62/18/582466218.db2.gz WDUUQQWVOINPDR-HSOILSAZSA-N 1 0 183.295 2.291 10 0 AEAERO CC[C@@H]1[NH2+]C2(CCCCC2)CCO1 757150068 582466222 /nfs/dbraw/zinc/46/62/22/582466222.db2.gz PAUHJLHMBJNERB-SNVBAGLBSA-N 1 0 183.295 2.435 10 0 AEAERO C1CC[C@H]2COC3(CCC3)[NH2+][C@H]2C1 757150336 582466226 /nfs/dbraw/zinc/46/62/26/582466226.db2.gz YGDKNXKCBRZIFR-UWVGGRQHSA-N 1 0 181.279 2.045 10 0 AEAERO CC1(C)CC2(C1)[NH2+][C@H](C1CC1)CCO2 757150298 582466267 /nfs/dbraw/zinc/46/62/67/582466267.db2.gz YCJPJNVAOJZBLR-JTQLQIEISA-N 1 0 195.306 2.291 10 0 AEAERO CC[C@@H]1[NH2+]C[C@H](C(C)(C)C)CO1 757149960 582466371 /nfs/dbraw/zinc/46/63/71/582466371.db2.gz OXAZSVXTCQSGAT-DTWKUNHWSA-N 1 0 171.284 2.005 10 0 AEAERO CC[C@H]1[NH2+][C@@H](C(C)C)C(C)(C)CO1 757150557 582466390 /nfs/dbraw/zinc/46/63/90/582466390.db2.gz PYKNBZQNMPGXPS-UWVGGRQHSA-N 1 0 185.311 2.393 10 0 AEAERO CC1CCC2(CC1)[NH2+]CC[C@H](C)O2 757149070 582466391 /nfs/dbraw/zinc/46/63/91/582466391.db2.gz WDUUQQWVOINPDR-YVNMAJEFSA-N 1 0 183.295 2.291 10 0 AEAERO CC[C@H]1[NH2+][C@H](C(C)C)C(C)(C)CO1 757150562 582466392 /nfs/dbraw/zinc/46/63/92/582466392.db2.gz PYKNBZQNMPGXPS-VHSXEESVSA-N 1 0 185.311 2.393 10 0 AEAERO CC[C@H]1[NH2+]CC2(CC2)C2(CCC2)O1 757150318 582466395 /nfs/dbraw/zinc/46/63/95/582466395.db2.gz XRJYZNORKPYOAA-VIFPVBQESA-N 1 0 181.279 2.045 10 0 AEAERO CC[C@H]1[NH2+]CC(C)(C)[C@@H](C(C)C)O1 757150500 582466405 /nfs/dbraw/zinc/46/64/05/582466405.db2.gz PWYDRYPASXTUCA-VHSXEESVSA-N 1 0 185.311 2.393 10 0 AEAERO CC[C@@H]1[NH2+]CC(C)(C)[C@H](C(C)C)O1 757150508 582466412 /nfs/dbraw/zinc/46/64/12/582466412.db2.gz PWYDRYPASXTUCA-ZJUUUORDSA-N 1 0 185.311 2.393 10 0 AEAERO CC[C@H]1[NH2+]C[C@H](C(C)(C)C)CO1 757149964 582466442 /nfs/dbraw/zinc/46/64/42/582466442.db2.gz OXAZSVXTCQSGAT-IUCAKERBSA-N 1 0 171.284 2.005 10 0 AEAERO CC(C)[C@@H]1O[C@@H](C)[NH2+]CC1(C)C 757151908 582466546 /nfs/dbraw/zinc/46/65/46/582466546.db2.gz RVKUFXLHDFHORK-IUCAKERBSA-N 1 0 171.284 2.003 10 0 AEAERO CCC1(CC)C[NH2+]C2(CCC2)OC1 757152020 582466706 /nfs/dbraw/zinc/46/67/06/582466706.db2.gz UREONRJESIJUEI-UHFFFAOYSA-N 1 0 183.295 2.293 10 0 AEAERO CC[C@@H]1[NH2+][C@@H](C(C)C)C(C)(C)CO1 757151174 582466850 /nfs/dbraw/zinc/46/68/50/582466850.db2.gz PYKNBZQNMPGXPS-ZJUUUORDSA-N 1 0 185.311 2.393 10 0 AEAERO CCC1(CC)[NH2+]C[C@@H](C(C)C)CO1 757152440 582466891 /nfs/dbraw/zinc/46/68/91/582466891.db2.gz SIRSBIONCBCMOJ-SNVBAGLBSA-N 1 0 185.311 2.395 10 0 AEAERO CC(C)[C@H]1O[C@H](C)[NH2+]CC1(C)C 757151910 582466894 /nfs/dbraw/zinc/46/68/94/582466894.db2.gz RVKUFXLHDFHORK-RKDXNWHRSA-N 1 0 171.284 2.003 10 0 AEAERO C[C@@H]1CCOC2(CCCCC2)[NH2+]1 757152774 582466921 /nfs/dbraw/zinc/46/69/21/582466921.db2.gz UWTKKZWYQKZJDP-SECBINFHSA-N 1 0 169.268 2.045 10 0 AEAERO CCC1(CC)[NH2+]C[C@H](C(C)C)CO1 757152438 582466937 /nfs/dbraw/zinc/46/69/37/582466937.db2.gz SIRSBIONCBCMOJ-JTQLQIEISA-N 1 0 185.311 2.395 10 0 AEAERO CC(C)[C@@H]1O[C@H](C)[NH2+]CC1(C)C 757151900 582466947 /nfs/dbraw/zinc/46/69/47/582466947.db2.gz RVKUFXLHDFHORK-BDAKNGLRSA-N 1 0 171.284 2.003 10 0 AEAERO CC(C)[C@H]1O[C@@H](C)[NH2+]CC1(C)C 757151903 582467068 /nfs/dbraw/zinc/46/70/68/582467068.db2.gz RVKUFXLHDFHORK-DTWKUNHWSA-N 1 0 171.284 2.003 10 0 AEAERO C[C@H]1CCOC2(CCCCC2)[NH2+]1 757152778 582467176 /nfs/dbraw/zinc/46/71/76/582467176.db2.gz UWTKKZWYQKZJDP-VIFPVBQESA-N 1 0 169.268 2.045 10 0 AEAERO CCC[C@@H]1CC[NH2+]C2(CCC2)O1 757153524 582467306 /nfs/dbraw/zinc/46/73/06/582467306.db2.gz WWUUUJIAXQRZBN-SECBINFHSA-N 1 0 169.268 2.045 10 0 AEAERO C[C@@H]1[NH2+][C@H](c2cccs2)CCO1 757153442 582467317 /nfs/dbraw/zinc/46/73/17/582467317.db2.gz WONLZCUDEYMINO-SFYZADRCSA-N 1 0 183.276 2.145 10 0 AEAERO C[C@@H]1CC(C)(C)OC2(CCCC2)[NH2+]1 757153532 582467345 /nfs/dbraw/zinc/46/73/45/582467345.db2.gz WWUWYNNULBGUHW-SECBINFHSA-N 1 0 183.295 2.434 10 0 AEAERO C1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 757154361 582467455 /nfs/dbraw/zinc/46/74/55/582467455.db2.gz ZYXLMHJBBOULEV-NSHDSACASA-N 1 0 195.306 2.435 10 0 AEAERO C[C@H]1CC(C)(C)OC2(CCCC2)[NH2+]1 757153535 582467461 /nfs/dbraw/zinc/46/74/61/582467461.db2.gz WWUWYNNULBGUHW-VIFPVBQESA-N 1 0 183.295 2.434 10 0 AEAERO C[C@H]1C[C@@H](C)[NH2+]C2(CC(C)(C)C2)O1 757154364 582467469 /nfs/dbraw/zinc/46/74/69/582467469.db2.gz ZZCZRDFHIZMWHK-BDAKNGLRSA-N 1 0 183.295 2.290 10 0 AEAERO CC1(C)CC[NH2+]C2(CCCCC2)O1 757152818 582467479 /nfs/dbraw/zinc/46/74/79/582467479.db2.gz UXOICULDBRSXBE-UHFFFAOYSA-N 1 0 183.295 2.435 10 0 AEAERO CCC1(CC)[NH2+]CC[C@@H](C2CC2)O1 757153876 582467494 /nfs/dbraw/zinc/46/74/94/582467494.db2.gz YFLHBJDPPXOGAB-JTQLQIEISA-N 1 0 183.295 2.291 10 0 AEAERO C[C@H]1[NH2+][C@H](c2cccs2)CCO1 757153443 582467521 /nfs/dbraw/zinc/46/75/21/582467521.db2.gz WONLZCUDEYMINO-YUMQZZPRSA-N 1 0 183.276 2.145 10 0 AEAERO CCC1(CC)[NH2+]CCC(C)(C)O1 757153509 582467532 /nfs/dbraw/zinc/46/75/32/582467532.db2.gz XCLDPSUCMPAYSB-UHFFFAOYSA-N 1 0 171.284 2.291 10 0 AEAERO C1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 757153587 582467579 /nfs/dbraw/zinc/46/75/79/582467579.db2.gz XSTZPYROOLEWBM-LLVKDONJSA-N 1 0 195.306 2.293 10 0 AEAERO CCC1(CC)[NH2+]CC[C@H](C2CC2)O1 757153877 582467591 /nfs/dbraw/zinc/46/75/91/582467591.db2.gz YFLHBJDPPXOGAB-SNVBAGLBSA-N 1 0 183.295 2.291 10 0 AEAERO C[C@@H]1[NH2+][C@@H](c2cccs2)CCO1 757153439 582467631 /nfs/dbraw/zinc/46/76/31/582467631.db2.gz WONLZCUDEYMINO-HTQZYQBOSA-N 1 0 183.276 2.145 10 0 AEAERO C[C@H]1[NH2+][C@@H](c2cccs2)CCO1 757153440 582467638 /nfs/dbraw/zinc/46/76/38/582467638.db2.gz WONLZCUDEYMINO-JGVFFNPUSA-N 1 0 183.276 2.145 10 0 AEAERO C[C@H]1C[C@H](C)OC2(CC(C)(C)C2)[NH2+]1 757154369 582467647 /nfs/dbraw/zinc/46/76/47/582467647.db2.gz ZZCZRDFHIZMWHK-IUCAKERBSA-N 1 0 183.295 2.290 10 0 AEAERO CCC[C@H]1CC[NH2+]C2(CCC2)O1 757153530 582467861 /nfs/dbraw/zinc/46/78/61/582467861.db2.gz WWUUUJIAXQRZBN-VIFPVBQESA-N 1 0 169.268 2.045 10 0 AEAERO CC1(C)[NH2+]C2(CCCCC2)CCO1 757153756 582467860 /nfs/dbraw/zinc/46/78/60/582467860.db2.gz XHHGGMWEODQPGJ-UHFFFAOYSA-N 1 0 183.295 2.435 10 0 AEAERO C[C@H]1C[C@@H](C)OC2(CC(C)(C)C2)[NH2+]1 757154367 582467877 /nfs/dbraw/zinc/46/78/77/582467877.db2.gz ZZCZRDFHIZMWHK-DTWKUNHWSA-N 1 0 183.295 2.290 10 0 AEAERO C1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 757153591 582467884 /nfs/dbraw/zinc/46/78/84/582467884.db2.gz XSTZPYROOLEWBM-NSHDSACASA-N 1 0 195.306 2.293 10 0 AEAERO C1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 757154360 582467894 /nfs/dbraw/zinc/46/78/94/582467894.db2.gz ZYXLMHJBBOULEV-LLVKDONJSA-N 1 0 195.306 2.435 10 0 AEAERO Cc1ccoc1CSC/C=C/C[NH3+] 757165547 582468756 /nfs/dbraw/zinc/46/87/56/582468756.db2.gz MBWBGIRSNJGTSU-NSCUHMNNSA-N 1 0 197.303 2.336 10 0 AEAERO Cc1ccoc1CSC[C@H]1CC[NH2+]1 757164687 582468823 /nfs/dbraw/zinc/46/88/23/582468823.db2.gz IJIDCCHVAJYSSC-SECBINFHSA-N 1 0 197.303 2.183 10 0 AEAERO Cc1ccoc1CSC[C@@H](C)C[NH3+] 757165679 582468853 /nfs/dbraw/zinc/46/88/53/582468853.db2.gz NGZCLQIDAYCENG-QMMMGPOBSA-N 1 0 199.319 2.416 10 0 AEAERO Cc1ccoc1CSC[C@@H]1CC[NH2+]1 757164700 582469049 /nfs/dbraw/zinc/46/90/49/582469049.db2.gz IJIDCCHVAJYSSC-VIFPVBQESA-N 1 0 197.303 2.183 10 0 AEAERO [NH2+]=C(NO)C1(C(F)(F)F)CCCC1 757165005 582469111 /nfs/dbraw/zinc/46/91/11/582469111.db2.gz VYRNUOMGLFREJL-UHFFFAOYSA-N 1 0 196.172 2.065 10 0 AEAERO Cc1ccoc1CSC[C@H](C)C[NH3+] 757165675 582469144 /nfs/dbraw/zinc/46/91/44/582469144.db2.gz NGZCLQIDAYCENG-MRVPVSSYSA-N 1 0 199.319 2.416 10 0 AEAERO Cc1ccoc1CSCC1C[NH2+]C1 757165494 582469502 /nfs/dbraw/zinc/46/95/02/582469502.db2.gz LKPMFYGMRKLJNG-UHFFFAOYSA-N 1 0 197.303 2.041 10 0 AEAERO C[NH2+]CCSCc1occc1C 757165465 582469648 /nfs/dbraw/zinc/46/96/48/582469648.db2.gz LGPWNZGWDVJIJF-UHFFFAOYSA-N 1 0 185.292 2.041 10 0 AEAERO CCc1nc2c([C@H](C)[NH3+])cccc2[nH]1 757168790 582469913 /nfs/dbraw/zinc/46/99/13/582469913.db2.gz NNBXZVADYUAFNS-ZETCQYMHSA-N 1 0 189.262 2.145 10 0 AEAERO CO[C@H](C[NH3+])c1cscc1Cl 757167117 582469950 /nfs/dbraw/zinc/46/99/50/582469950.db2.gz PKWFJFFIULEPHE-SSDOTTSWSA-N 1 0 191.683 2.048 10 0 AEAERO CCc1nc2c([C@@H](C)[NH3+])cccc2[nH]1 757168789 582469954 /nfs/dbraw/zinc/46/99/54/582469954.db2.gz NNBXZVADYUAFNS-SSDOTTSWSA-N 1 0 189.262 2.145 10 0 AEAERO CCc1ccc(CS[C@H](C)C[NH3+])o1 757168586 582469961 /nfs/dbraw/zinc/46/99/61/582469961.db2.gz CFFAGVYGCUMJSQ-MRVPVSSYSA-N 1 0 199.319 2.422 10 0 AEAERO CCc1ccc(CSCCC[NH3+])o1 757169724 582469981 /nfs/dbraw/zinc/46/99/81/582469981.db2.gz MABJSVPSRSGJIQ-UHFFFAOYSA-N 1 0 199.319 2.424 10 0 AEAERO CCc1ccc(CSC[C@@H](C)[NH3+])o1 757169129 582469987 /nfs/dbraw/zinc/46/99/87/582469987.db2.gz GFIDKQFMHNPVPL-MRVPVSSYSA-N 1 0 199.319 2.422 10 0 AEAERO Cc1ccoc1CSC[C@@H](C)[NH3+] 757167318 582469989 /nfs/dbraw/zinc/46/99/89/582469989.db2.gz VGKLBJHWPDLMEY-MRVPVSSYSA-N 1 0 185.292 2.168 10 0 AEAERO C[NH2+][C@@H](C)CSCc1occc1C 757167379 582469993 /nfs/dbraw/zinc/46/99/93/582469993.db2.gz WKDIUHBWUGFDLS-VIFPVBQESA-N 1 0 199.319 2.429 10 0 AEAERO CO[C@@H](C[NH3+])c1cscc1Cl 757167126 582469995 /nfs/dbraw/zinc/46/99/95/582469995.db2.gz PKWFJFFIULEPHE-ZETCQYMHSA-N 1 0 191.683 2.048 10 0 AEAERO CCc1ccc(CSC2C[NH2+]C2)o1 757167876 582470033 /nfs/dbraw/zinc/47/00/33/582470033.db2.gz YSKYXFHMMSWDHN-UHFFFAOYSA-N 1 0 197.303 2.047 10 0 AEAERO C[C@@]1(c2ccc(C[NH3+])cc2)CC1(F)F 757170406 582470079 /nfs/dbraw/zinc/47/00/79/582470079.db2.gz AKFWKMYCSBLYKL-JTQLQIEISA-N 1 0 197.228 2.442 10 0 AEAERO C[NH2+]C[C@@H](C)SCc1occc1C 757167313 582470123 /nfs/dbraw/zinc/47/01/23/582470123.db2.gz VCBMOAQNRMTAAU-SECBINFHSA-N 1 0 199.319 2.429 10 0 AEAERO C[NH2+]CCCSCc1occc1C 757167315 582470137 /nfs/dbraw/zinc/47/01/37/582470137.db2.gz VCHRTVRSDARXLH-UHFFFAOYSA-N 1 0 199.319 2.431 10 0 AEAERO CCc1ccc(CSCC[NH2+]C)o1 757170250 582470151 /nfs/dbraw/zinc/47/01/51/582470151.db2.gz PATSITFBWHYBSJ-UHFFFAOYSA-N 1 0 199.319 2.295 10 0 AEAERO Cc1ccoc1CS[C@@H](C)C[NH3+] 757167393 582470212 /nfs/dbraw/zinc/47/02/12/582470212.db2.gz WLBNOOWDHDUIGU-QMMMGPOBSA-N 1 0 185.292 2.168 10 0 AEAERO C[NH2+][C@H](C)CSCc1occc1C 757167372 582470267 /nfs/dbraw/zinc/47/02/67/582470267.db2.gz WKDIUHBWUGFDLS-SECBINFHSA-N 1 0 199.319 2.429 10 0 AEAERO Cc1ccoc1CSC[C@H](C)[NH3+] 757167319 582470271 /nfs/dbraw/zinc/47/02/71/582470271.db2.gz VGKLBJHWPDLMEY-QMMMGPOBSA-N 1 0 185.292 2.168 10 0 AEAERO C[C@]1(c2ccc(C[NH3+])cc2)CC1(F)F 757170407 582470278 /nfs/dbraw/zinc/47/02/78/582470278.db2.gz AKFWKMYCSBLYKL-SNVBAGLBSA-N 1 0 197.228 2.442 10 0 AEAERO Cc1ccoc1CS[C@H]1CC[NH2+]C1 757167340 582470384 /nfs/dbraw/zinc/47/03/84/582470384.db2.gz VTJNUXONQZVSEF-VIFPVBQESA-N 1 0 197.303 2.183 10 0 AEAERO C[NH2+]C[C@H](C)SCc1occc1C 757167314 582470456 /nfs/dbraw/zinc/47/04/56/582470456.db2.gz VCBMOAQNRMTAAU-VIFPVBQESA-N 1 0 199.319 2.429 10 0 AEAERO Cc1ccoc1CS[C@H](C)C[NH3+] 757167389 582470493 /nfs/dbraw/zinc/47/04/93/582470493.db2.gz WLBNOOWDHDUIGU-MRVPVSSYSA-N 1 0 185.292 2.168 10 0 AEAERO Cc1ccoc1CSCCC[NH3+] 757166892 582470504 /nfs/dbraw/zinc/47/05/04/582470504.db2.gz SQHVAZRFFYDRDP-UHFFFAOYSA-N 1 0 185.292 2.170 10 0 AEAERO CCc1ccc(CSC[C@H](C)[NH3+])o1 757169131 582470522 /nfs/dbraw/zinc/47/05/22/582470522.db2.gz GFIDKQFMHNPVPL-QMMMGPOBSA-N 1 0 199.319 2.422 10 0 AEAERO Cc1ccoc1CS[C@@H]1CC[NH2+]C1 757167337 582470523 /nfs/dbraw/zinc/47/05/23/582470523.db2.gz VTJNUXONQZVSEF-SECBINFHSA-N 1 0 197.303 2.183 10 0 AEAERO CCc1ccc(CSCC[NH3+])o1 757169527 582470757 /nfs/dbraw/zinc/47/07/57/582470757.db2.gz JFWLQOIPCSWHBS-UHFFFAOYSA-N 1 0 185.292 2.034 10 0 AEAERO C[C@H]1C[C@@H]([NH3+])CCC1(C)C 140551510 582471040 /nfs/dbraw/zinc/47/10/40/582471040.db2.gz IGBKZYUCPMYPJU-YUMQZZPRSA-N 1 0 141.258 2.160 10 0 AEAERO [NH3+]CCSCc1ccc(Cl)o1 757172627 582471165 /nfs/dbraw/zinc/47/11/65/582471165.db2.gz YNOBVMFTHHGVIJ-UHFFFAOYSA-N 1 0 191.683 2.125 10 0 AEAERO CC1(C)C[C@@]12CCC[C@H]2C[NH3+] 757195183 582472510 /nfs/dbraw/zinc/47/25/10/582472510.db2.gz HFDXEUFTKRSLJO-WCBMZHEXSA-N 1 0 153.269 2.162 10 0 AEAERO [NH3+]C[C@H]1CCCC12CC1(CC1)C2 757196229 582472219 /nfs/dbraw/zinc/47/22/19/582472219.db2.gz TUYQRVRQVUGWKN-SECBINFHSA-N 1 0 165.280 2.306 10 0 AEAERO [NH3+][C@H]1CCCC12CC1(CC1)C2 757196399 582472231 /nfs/dbraw/zinc/47/22/31/582472231.db2.gz XNHUPAJNZLQXGH-QMMMGPOBSA-N 1 0 151.253 2.058 10 0 AEAERO CC1(C)C[C@@]12CCC[C@@H]2C[NH3+] 757195181 582472233 /nfs/dbraw/zinc/47/22/33/582472233.db2.gz HFDXEUFTKRSLJO-PSASIEDQSA-N 1 0 153.269 2.162 10 0 AEAERO CC[C@]1(C)CCC[C@H]1C[NH3+] 757196495 582472324 /nfs/dbraw/zinc/47/23/24/582472324.db2.gz ZPQFMSGLVXLYDT-DTWKUNHWSA-N 1 0 141.258 2.162 10 0 AEAERO Cc1cncc(SCC[C@@H](C)[NH3+])c1 757207470 582472348 /nfs/dbraw/zinc/47/23/48/582472348.db2.gz BHLHQHYVGAEVQU-SECBINFHSA-N 1 0 196.319 2.219 10 0 AEAERO NC(=[NH2+])c1c(F)cccc1C(F)F 757195145 582472366 /nfs/dbraw/zinc/47/23/66/582472366.db2.gz DSRRSCNSRKHIHW-UHFFFAOYSA-N 1 0 188.152 2.047 10 0 AEAERO CCC1(CC)CCC[C@H]1[NH3+] 757196041 582472442 /nfs/dbraw/zinc/47/24/42/582472442.db2.gz SENOEGBYFJNUIW-MRVPVSSYSA-N 1 0 141.258 2.304 10 0 AEAERO CC1(C)C[C@]12CCC[C@@H]2C[NH3+] 757195182 582472500 /nfs/dbraw/zinc/47/25/00/582472500.db2.gz HFDXEUFTKRSLJO-SCZZXKLOSA-N 1 0 153.269 2.162 10 0 AEAERO CC1(C)C[C@]12CCC[C@H]2C[NH3+] 757195184 582472513 /nfs/dbraw/zinc/47/25/13/582472513.db2.gz HFDXEUFTKRSLJO-WPRPVWTQSA-N 1 0 153.269 2.162 10 0 AEAERO 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/nfs/dbraw/zinc/52/86/93/582528693.db2.gz HSJKJVZKKUDERL-SNVBAGLBSA-N 1 0 197.347 2.272 10 0 AEAERO CC[C@H]1CC[C@H]1[NH2+]CC1CSC1 895421965 582528713 /nfs/dbraw/zinc/52/87/13/582528713.db2.gz PGMAPGBWTYFVSZ-VHSXEESVSA-N 1 0 185.336 2.128 10 0 AEAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CSC1 895422042 582528724 /nfs/dbraw/zinc/52/87/24/582528724.db2.gz SISNSBBDYFBYBZ-MNOVXSKESA-N 1 0 199.363 2.374 10 0 AEAERO CC[C@@H]1CC[C@H]1[NH2+]CC1CSC1 895421963 582528732 /nfs/dbraw/zinc/52/87/32/582528732.db2.gz PGMAPGBWTYFVSZ-NXEZZACHSA-N 1 0 185.336 2.128 10 0 AEAERO C=C/C=C\CC[NH2+]CCC[C@@H]1CCO1 895540695 582528876 /nfs/dbraw/zinc/52/88/76/582528876.db2.gz FJPJXSDSDOQDNR-VSQXVHSFSA-N 1 0 195.306 2.277 10 0 AEAERO C=C/C=C/CC[NH2+]CCC[C@@H]1CCO1 895540692 582528887 /nfs/dbraw/zinc/52/88/87/582528887.db2.gz FJPJXSDSDOQDNR-AAOUONPWSA-N 1 0 195.306 2.277 10 0 AEAERO FC[C@H]1CCC[N@H+](CC2(F)CC2)C1 895544118 582528890 /nfs/dbraw/zinc/52/88/90/582528890.db2.gz IFLCILOHOPWXGQ-SECBINFHSA-N 1 0 189.249 2.170 10 0 AEAERO C=C/C=C\CC[NH2+]CCC[C@H]1CCO1 895540693 582528899 /nfs/dbraw/zinc/52/88/99/582528899.db2.gz FJPJXSDSDOQDNR-MVZIDQBPSA-N 1 0 195.306 2.277 10 0 AEAERO C=C/C=C/CC[NH2+]CCC[C@H]1CCO1 895540694 582528946 /nfs/dbraw/zinc/52/89/46/582528946.db2.gz FJPJXSDSDOQDNR-PCAWENJQSA-N 1 0 195.306 2.277 10 0 AEAERO FC[C@H]1CCC[N@H+](Cc2ccoc2)C1 895545499 582529086 /nfs/dbraw/zinc/52/90/86/582529086.db2.gz FNZSUSHQZJALSB-SNVBAGLBSA-N 1 0 197.253 2.461 10 0 AEAERO Cc1coc(C[N@@H+]2CC[C@H](CF)C2)c1 895568624 582529278 /nfs/dbraw/zinc/52/92/78/582529278.db2.gz ODDXQILQQCFEDM-SNVBAGLBSA-N 1 0 197.253 2.379 10 0 AEAERO FC[C@H]1CC[N@H+](Cc2ccoc2)C1 895574888 582529289 /nfs/dbraw/zinc/52/92/89/582529289.db2.gz QDIYMQFEUWZXGA-SECBINFHSA-N 1 0 183.226 2.071 10 0 AEAERO FC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 895545498 582529304 /nfs/dbraw/zinc/52/93/04/582529304.db2.gz FNZSUSHQZJALSB-JTQLQIEISA-N 1 0 197.253 2.461 10 0 AEAERO FC[C@@H]1CC[N@H+](Cc2ccoc2)C1 895574891 582529344 /nfs/dbraw/zinc/52/93/44/582529344.db2.gz QDIYMQFEUWZXGA-VIFPVBQESA-N 1 0 183.226 2.071 10 0 AEAERO Cc1coc(C[N@@H+]2CC[C@@H](CF)C2)c1 895568614 582529390 /nfs/dbraw/zinc/52/93/90/582529390.db2.gz ODDXQILQQCFEDM-JTQLQIEISA-N 1 0 197.253 2.379 10 0 AEAERO CC1CC([NH2+][C@@H](C)c2ncco2)C1 895767124 582530165 /nfs/dbraw/zinc/53/01/65/582530165.db2.gz VZGNAEIYSBYDIM-MGURRDGZSA-N 1 0 180.251 2.124 10 0 AEAERO CC1CC([NH2+][C@H](C)c2ncco2)C1 895767125 582530000 /nfs/dbraw/zinc/53/00/00/582530000.db2.gz VZGNAEIYSBYDIM-QJAFJHJLSA-N 1 0 180.251 2.124 10 0 AEAERO CC(C)CCCC[NH2+]C1(C)COC1 895758331 582530097 /nfs/dbraw/zinc/53/00/97/582530097.db2.gz GSBLFRCKPXWGEN-UHFFFAOYSA-N 1 0 185.311 2.191 10 0 AEAERO CC1(C[N@H+]2C[C@H]3CSC[C@H]3C2)CC1 895778831 582531033 /nfs/dbraw/zinc/53/10/33/582531033.db2.gz FWUHVBQQAKONMX-AOOOYVTPSA-N 1 0 197.347 2.081 10 0 AEAERO CC(C)[NH+]1CCC([C@H]2CCCO2)CC1 336475673 582536597 /nfs/dbraw/zinc/53/65/97/582536597.db2.gz DBGAGFWAEWWRGG-GFCCVEGCSA-N 1 0 197.322 2.286 10 0 AEAERO CC(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 6031222 582539587 /nfs/dbraw/zinc/53/95/87/582539587.db2.gz UCPHBPFIPZAAAJ-GHMZBOCLSA-N 1 0 185.311 2.142 10 0 AEAERO CC(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 6037816 582539975 /nfs/dbraw/zinc/53/99/75/582539975.db2.gz UCPHBPFIPZAAAJ-QWRGUYRKSA-N 1 0 185.311 2.142 10 0 AEAERO Cl/C=C\C[NH+]1CCCCC1 146503526 582542931 /nfs/dbraw/zinc/54/29/31/582542931.db2.gz BHUQRWSKYCJKDU-PLNGDYQASA-N 1 0 159.660 2.225 10 0 AEAERO C1CCCC2(CCC1)[NH2+]CCCO2 205334669 582546316 /nfs/dbraw/zinc/54/63/16/582546316.db2.gz PJWICQJJNUKJIT-UHFFFAOYSA-N 1 0 183.295 2.437 10 0 AEAERO COCC(C)(C)C[NH2+]CC1(C)CCC1 393689959 582547327 /nfs/dbraw/zinc/54/73/27/582547327.db2.gz NWRPEZIUGARPCD-UHFFFAOYSA-N 1 0 199.338 2.439 10 0 AEAERO c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c[nH]1 897954224 582549542 /nfs/dbraw/zinc/54/95/42/582549542.db2.gz YOCFRRVHYSDCTG-GRYCIOLGSA-N 1 0 190.290 2.293 10 0 AEAERO CC(C)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 897954515 582549636 /nfs/dbraw/zinc/54/96/36/582549636.db2.gz GOWYQRLHBYLWTF-GMTAPVOTSA-N 1 0 167.296 2.421 10 0 AEAERO CC(C)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]21 897954516 582549642 /nfs/dbraw/zinc/54/96/42/582549642.db2.gz GOWYQRLHBYLWTF-HBNTYKKESA-N 1 0 167.296 2.421 10 0 AEAERO c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]32)c[nH]1 897954226 582549657 /nfs/dbraw/zinc/54/96/57/582549657.db2.gz YOCFRRVHYSDCTG-QJPTWQEYSA-N 1 0 190.290 2.293 10 0 AEAERO c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)c[nH]1 897954227 582549670 /nfs/dbraw/zinc/54/96/70/582549670.db2.gz YOCFRRVHYSDCTG-SDDRHHMPSA-N 1 0 190.290 2.293 10 0 AEAERO C1C[C@@H]2[C@@H]([NH2+]CC3CC3)C[C@H]2C1 897954218 582549721 /nfs/dbraw/zinc/54/97/21/582549721.db2.gz YKEJJJSHPGTJOF-VWYCJHECSA-N 1 0 165.280 2.175 10 0 AEAERO C1C[C@@H]2C[C@H]([NH2+]CC3CC3)[C@@H]2C1 897954216 582549758 /nfs/dbraw/zinc/54/97/58/582549758.db2.gz YKEJJJSHPGTJOF-MXWKQRLJSA-N 1 0 165.280 2.175 10 0 AEAERO c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c[nH]1 897954225 582549783 /nfs/dbraw/zinc/54/97/83/582549783.db2.gz YOCFRRVHYSDCTG-IJLUTSLNSA-N 1 0 190.290 2.293 10 0 AEAERO C1C[C@@H]2C[C@@H]([NH2+]CC3CC3)[C@@H]2C1 897954215 582549846 /nfs/dbraw/zinc/54/98/46/582549846.db2.gz YKEJJJSHPGTJOF-GMTAPVOTSA-N 1 0 165.280 2.175 10 0 AEAERO C1C[C@H]2[C@H](C1)C[C@H]2[NH2+]CC1CC1 897954217 582549847 /nfs/dbraw/zinc/54/98/47/582549847.db2.gz YKEJJJSHPGTJOF-OUAUKWLOSA-N 1 0 165.280 2.175 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 897955767 582550152 /nfs/dbraw/zinc/55/01/52/582550152.db2.gz YIQAWLHJBNZFLC-OPRDCNLKSA-N 1 0 153.269 2.173 10 0 AEAERO FC1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]32)CC1 897955750 582550321 /nfs/dbraw/zinc/55/03/21/582550321.db2.gz YFTIFQVMCUQNCO-IVZWLZJFSA-N 1 0 183.270 2.267 10 0 AEAERO CCOC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21 897954536 582550406 /nfs/dbraw/zinc/55/04/06/582550406.db2.gz GSZVSAMWBOAIDJ-FIQHERPVSA-N 1 0 197.322 2.190 10 0 AEAERO FC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 897955751 582550443 /nfs/dbraw/zinc/55/04/43/582550443.db2.gz YFTIFQVMCUQNCO-KXUCPTDWSA-N 1 0 183.270 2.267 10 0 AEAERO FC1(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)CC1 897955752 582550475 /nfs/dbraw/zinc/55/04/75/582550475.db2.gz YFTIFQVMCUQNCO-LPEHRKFASA-N 1 0 183.270 2.267 10 0 AEAERO C1C[C@@H]2[C@@H]([NH2+][C@@H]3CCSC3)C[C@H]2C1 897955725 582550478 /nfs/dbraw/zinc/55/04/78/582550478.db2.gz XXLBVCLKUHAUNX-ZNSHCXBVSA-N 1 0 197.347 2.270 10 0 AEAERO C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCSC3)[C@@H]2C1 897955722 582550482 /nfs/dbraw/zinc/55/04/82/582550482.db2.gz XXLBVCLKUHAUNX-DBIOUOCHSA-N 1 0 197.347 2.270 10 0 AEAERO C1C[C@@H]2C[C@H]([NH2+][C@H]3CCSC3)[C@@H]2C1 897955724 582550505 /nfs/dbraw/zinc/55/05/05/582550505.db2.gz XXLBVCLKUHAUNX-YTWAJWBKSA-N 1 0 197.347 2.270 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@@H]2CCC[C@H]21 897955765 582550527 /nfs/dbraw/zinc/55/05/27/582550527.db2.gz YIQAWLHJBNZFLC-IVZWLZJFSA-N 1 0 153.269 2.173 10 0 AEAERO FC1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 897955753 582550560 /nfs/dbraw/zinc/55/05/60/582550560.db2.gz YFTIFQVMCUQNCO-OPRDCNLKSA-N 1 0 183.270 2.267 10 0 AEAERO C1C[C@@H]2[C@@H]([NH2+][C@H]3CCSC3)C[C@H]2C1 897955723 582550587 /nfs/dbraw/zinc/55/05/87/582550587.db2.gz XXLBVCLKUHAUNX-RCWTZXSCSA-N 1 0 197.347 2.270 10 0 AEAERO CC(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 897954517 582550640 /nfs/dbraw/zinc/55/06/40/582550640.db2.gz GOWYQRLHBYLWTF-OUAUKWLOSA-N 1 0 167.296 2.421 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 897955766 582550676 /nfs/dbraw/zinc/55/06/76/582550676.db2.gz YIQAWLHJBNZFLC-KXUCPTDWSA-N 1 0 153.269 2.173 10 0 AEAERO C[C@H]1C[C@H](C)CC[C@]12CC[C@H](C[NH3+])O2 306621021 582552355 /nfs/dbraw/zinc/55/23/55/582552355.db2.gz YSAQFPMSGNUKSS-KXNHARMFSA-N 1 0 197.322 2.319 10 0 AEAERO CCCCCNC(=[NH2+])N[C@H](C)C1CC1 899264012 582559603 /nfs/dbraw/zinc/55/96/03/582559603.db2.gz VRJPGRCJQPFZKD-SECBINFHSA-N 1 0 197.326 2.089 10 0 AEAERO CCCCCNC(=[NH2+])N[C@@H](C)C1CC1 899264013 582560217 /nfs/dbraw/zinc/56/02/17/582560217.db2.gz VRJPGRCJQPFZKD-VIFPVBQESA-N 1 0 197.326 2.089 10 0 AEAERO C(=C1C[NH2+]C1)c1nc(C2CC2)cs1 899328328 582560439 /nfs/dbraw/zinc/56/04/39/582560439.db2.gz RFSCKXFXUTYMTG-UHFFFAOYSA-N 1 0 192.287 2.007 10 0 AEAERO CC[NH2+]Cc1cc(C)ccc1NC 902035677 582593618 /nfs/dbraw/zinc/59/36/18/582593618.db2.gz BXNZKFLNUKNJQZ-UHFFFAOYSA-N 1 0 178.279 2.146 10 0 AEAERO CCC(N)=[NH+]OCC[C@@H]1C[C@H]1C1CC1 902216801 582594028 /nfs/dbraw/zinc/59/40/28/582594028.db2.gz ATRKWSZOXJDJLU-ZJUUUORDSA-N 1 0 196.294 2.331 10 0 AEAERO CCC(N)=[NH+]OCCCC(C)(F)F 902218260 582594668 /nfs/dbraw/zinc/59/46/68/582594668.db2.gz KCOCIHCIUGJVOB-UHFFFAOYSA-N 1 0 194.225 2.330 10 0 AEAERO CC(C)C(N)=[NH+]OC1CC2(CCC2)C1 902327803 582596648 /nfs/dbraw/zinc/59/66/48/582596648.db2.gz NQISUBBONYMJEJ-UHFFFAOYSA-N 1 0 196.294 2.474 10 0 AEAERO COCCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 902720556 582612218 /nfs/dbraw/zinc/61/22/18/582612218.db2.gz LLAFMVDFECKAPX-GHMZBOCLSA-N 1 0 197.322 2.191 10 0 AEAERO COCCC[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1 902720558 582612261 /nfs/dbraw/zinc/61/22/61/582612261.db2.gz LLAFMVDFECKAPX-ZSBIGDGJSA-N 1 0 197.322 2.191 10 0 AEAERO COC[C@@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1 902721042 582612437 /nfs/dbraw/zinc/61/24/37/582612437.db2.gz REOQFMKLUNIDOM-WISYIIOYSA-N 1 0 197.322 2.190 10 0 AEAERO CCOCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 902753251 582612480 /nfs/dbraw/zinc/61/24/80/582612480.db2.gz PHGZTIUJUDAALD-GHMZBOCLSA-N 1 0 197.322 2.191 10 0 AEAERO COC[C@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1 902721044 582612529 /nfs/dbraw/zinc/61/25/29/582612529.db2.gz REOQFMKLUNIDOM-YFKTTZPYSA-N 1 0 197.322 2.190 10 0 AEAERO COCCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 902720557 582612549 /nfs/dbraw/zinc/61/25/49/582612549.db2.gz LLAFMVDFECKAPX-QWRGUYRKSA-N 1 0 197.322 2.191 10 0 AEAERO COC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H]2C1 902721041 582612590 /nfs/dbraw/zinc/61/25/90/582612590.db2.gz REOQFMKLUNIDOM-HBNTYKKESA-N 1 0 197.322 2.190 10 0 AEAERO COC[C@H](C)[NH2+]C1C[C@@H]2CCC[C@H]2C1 902721039 582612670 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CC[C@@H](C)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C 903252300 582622292 /nfs/dbraw/zinc/62/22/92/582622292.db2.gz CARQUMQEGTXKMB-MVCUBJFGSA-N 1 0 167.296 2.419 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1OC 903167221 582622318 /nfs/dbraw/zinc/62/23/18/582622318.db2.gz ILXVWHFRWPIVBY-KKOKHZNYSA-N 1 0 197.322 2.332 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1OC 903167222 582622387 /nfs/dbraw/zinc/62/23/87/582622387.db2.gz ILXVWHFRWPIVBY-KXNHARMFSA-N 1 0 197.322 2.332 10 0 AEAERO CCOC[C@H](C)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C 903255428 582622780 /nfs/dbraw/zinc/62/27/80/582622780.db2.gz XNADNUOEJZAPJS-CSYMLDBXSA-N 1 0 197.322 2.046 10 0 AEAERO CCOC[C@@H](C)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C 903255430 582623039 /nfs/dbraw/zinc/62/30/39/582623039.db2.gz XNADNUOEJZAPJS-PZWNZHSQSA-N 1 0 197.322 2.046 10 0 AEAERO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)C(C)(C)C 903405919 582623319 /nfs/dbraw/zinc/62/33/19/582623319.db2.gz GAKMPHHZKLDGGU-MWLCHTKSSA-N 1 0 199.338 2.172 10 0 AEAERO 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197.322 2.286 10 0 AEAERO Fc1cccc(C[N@@H+]2CC[C@H]3C[C@H]32)c1 761080562 582668466 /nfs/dbraw/zinc/66/84/66/582668466.db2.gz DUABIYCOTIESQC-CMPLNLGQSA-N 1 0 191.249 2.420 10 0 AEAERO CCC[NH2+]CC(C)(C)C1CCOCC1 317493564 582668674 /nfs/dbraw/zinc/66/86/74/582668674.db2.gz TVIGBHBPDYYQEF-UHFFFAOYSA-N 1 0 199.338 2.439 10 0 AEAERO Fc1ccccc1C[N@@H+]1CC[C@H]2C[C@H]21 761100072 582668822 /nfs/dbraw/zinc/66/88/22/582668822.db2.gz XYVRITLVOMVRGO-JOYOIKCWSA-N 1 0 191.249 2.420 10 0 AEAERO COCCC(C)(C)C[NH2+]C1CCC1 135014309 582669054 /nfs/dbraw/zinc/66/90/54/582669054.db2.gz ZJYVWBQHBRNSDM-UHFFFAOYSA-N 1 0 185.311 2.191 10 0 AEAERO Fc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 761100076 582669342 /nfs/dbraw/zinc/66/93/42/582669342.db2.gz XYVRITLVOMVRGO-SKDRFNHKSA-N 1 0 191.249 2.420 10 0 AEAERO C[N@H+](CCc1cccc(F)c1)C1CC1 733797152 582680040 /nfs/dbraw/zinc/68/00/40/582680040.db2.gz QYPSRYVCFMGUMJ-UHFFFAOYSA-N 1 0 193.265 2.462 10 0 AEAERO CCOCCC[N@@H+]1CCCC12CCC2 769983019 582682704 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194.278 2.297 10 0 AEAERO CC[C@@H]1CCC[N@H+](Cc2cocn2)C1 205536547 582710053 /nfs/dbraw/zinc/71/00/53/582710053.db2.gz XQUOGFZWNPNNGM-SNVBAGLBSA-N 1 0 194.278 2.297 10 0 AEAERO COCc1ccccc1C[NH2+]C(C)C 37762707 582710985 /nfs/dbraw/zinc/71/09/85/582710985.db2.gz BNXJTULFGPUAJO-UHFFFAOYSA-N 1 0 193.290 2.331 10 0 AEAERO CC(C)CC[N@H+](CCN)C1CCCC1 42428180 582712364 /nfs/dbraw/zinc/71/23/64/582712364.db2.gz KWAIKCLCWZLHOS-UHFFFAOYSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@H](C)[N@H+](C)CCCF 378968676 582712747 /nfs/dbraw/zinc/71/27/47/582712747.db2.gz DRPOZHAXQMOOBB-VIFPVBQESA-N 1 0 161.264 2.466 10 0 AEAERO CCC[N@H+](C)CCCCCF 378932748 582712787 /nfs/dbraw/zinc/71/27/87/582712787.db2.gz BBLVMHFAGNFGAZ-UHFFFAOYSA-N 1 0 161.264 2.468 10 0 AEAERO C[N@H+](CCCCF)C1CCC1 378965974 582712800 /nfs/dbraw/zinc/71/28/00/582712800.db2.gz BJWUVXYGTRRNMX-UHFFFAOYSA-N 1 0 159.248 2.220 10 0 AEAERO CCC[N@H+](C)C/C=C\Cl 207809665 582712675 /nfs/dbraw/zinc/71/26/75/582712675.db2.gz BWUQCQYQENOGSG-PLNGDYQASA-N 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2.044 10 0 AEAERO CCc1ccc(CS[C@@H](C)C[NH3+])o1 757168599 582947498 /nfs/dbraw/zinc/94/74/98/582947498.db2.gz CFFAGVYGCUMJSQ-QMMMGPOBSA-N 1 0 199.319 2.422 10 0 AEAERO CC[NH2+]CCSCc1occc1C 757166774 582947846 /nfs/dbraw/zinc/94/78/46/582947846.db2.gz RUEOFBPQFFGLHW-UHFFFAOYSA-N 1 0 199.319 2.431 10 0 AEAERO Cc1cc(CC(N)=[NH2+])ccc1Cl 757160589 582947853 /nfs/dbraw/zinc/94/78/53/582947853.db2.gz RPTDBFPOMFWNQC-UHFFFAOYSA-N 1 0 182.654 2.127 10 0 AEAERO [NH3+][C@H]1CCCc2cc(F)ccc2C1 757174991 582948912 /nfs/dbraw/zinc/94/89/12/582948912.db2.gz GLCMCPVFKRQXNB-NSHDSACASA-N 1 0 179.238 2.032 10 0 AEAERO [NH3+][C@@H]1CCCc2cc(F)ccc2C1 757174990 582948945 /nfs/dbraw/zinc/94/89/45/582948945.db2.gz GLCMCPVFKRQXNB-LLVKDONJSA-N 1 0 179.238 2.032 10 0 AEAERO C[C@@H]1C[C@]12CCC[C@@H]2CC[NH3+] 757195346 582949200 /nfs/dbraw/zinc/94/92/00/582949200.db2.gz KIQAAEWEZXUUOW-OPRDCNLKSA-N 1 0 153.269 2.162 10 0 AEAERO [NH3+][C@H]1CCCc2c(F)cccc2C1 757175211 582949322 /nfs/dbraw/zinc/94/93/22/582949322.db2.gz JJALKJKQSNFLRD-VIFPVBQESA-N 1 0 179.238 2.032 10 0 AEAERO Cc1ccc2c(c1)C[C@H]([NH3+])CCC2 757175794 582949361 /nfs/dbraw/zinc/94/93/61/582949361.db2.gz YIHYYINTGPHDCL-GFCCVEGCSA-N 1 0 175.275 2.201 10 0 AEAERO [NH3+][C@@H]1CCCc2ccc(F)cc2C1 757175340 582949436 /nfs/dbraw/zinc/94/94/36/582949436.db2.gz NADPGNVFHPUCRK-LLVKDONJSA-N 1 0 179.238 2.032 10 0 AEAERO [NH3+][C@H]1CCCc2ccc(F)cc2C1 757175341 582949596 /nfs/dbraw/zinc/94/95/96/582949596.db2.gz NADPGNVFHPUCRK-NSHDSACASA-N 1 0 179.238 2.032 10 0 AEAERO C[C@@H]1C[C@@]12CCC[C@@H]2CC[NH3+] 757195343 582949666 /nfs/dbraw/zinc/94/96/66/582949666.db2.gz KIQAAEWEZXUUOW-BBBLOLIVSA-N 1 0 153.269 2.162 10 0 AEAERO CC1(C)CC(C2(C[NH3+])CC2)C1 757183291 582949682 /nfs/dbraw/zinc/94/96/82/582949682.db2.gz NLIPFOQMCOVAIF-UHFFFAOYSA-N 1 0 153.269 2.162 10 0 AEAERO Cc1ccc2c(c1)C[C@@H]([NH3+])CCC2 757175795 582949692 /nfs/dbraw/zinc/94/96/92/582949692.db2.gz YIHYYINTGPHDCL-LBPRGKRZSA-N 1 0 175.275 2.201 10 0 AEAERO [NH3+][C@@H]1CCCc2c(F)cccc2C1 757175137 582949719 /nfs/dbraw/zinc/94/97/19/582949719.db2.gz JJALKJKQSNFLRD-SECBINFHSA-N 1 0 179.238 2.032 10 0 AEAERO C[C@@H]1C[C@]12CCC[C@H]2CC[NH3+] 757195345 582949723 /nfs/dbraw/zinc/94/97/23/582949723.db2.gz KIQAAEWEZXUUOW-KXUCPTDWSA-N 1 0 153.269 2.162 10 0 AEAERO NC(=[NH2+])c1cc(C(F)F)ccc1F 757195543 582950156 /nfs/dbraw/zinc/95/01/56/582950156.db2.gz GTRFVEDHOURTGE-UHFFFAOYSA-N 1 0 188.152 2.047 10 0 AEAERO CC(C)C1CCC([C@H](C[NH3+])CO)CC1 757193592 582950170 /nfs/dbraw/zinc/95/01/70/582950170.db2.gz XRHRZPPPPCLHCF-HTAVTVPLSA-N 1 0 199.338 2.016 10 0 AEAERO C[C@@H]1C[C@@]12CCC[C@H]2CC[NH3+] 757195366 582950202 /nfs/dbraw/zinc/95/02/02/582950202.db2.gz KIQAAEWEZXUUOW-UTLUCORTSA-N 1 0 153.269 2.162 10 0 AEAERO CC1(C)C[C@]2(CCC[C@@H]2[NH3+])CCO1 757195250 582950213 /nfs/dbraw/zinc/95/02/13/582950213.db2.gz IXQWFCDSOSGVFP-ONGXEEELSA-N 1 0 183.295 2.073 10 0 AEAERO CC1(C)C[C@]2(CCC[C@H]2[NH3+])CCO1 757195240 582950222 /nfs/dbraw/zinc/95/02/22/582950222.db2.gz IXQWFCDSOSGVFP-KOLCDFICSA-N 1 0 183.295 2.073 10 0 AEAERO CC1(C)C[C@]2(CCCC[NH2+]2)CCO1 757194725 582950256 /nfs/dbraw/zinc/95/02/56/582950256.db2.gz FJSIAUVKVCPKBU-NSHDSACASA-N 1 0 183.295 2.088 10 0 AEAERO CC1(C)C[C@@]2(CCCC[NH2+]2)CCO1 757194724 582950391 /nfs/dbraw/zinc/95/03/91/582950391.db2.gz FJSIAUVKVCPKBU-LLVKDONJSA-N 1 0 183.295 2.088 10 0 AEAERO CC(C)C1CCC([C@@H](C[NH3+])CO)CC1 757193593 582950395 /nfs/dbraw/zinc/95/03/95/582950395.db2.gz XRHRZPPPPCLHCF-MCIGGMRASA-N 1 0 199.338 2.016 10 0 AEAERO CC1(C)C[C@@]2(CCC[C@@H]2[NH3+])CCO1 757195234 582950415 /nfs/dbraw/zinc/95/04/15/582950415.db2.gz IXQWFCDSOSGVFP-GXSJLCMTSA-N 1 0 183.295 2.073 10 0 AEAERO CC1(C)C[C@@]2(CCC[C@H]2[NH3+])CCO1 757195248 582950438 /nfs/dbraw/zinc/95/04/38/582950438.db2.gz IXQWFCDSOSGVFP-MWLCHTKSSA-N 1 0 183.295 2.073 10 0 AEAERO C[C@@H]1CCC[C@@]2(CCO[C@@H]2C[NH3+])CC1 757206345 582950607 /nfs/dbraw/zinc/95/06/07/582950607.db2.gz AJDMFPBYPOUYHU-UTUOFQBUSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@@H]1C[C@@H](c2cccc(N)c2)CC[NH2+]1 757209737 582950740 /nfs/dbraw/zinc/95/07/40/582950740.db2.gz CCIBISAAOLZVLY-KOLCDFICSA-N 1 0 190.290 2.124 10 0 AEAERO C[C@@H]1C[C@H](c2cccc(N)c2)CC[NH2+]1 757209738 582950802 /nfs/dbraw/zinc/95/08/02/582950802.db2.gz CCIBISAAOLZVLY-MWLCHTKSSA-N 1 0 190.290 2.124 10 0 AEAERO CC1(C)C[C@@]2(CCC[C@H]2C[NH3+])CCO1 757195971 582950826 /nfs/dbraw/zinc/95/08/26/582950826.db2.gz QYBFBXRXIPPDDF-CMPLNLGQSA-N 1 0 197.322 2.321 10 0 AEAERO CC1(C)CCC2(CCO[C@@H]2C[NH3+])CC1 757208176 582950853 /nfs/dbraw/zinc/95/08/53/582950853.db2.gz FPBKVFICNLMTLB-SNVBAGLBSA-N 1 0 197.322 2.321 10 0 AEAERO CC1(C)C[C@@]2(CCC[C@@H]2C[NH3+])CCO1 757195980 582950874 /nfs/dbraw/zinc/95/08/74/582950874.db2.gz QYBFBXRXIPPDDF-ZYHUDNBSSA-N 1 0 197.322 2.321 10 0 AEAERO CC1(C)CCC[C@@]2(CCO[C@H]2C[NH3+])C1 757206528 582950877 /nfs/dbraw/zinc/95/08/77/582950877.db2.gz BAPKFZMUNGSILA-CMPLNLGQSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@@H]1CCC[C@]2(CCO[C@@H]2C[NH3+])CC1 757206344 582950982 /nfs/dbraw/zinc/95/09/82/582950982.db2.gz AJDMFPBYPOUYHU-IJLUTSLNSA-N 1 0 197.322 2.321 10 0 AEAERO CC1(C)CCC[C@]2(CCO[C@@H]2C[NH3+])C1 757206538 582950992 /nfs/dbraw/zinc/95/09/92/582950992.db2.gz BAPKFZMUNGSILA-PWSUYJOCSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@@H]1CCC[C@@]2(CCO[C@H]2C[NH3+])CC1 757206347 582951045 /nfs/dbraw/zinc/95/10/45/582951045.db2.gz AJDMFPBYPOUYHU-WOPDTQHZSA-N 1 0 197.322 2.321 10 0 AEAERO [NH3+]CC[C@H]1CCC[C@]12CC21CC1 757195984 582951056 /nfs/dbraw/zinc/95/10/56/582951056.db2.gz RBCRZCKDWLISDT-KOLCDFICSA-N 1 0 165.280 2.306 10 0 AEAERO C[C@H]1C[C@H](c2cccc(N)c2)CC[NH2+]1 757209734 582951122 /nfs/dbraw/zinc/95/11/22/582951122.db2.gz CCIBISAAOLZVLY-GXSJLCMTSA-N 1 0 190.290 2.124 10 0 AEAERO CC1(C)C[C@]2(CCC[C@H]2C[NH3+])CCO1 757195972 582951148 /nfs/dbraw/zinc/95/11/48/582951148.db2.gz QYBFBXRXIPPDDF-JQWIXIFHSA-N 1 0 197.322 2.321 10 0 AEAERO [NH3+]CC[C@@H]1CCC[C@]12CC21CC1 757195990 582951161 /nfs/dbraw/zinc/95/11/61/582951161.db2.gz RBCRZCKDWLISDT-ONGXEEELSA-N 1 0 165.280 2.306 10 0 AEAERO CC1(C)CCC[C@@]2(CCO[C@@H]2C[NH3+])C1 757206541 582951195 /nfs/dbraw/zinc/95/11/95/582951195.db2.gz BAPKFZMUNGSILA-ZYHUDNBSSA-N 1 0 197.322 2.321 10 0 AEAERO CC1(C)C[C@]2(CCC[C@@H]2C[NH3+])CCO1 757195974 582951242 /nfs/dbraw/zinc/95/12/42/582951242.db2.gz QYBFBXRXIPPDDF-PWSUYJOCSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@H]1C[C@@H](c2cccc(N)c2)CC[NH2+]1 757209739 582951274 /nfs/dbraw/zinc/95/12/74/582951274.db2.gz CCIBISAAOLZVLY-ONGXEEELSA-N 1 0 190.290 2.124 10 0 AEAERO C[C@@H]1CCC[C@]2(CCO[C@H]2C[NH3+])CC1 757206342 582951296 /nfs/dbraw/zinc/95/12/96/582951296.db2.gz AJDMFPBYPOUYHU-GRYCIOLGSA-N 1 0 197.322 2.321 10 0 AEAERO CC1(C)CCC2(CCO[C@H]2C[NH3+])CC1 757208170 582951370 /nfs/dbraw/zinc/95/13/70/582951370.db2.gz FPBKVFICNLMTLB-JTQLQIEISA-N 1 0 197.322 2.321 10 0 AEAERO [NH3+]CC[C@H]1CCC[C@@]12CC21CC1 757195987 582951372 /nfs/dbraw/zinc/95/13/72/582951372.db2.gz RBCRZCKDWLISDT-MWLCHTKSSA-N 1 0 165.280 2.306 10 0 AEAERO [NH3+]CC[C@@H]1CCC[C@@]12CC21CC1 757195983 582951380 /nfs/dbraw/zinc/95/13/80/582951380.db2.gz RBCRZCKDWLISDT-GXSJLCMTSA-N 1 0 165.280 2.306 10 0 AEAERO CC1(C)CCC[C@]2(CCO[C@H]2C[NH3+])C1 757206532 582951414 /nfs/dbraw/zinc/95/14/14/582951414.db2.gz BAPKFZMUNGSILA-JQWIXIFHSA-N 1 0 197.322 2.321 10 0 AEAERO C[C@@H]1CC[NH2+]C[C@H]1c1cccs1 757215847 582952681 /nfs/dbraw/zinc/95/26/81/582952681.db2.gz NSSIXCHLWFFZCS-RKDXNWHRSA-N 1 0 181.304 2.461 10 0 AEAERO C[C@H]1C[C@@H](C)C[C@]2(CCO[C@@H]2C[NH3+])C1 757213354 582951684 /nfs/dbraw/zinc/95/16/84/582951684.db2.gz SHUXGPJEAVATAM-WRWGMCAJSA-N 1 0 197.322 2.177 10 0 AEAERO C[C@@H]1CCC[NH2+][C@@H]1c1cccc(N)c1 757212466 582951845 /nfs/dbraw/zinc/95/18/45/582951845.db2.gz IPMWNQPMRGONTJ-SKDRFNHKSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@H]1CC[NH2+][C@@H](c2cccc(N)c2)C1 757214042 582951943 /nfs/dbraw/zinc/95/19/43/582951943.db2.gz KZFYGDJGLBUXIF-JOYOIKCWSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@@H]1CCC[NH2+][C@H]1c1cccc(N)c1 757212443 582952090 /nfs/dbraw/zinc/95/20/90/582952090.db2.gz IPMWNQPMRGONTJ-BXKDBHETSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@@H]1CC[NH2+][C@H](c2cccc(N)c2)C1 757214044 582952148 /nfs/dbraw/zinc/95/21/48/582952148.db2.gz KZFYGDJGLBUXIF-SKDRFNHKSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@H]1CCC[NH2+][C@@H]1c1cccc(N)c1 757212451 582952197 /nfs/dbraw/zinc/95/21/97/582952197.db2.gz IPMWNQPMRGONTJ-CABZTGNLSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@H]1CCC[NH2+][C@H]1c1cccc(N)c1 757212453 582952235 /nfs/dbraw/zinc/95/22/35/582952235.db2.gz IPMWNQPMRGONTJ-JOYOIKCWSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@@H]1C[C@@H](C)CC2(CCO[C@@H]2C[NH3+])C1 757213340 582952272 /nfs/dbraw/zinc/95/22/72/582952272.db2.gz SHUXGPJEAVATAM-GMTAPVOTSA-N 1 0 197.322 2.177 10 0 AEAERO C[C@H]1CC[NH2+][C@H](c2cccc(N)c2)C1 757214037 582952324 /nfs/dbraw/zinc/95/23/24/582952324.db2.gz KZFYGDJGLBUXIF-CABZTGNLSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@H]1C[C@@H](C)C[C@]2(CCO[C@H]2C[NH3+])C1 757213351 582952377 /nfs/dbraw/zinc/95/23/77/582952377.db2.gz SHUXGPJEAVATAM-USZNOCQGSA-N 1 0 197.322 2.177 10 0 AEAERO C[C@@H]1CC[NH2+][C@@H](c2cccc(N)c2)C1 757214032 582952408 /nfs/dbraw/zinc/95/24/08/582952408.db2.gz KZFYGDJGLBUXIF-BXKDBHETSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@@H]1C[C@@H](C)CC2(CCO[C@H]2C[NH3+])C1 757213344 582952486 /nfs/dbraw/zinc/95/24/86/582952486.db2.gz SHUXGPJEAVATAM-MXWKQRLJSA-N 1 0 197.322 2.177 10 0 AEAERO C[C@H]1CC[C@H](c2cccc(N)c2)[NH2+]C1 757216119 582952645 /nfs/dbraw/zinc/95/26/45/582952645.db2.gz PELFYFLEBRRTFN-JOYOIKCWSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@@H]1CC[C@H](c2cccc(N)c2)[NH2+]C1 757216106 582952707 /nfs/dbraw/zinc/95/27/07/582952707.db2.gz PELFYFLEBRRTFN-BXKDBHETSA-N 1 0 190.290 2.329 10 0 AEAERO CC[NH2+]CCSc1cncc(C)c1 757215024 582952821 /nfs/dbraw/zinc/95/28/21/582952821.db2.gz UGJPXNCHTJLEPI-UHFFFAOYSA-N 1 0 196.319 2.092 10 0 AEAERO C[C@@H]1CC[C@@H](c2cccc(N)c2)[NH2+]C1 757216551 582952862 /nfs/dbraw/zinc/95/28/62/582952862.db2.gz PELFYFLEBRRTFN-SKDRFNHKSA-N 1 0 190.290 2.329 10 0 AEAERO C[C@H]1CC[C@@H](c2cccc(N)c2)C[NH2+]1 757215932 582952944 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/nfs/dbraw/zinc/03/86/49/491038649.db2.gz YYZRUIYUBUDHGR-GARJFASQSA-N 1 0 187.327 2.292 10 0 AEAERO C[C@H]([NH2+][C@H](C)CC1CCC1)[C@@H](C)CO 134140931 491038651 /nfs/dbraw/zinc/03/86/51/491038651.db2.gz UUEOVGWOLUIDEB-AXFHLTTASA-N 1 0 199.338 2.172 10 0 AEAERO C[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 134190444 491038653 /nfs/dbraw/zinc/03/86/53/491038653.db2.gz ZXUYOMKFPICCPZ-GMTAPVOTSA-N 1 0 199.338 2.172 10 0 AEAERO CCOC[C@@H](C)[NH2+]C[C@H](C)C(C)C 134114981 491038654 /nfs/dbraw/zinc/03/86/54/491038654.db2.gz JTNACXRTUFGRRT-WDEREUQCSA-N 1 0 187.327 2.293 10 0 AEAERO CCC[C@H](CC)[NH2+][C@@H]1CCCN(C)C1 134281644 491038661 /nfs/dbraw/zinc/03/86/61/491038661.db2.gz YIXRSLIHTLJSKU-NWDGAFQWSA-N 1 0 198.354 2.249 10 0 AEAERO CCC[C@H](CC)[NH2+][C@H]1CCCN(C)C1 134281694 491038672 /nfs/dbraw/zinc/03/86/72/491038672.db2.gz YIXRSLIHTLJSKU-RYUDHWBXSA-N 1 0 198.354 2.249 10 0 AEAERO CCC[C@@H](CC)[NH2+][C@H]1CCCN(C)C1 134281668 491038697 /nfs/dbraw/zinc/03/86/97/491038697.db2.gz YIXRSLIHTLJSKU-NEPJUHHUSA-N 1 0 198.354 2.249 10 0 AEAERO CCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C 134390635 491038847 /nfs/dbraw/zinc/03/88/47/491038847.db2.gz HBFMWHKEBMGBOM-HBNTYKKESA-N 1 0 185.311 2.332 10 0 AEAERO CC(C)=CCC[C@H](C)[NH2+]C1(CO)CC1 134515585 491038894 /nfs/dbraw/zinc/03/88/94/491038894.db2.gz KSRKGBJERCWTPZ-NSHDSACASA-N 1 0 197.322 2.236 10 0 AEAERO CCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C 134390682 491038899 /nfs/dbraw/zinc/03/88/99/491038899.db2.gz HBFMWHKEBMGBOM-AXFHLTTASA-N 1 0 185.311 2.332 10 0 AEAERO CCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C 134390613 491038906 /nfs/dbraw/zinc/03/89/06/491038906.db2.gz HBFMWHKEBMGBOM-GMTAPVOTSA-N 1 0 185.311 2.332 10 0 AEAERO CCC[C@@H](CC)[NH2+][C@@H]1CCO[C@@H]1C 134390435 491038930 /nfs/dbraw/zinc/03/89/30/491038930.db2.gz FOIHWFVDHJKXOI-GMTAPVOTSA-N 1 0 185.311 2.332 10 0 AEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)C(C)C 134545503 491038946 /nfs/dbraw/zinc/03/89/46/491038946.db2.gz TZNCZVPKZWAAJA-RKDXNWHRSA-N 1 0 195.310 2.413 10 0 AEAERO C[C@H]1C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 134557857 491038965 /nfs/dbraw/zinc/03/89/65/491038965.db2.gz LMVKBVMFDSRNJI-PMUOWJKOSA-N 1 0 197.322 2.331 10 0 AEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccoc1 134526062 491038997 /nfs/dbraw/zinc/03/89/97/491038997.db2.gz KWRSPFDFVZATEO-ATZCPNFKSA-N 1 0 195.262 2.108 10 0 AEAERO CC(C)[NH2+]C1CC(OC(C)(C)C)C1 134542872 491039038 /nfs/dbraw/zinc/03/90/38/491039038.db2.gz CDACZPUBTXEFGB-UHFFFAOYSA-N 1 0 185.311 2.331 10 0 AEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccoc1 134526086 491039046 /nfs/dbraw/zinc/03/90/46/491039046.db2.gz KWRSPFDFVZATEO-NGZCFLSTSA-N 1 0 195.262 2.108 10 0 AEAERO CC[C@@H](C)[NH2+]C[C@@H]1CC1(C)C 222029479 491040644 /nfs/dbraw/zinc/04/06/44/491040644.db2.gz BFVMIKMAPZVYOM-BDAKNGLRSA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@@H](C)[NH2+]C[C@H]1CC1(C)C 222029581 491040646 /nfs/dbraw/zinc/04/06/46/491040646.db2.gz BFVMIKMAPZVYOM-RKDXNWHRSA-N 1 0 155.285 2.421 10 0 AEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccoc1 134526107 491039075 /nfs/dbraw/zinc/03/90/75/491039075.db2.gz KWRSPFDFVZATEO-QXEWZRGKSA-N 1 0 195.262 2.108 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)C(C)C 134545484 491039082 /nfs/dbraw/zinc/03/90/82/491039082.db2.gz TZNCZVPKZWAAJA-IUCAKERBSA-N 1 0 195.310 2.413 10 0 AEAERO C[C@@H]1C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 134557833 491039090 /nfs/dbraw/zinc/03/90/90/491039090.db2.gz LMVKBVMFDSRNJI-SFXRXQKFSA-N 1 0 197.322 2.331 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CCO[C@@H]1C 134527123 491039101 /nfs/dbraw/zinc/03/91/01/491039101.db2.gz MTBFNALDIFZVRZ-AXFHLTTASA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@@H](C)[NH2+]CCc1csc(C)n1 221959665 491040659 /nfs/dbraw/zinc/04/06/59/491040659.db2.gz IBVVZVQCOUVEET-MRVPVSSYSA-N 1 0 198.335 2.382 10 0 AEAERO CC(C)=CCC[C@@H](C)[NH2+]C1(CO)CC1 134515608 491039113 /nfs/dbraw/zinc/03/91/13/491039113.db2.gz KSRKGBJERCWTPZ-LLVKDONJSA-N 1 0 197.322 2.236 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 134552462 491039114 /nfs/dbraw/zinc/03/91/14/491039114.db2.gz IAYNCFHHXCHJIW-NRPADANISA-N 1 0 193.294 2.025 10 0 AEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)C(C)C 134545465 491039121 /nfs/dbraw/zinc/03/91/21/491039121.db2.gz TZNCZVPKZWAAJA-DTWKUNHWSA-N 1 0 195.310 2.413 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)C(C)C 134545524 491039125 /nfs/dbraw/zinc/03/91/25/491039125.db2.gz TZNCZVPKZWAAJA-BDAKNGLRSA-N 1 0 195.310 2.413 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 134552502 491039127 /nfs/dbraw/zinc/03/91/27/491039127.db2.gz IAYNCFHHXCHJIW-OYNCUSHFSA-N 1 0 193.294 2.025 10 0 AEAERO C[C@H]1C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 134557902 491039130 /nfs/dbraw/zinc/03/91/30/491039130.db2.gz LMVKBVMFDSRNJI-IDWGSYCQSA-N 1 0 197.322 2.331 10 0 AEAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC(C)C1 134590280 491039149 /nfs/dbraw/zinc/03/91/49/491039149.db2.gz OIVYYPMAUMYGGJ-CCNFQMFXSA-N 1 0 193.294 2.167 10 0 AEAERO C[C@@H]1C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 134557876 491039181 /nfs/dbraw/zinc/03/91/81/491039181.db2.gz LMVKBVMFDSRNJI-AGVGLQIMSA-N 1 0 197.322 2.331 10 0 AEAERO CC(C)C1(C[NH2+][C@@H](C)CCCO)CC1 134591155 491039190 /nfs/dbraw/zinc/03/91/90/491039190.db2.gz WBLCBEVLKHSPRO-NSHDSACASA-N 1 0 199.338 2.173 10 0 AEAERO CC(C)C1(C[NH2+][C@H](C)CCCO)CC1 134591176 491039204 /nfs/dbraw/zinc/03/92/04/491039204.db2.gz WBLCBEVLKHSPRO-LLVKDONJSA-N 1 0 199.338 2.173 10 0 AEAERO Cc1n[nH]cc1[C@H](C)[NH2+]C1CC(C)C1 134590301 491039218 /nfs/dbraw/zinc/03/92/18/491039218.db2.gz OIVYYPMAUMYGGJ-ZCUBBSJVSA-N 1 0 193.294 2.167 10 0 AEAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(C)C 221793574 491040695 /nfs/dbraw/zinc/04/06/95/491040695.db2.gz MHPVGMPHLULLRG-GUBZILKMSA-N 1 0 173.300 2.044 10 0 AEAERO c1ccc(CCC[NH2+]CC2CC2)nc1 134723013 491039312 /nfs/dbraw/zinc/03/93/12/491039312.db2.gz URXDOJZIBJNJAH-UHFFFAOYSA-N 1 0 190.290 2.014 10 0 AEAERO CC[C@H](C)[NH2+]C[C@H]1CC1(C)C 222029632 491040705 /nfs/dbraw/zinc/04/07/05/491040705.db2.gz BFVMIKMAPZVYOM-DTWKUNHWSA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@H](C)[NH2+]C[C@@H]1CC1(C)C 222029532 491040708 /nfs/dbraw/zinc/04/07/08/491040708.db2.gz BFVMIKMAPZVYOM-IUCAKERBSA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@H](C)[NH2+]CCc1csc(C)n1 221959724 491040734 /nfs/dbraw/zinc/04/07/34/491040734.db2.gz IBVVZVQCOUVEET-QMMMGPOBSA-N 1 0 198.335 2.382 10 0 AEAERO Cc1ccncc1C[NH2+]CC1CCC1 135437554 491039572 /nfs/dbraw/zinc/03/95/72/491039572.db2.gz JKKCQWLPDLFAEP-UHFFFAOYSA-N 1 0 190.290 2.280 10 0 AEAERO CCC[C@@H](C)C[NH2+]C(C)(C)COC 135090181 491039580 /nfs/dbraw/zinc/03/95/80/491039580.db2.gz NAWVBULKZSPUEQ-SNVBAGLBSA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)COCC 222167651 491040769 /nfs/dbraw/zinc/04/07/69/491040769.db2.gz JLOJOCSKZBPFFU-HBNTYKKESA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 135007318 491039609 /nfs/dbraw/zinc/03/96/09/491039609.db2.gz GHORCZLUSMSDQW-RQJHMYQMSA-N 1 0 199.323 2.296 10 0 AEAERO CCC[C@H](C)C[NH2+]C(C)(C)COC 135090203 491039612 /nfs/dbraw/zinc/03/96/12/491039612.db2.gz NAWVBULKZSPUEQ-JTQLQIEISA-N 1 0 187.327 2.437 10 0 AEAERO CC[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 135007334 491039645 /nfs/dbraw/zinc/03/96/45/491039645.db2.gz GHORCZLUSMSDQW-BQBZGAKWSA-N 1 0 199.323 2.296 10 0 AEAERO CC[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 135007353 491039672 /nfs/dbraw/zinc/03/96/72/491039672.db2.gz GHORCZLUSMSDQW-RNFRBKRXSA-N 1 0 199.323 2.296 10 0 AEAERO CC[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 135007375 491039679 /nfs/dbraw/zinc/03/96/79/491039679.db2.gz GHORCZLUSMSDQW-NKWVEPMBSA-N 1 0 199.323 2.296 10 0 AEAERO Cc1ccncc1C[NH2+]CCC1CC1 135464402 491039712 /nfs/dbraw/zinc/03/97/12/491039712.db2.gz XTEBIHRFGNOING-UHFFFAOYSA-N 1 0 190.290 2.280 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCOCC1 222162746 491040801 /nfs/dbraw/zinc/04/08/01/491040801.db2.gz CYVIABDSVCGEAF-IJLUTSLNSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C1CC1 222483596 491041025 /nfs/dbraw/zinc/04/10/25/491041025.db2.gz YHCLKJACJMRIOE-LDYMZIIASA-N 1 0 193.294 2.249 10 0 AEAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC1 225282092 491042163 /nfs/dbraw/zinc/04/21/63/491042163.db2.gz BBCIIQNBZQNCEU-TUAOUCFPSA-N 1 0 197.322 2.068 10 0 AEAERO CCCCC[NH2+]C(C)(C)C(C)(C)O 227345306 491043621 /nfs/dbraw/zinc/04/36/21/491043621.db2.gz LLVAWPUXTOTJFA-UHFFFAOYSA-N 1 0 187.327 2.316 10 0 AEAERO CC(C)C[C@H](C)[NH2+]CCC[C@@H](C)O 228044160 491044301 /nfs/dbraw/zinc/04/43/01/491044301.db2.gz LRVSGFOSVCYBAZ-WDEREUQCSA-N 1 0 187.327 2.172 10 0 AEAERO CC(C)C[C@@H](C)[NH2+]CCC[C@@H](C)O 228044151 491044302 /nfs/dbraw/zinc/04/43/02/491044302.db2.gz LRVSGFOSVCYBAZ-GHMZBOCLSA-N 1 0 187.327 2.172 10 0 AEAERO CC(C)C1CC([NH2+]CCC[C@@H](C)O)C1 228026488 491044322 /nfs/dbraw/zinc/04/43/22/491044322.db2.gz XAOANPMPJZTIIH-VOMCLLRMSA-N 1 0 199.338 2.172 10 0 AEAERO CC(C)C[C@H](C)[NH2+]CCC[C@H](C)O 228044178 491044329 /nfs/dbraw/zinc/04/43/29/491044329.db2.gz LRVSGFOSVCYBAZ-QWRGUYRKSA-N 1 0 187.327 2.172 10 0 AEAERO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C1CC1 222483467 491041010 /nfs/dbraw/zinc/04/10/10/491041010.db2.gz YHCLKJACJMRIOE-GZMMTYOYSA-N 1 0 193.294 2.249 10 0 AEAERO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C1CC1 222483527 491041014 /nfs/dbraw/zinc/04/10/14/491041014.db2.gz YHCLKJACJMRIOE-KWQFWETISA-N 1 0 193.294 2.249 10 0 AEAERO CCC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 222463754 491041020 /nfs/dbraw/zinc/04/10/20/491041020.db2.gz WCYVBNMPYWMDMN-RKDXNWHRSA-N 1 0 181.283 2.249 10 0 AEAERO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C 228280555 491044334 /nfs/dbraw/zinc/04/43/34/491044334.db2.gz FXJGPAJVRYAAJZ-OUAUKWLOSA-N 1 0 199.338 2.172 10 0 AEAERO CCC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 222463812 491041046 /nfs/dbraw/zinc/04/10/46/491041046.db2.gz WCYVBNMPYWMDMN-DTWKUNHWSA-N 1 0 181.283 2.249 10 0 AEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 222489838 491041055 /nfs/dbraw/zinc/04/10/55/491041055.db2.gz ICWSHSXOHKOMHA-AEJSXWLSSA-N 1 0 195.310 2.495 10 0 AEAERO CCC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 222463688 491041060 /nfs/dbraw/zinc/04/10/60/491041060.db2.gz WCYVBNMPYWMDMN-IUCAKERBSA-N 1 0 181.283 2.249 10 0 AEAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cn[nH]c1 222489070 491041065 /nfs/dbraw/zinc/04/10/65/491041065.db2.gz GDPOHLFKFMCBMJ-WCABBAIRSA-N 1 0 193.294 2.249 10 0 AEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cn[nH]c1 222497355 491041067 /nfs/dbraw/zinc/04/10/67/491041067.db2.gz LTPWPLIXCWDADV-ATZCPNFKSA-N 1 0 193.294 2.249 10 0 AEAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cn[nH]c1 222489197 491041069 /nfs/dbraw/zinc/04/10/69/491041069.db2.gz GDPOHLFKFMCBMJ-YWVKMMECSA-N 1 0 193.294 2.249 10 0 AEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cn[nH]c1 222497475 491041080 /nfs/dbraw/zinc/04/10/80/491041080.db2.gz LTPWPLIXCWDADV-QXEWZRGKSA-N 1 0 193.294 2.249 10 0 AEAERO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)C1CC1 222483660 491041083 /nfs/dbraw/zinc/04/10/83/491041083.db2.gz YHCLKJACJMRIOE-KCJUWKMLSA-N 1 0 193.294 2.249 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cn[nH]c2)C1 222489133 491041098 /nfs/dbraw/zinc/04/10/98/491041098.db2.gz GDPOHLFKFMCBMJ-KKZNHRDASA-N 1 0 193.294 2.249 10 0 AEAERO 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IBFSUWXXJAVBEP-UHFFFAOYSA-N 1 0 194.278 2.263 10 0 AEAERO Cc1ccc(C[NH2+]CC[C@H](C)F)cn1 378792736 697788050 /nfs/dbraw/zinc/78/80/50/697788050.db2.gz NYWWUMKHSFUTEL-VIFPVBQESA-N 1 0 196.269 2.228 10 0 AEAERO Cc1ccc(C[NH2+]CC[C@@H](C)F)cn1 378792726 697788074 /nfs/dbraw/zinc/78/80/74/697788074.db2.gz NYWWUMKHSFUTEL-SECBINFHSA-N 1 0 196.269 2.228 10 0 AEAERO C[C@@H](CCO)[NH2+]C1CC(C(C)(C)C)C1 378852933 697790030 /nfs/dbraw/zinc/79/00/30/697790030.db2.gz HLYJHZCAGWOHNS-WHXUTIOJSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@H](CCO)[NH2+]C1CC(C(C)(C)C)C1 378852932 697790045 /nfs/dbraw/zinc/79/00/45/697790045.db2.gz HLYJHZCAGWOHNS-KPPDAEKUSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@H](F)CC[NH2+]Cc1ccoc1 378854508 697790134 /nfs/dbraw/zinc/79/01/34/697790134.db2.gz IZNRCZVTRJVDSQ-QMMMGPOBSA-N 1 0 171.215 2.117 10 0 AEAERO C[C@@H](F)CC[NH2+]Cc1ccoc1 378854507 697790259 /nfs/dbraw/zinc/79/02/59/697790259.db2.gz IZNRCZVTRJVDSQ-MRVPVSSYSA-N 1 0 171.215 2.117 10 0 AEAERO C[C@H]1[C@H](C)C[N@@H+]1C/C=C\Cl 378874537 697794563 /nfs/dbraw/zinc/79/45/63/697794563.db2.gz WWGBBROMYJJZHW-WLFSLNMXSA-N 1 0 159.660 2.079 10 0 AEAERO C[C@@H]1C[N@H+](C/C=C\Cl)[C@@H]1C 378874536 697794647 /nfs/dbraw/zinc/79/46/47/697794647.db2.gz WWGBBROMYJJZHW-PYWFFMSPSA-N 1 0 159.660 2.079 10 0 AEAERO CCCCC[NH2+]CC1(F)CC1 378958151 697795605 /nfs/dbraw/zinc/79/56/05/697795605.db2.gz WBIXXESAAKMWRZ-UHFFFAOYSA-N 1 0 159.248 2.268 10 0 AEAERO CC[C@@H]1CC[N@@H+]1C/C=C\Cl 378972587 697796170 /nfs/dbraw/zinc/79/61/70/697796170.db2.gz GTAHDRZLDSHRSV-QIUOEGRZSA-N 1 0 159.660 2.223 10 0 AEAERO CC[C@H]1CC[N@@H+]1C/C=C\Cl 378972586 697796369 /nfs/dbraw/zinc/79/63/69/697796369.db2.gz GTAHDRZLDSHRSV-NHLYECAPSA-N 1 0 159.660 2.223 10 0 AEAERO CCSCC[NH2+]C/C=C\Cl 378983165 697797026 /nfs/dbraw/zinc/79/70/26/697797026.db2.gz MNSAJTPSPLPRHP-ARJAWSKDSA-N 1 0 179.716 2.082 10 0 AEAERO CCC(CC)[N@H+](CC)CCF 379145943 697798423 /nfs/dbraw/zinc/79/84/23/697798423.db2.gz AFPOJEZZHFMEOF-UHFFFAOYSA-N 1 0 161.264 2.466 10 0 AEAERO Cl/C=C\C[N@@H+]1CCCSCC1 379240739 697801085 /nfs/dbraw/zinc/80/10/85/697801085.db2.gz WPUMIMGQVJLRBD-IWQZZHSRSA-N 1 0 191.727 2.178 10 0 AEAERO FCCCC[NH2+]Cc1ccoc1 379313433 697807323 /nfs/dbraw/zinc/80/73/23/697807323.db2.gz HMONUDOBWFOWLL-UHFFFAOYSA-N 1 0 171.215 2.119 10 0 AEAERO C/C=C\C[NH2+]Cc1cnc(C)s1 379317985 697811925 /nfs/dbraw/zinc/81/19/25/697811925.db2.gz IQZKGADQWGVOQL-ARJAWSKDSA-N 1 0 182.292 2.117 10 0 AEAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCF 379322353 697815187 /nfs/dbraw/zinc/81/51/87/697815187.db2.gz IOBDTMCPJAFZMD-ZJUUUORDSA-N 1 0 173.275 2.370 10 0 AEAERO CC(C)[C@H]1CC[C@H]1[NH2+]CCCF 379322350 697815267 /nfs/dbraw/zinc/81/52/67/697815267.db2.gz IOBDTMCPJAFZMD-NXEZZACHSA-N 1 0 173.275 2.370 10 0 AEAERO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCF 379322352 697815450 /nfs/dbraw/zinc/81/54/50/697815450.db2.gz IOBDTMCPJAFZMD-VHSXEESVSA-N 1 0 173.275 2.370 10 0 AEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCF 379322351 697815535 /nfs/dbraw/zinc/81/55/35/697815535.db2.gz IOBDTMCPJAFZMD-UWVGGRQHSA-N 1 0 173.275 2.370 10 0 AEAERO FCCCCC[N@@H+]1CC[C@H]2C[C@H]21 379326177 697818722 /nfs/dbraw/zinc/81/87/22/697818722.db2.gz GQLUEXAKHQXWBO-VHSXEESVSA-N 1 0 171.259 2.220 10 0 AEAERO FCCCCC[N@@H+]1CC[C@@H]2C[C@@H]21 379326178 697819315 /nfs/dbraw/zinc/81/93/15/697819315.db2.gz GQLUEXAKHQXWBO-ZJUUUORDSA-N 1 0 171.259 2.220 10 0 AEAERO FC(F)[C@H]1CC[N@H+](C/C=C\Cl)C1 379326552 697819625 /nfs/dbraw/zinc/81/96/25/697819625.db2.gz INQYLUHPHQNHIO-YYHMEYGGSA-N 1 0 195.640 2.326 10 0 AEAERO FC(F)[C@@H]1CC[N@H+](C/C=C\Cl)C1 379326551 697819636 /nfs/dbraw/zinc/81/96/36/697819636.db2.gz INQYLUHPHQNHIO-BYXPXVBTSA-N 1 0 195.640 2.326 10 0 AEAERO FC1(C[NH2+]CCC2CCC2)CC1 379335579 697829155 /nfs/dbraw/zinc/82/91/55/697829155.db2.gz URQWGELXYPTBNB-UHFFFAOYSA-N 1 0 171.259 2.268 10 0 AEAERO CSC(C)(C)C[NH2+]CC1(F)CC1 379336999 697830111 /nfs/dbraw/zinc/83/01/11/697830111.db2.gz USXFVEZNQSHDGI-UHFFFAOYSA-N 1 0 191.315 2.220 10 0 AEAERO CCCC[C@H](C)[N@H+](C)CCC(C)=O 379341864 697832554 /nfs/dbraw/zinc/83/25/54/697832554.db2.gz AHONDOSKKKDQJW-JTQLQIEISA-N 1 0 185.311 2.476 10 0 AEAERO CCCC[C@@H](C)[N@H+](C)CCC(C)=O 379341865 697832926 /nfs/dbraw/zinc/83/29/26/697832926.db2.gz AHONDOSKKKDQJW-SNVBAGLBSA-N 1 0 185.311 2.476 10 0 AEAERO CCC(C)(C)[NH2+]Cc1nnc(C)s1 379357538 697838810 /nfs/dbraw/zinc/83/88/10/697838810.db2.gz RQGZPVBVGGTIAO-UHFFFAOYSA-N 1 0 199.323 2.125 10 0 AEAERO Cc1ccccc1C[N@H+](C)CCF 379359929 697841384 /nfs/dbraw/zinc/84/13/84/697841384.db2.gz BFFANBOJPXYTKN-UHFFFAOYSA-N 1 0 181.254 2.396 10 0 AEAERO CCC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1C 379362533 697843048 /nfs/dbraw/zinc/84/30/48/697843048.db2.gz DVFKHTIGQVPINH-NXEZZACHSA-N 1 0 183.295 2.086 10 0 AEAERO CCC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1C 379362540 697843066 /nfs/dbraw/zinc/84/30/66/697843066.db2.gz DVFKHTIGQVPINH-VHSXEESVSA-N 1 0 183.295 2.086 10 0 AEAERO CCC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1C 379362537 697843079 /nfs/dbraw/zinc/84/30/79/697843079.db2.gz DVFKHTIGQVPINH-UWVGGRQHSA-N 1 0 183.295 2.086 10 0 AEAERO CCC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1C 379362544 697843188 /nfs/dbraw/zinc/84/31/88/697843188.db2.gz DVFKHTIGQVPINH-ZJUUUORDSA-N 1 0 183.295 2.086 10 0 AEAERO C[C@@H](C[NH2+]C(C)(C)CO)C(C)(C)C 379372943 697849847 /nfs/dbraw/zinc/84/98/47/697849847.db2.gz WCZMQIHMBFRULC-VIFPVBQESA-N 1 0 187.327 2.029 10 0 AEAERO C[C@H](C[NH2+]C(C)(C)CO)C(C)(C)C 379372942 697850000 /nfs/dbraw/zinc/85/00/00/697850000.db2.gz WCZMQIHMBFRULC-SECBINFHSA-N 1 0 187.327 2.029 10 0 AEAERO CCOCC[NH2+][C@@H]1CC[C@H]1C(C)C 379376213 697851986 /nfs/dbraw/zinc/85/19/86/697851986.db2.gz SHNBAXUELYFTTP-WDEREUQCSA-N 1 0 185.311 2.047 10 0 AEAERO CCOCC[NH2+][C@@H]1CC[C@@H]1C(C)C 379376210 697852266 /nfs/dbraw/zinc/85/22/66/697852266.db2.gz SHNBAXUELYFTTP-GHMZBOCLSA-N 1 0 185.311 2.047 10 0 AEAERO CCOCC[NH2+][C@H]1CC[C@H]1C(C)C 379376212 697852333 /nfs/dbraw/zinc/85/23/33/697852333.db2.gz SHNBAXUELYFTTP-QWRGUYRKSA-N 1 0 185.311 2.047 10 0 AEAERO CCOCC[NH2+][C@H]1CC[C@@H]1C(C)C 379376211 697852345 /nfs/dbraw/zinc/85/23/45/697852345.db2.gz SHNBAXUELYFTTP-MNOVXSKESA-N 1 0 185.311 2.047 10 0 AEAERO CCCC[C@H](CC)[NH2+][C@@H](C)[C@H](C)O 379379050 697855150 /nfs/dbraw/zinc/85/51/50/697855150.db2.gz BDEGIZWFMSNJNA-DCAQKATOSA-N 1 0 187.327 2.314 10 0 AEAERO CCCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)O 379379060 697855045 /nfs/dbraw/zinc/85/50/45/697855045.db2.gz BDEGIZWFMSNJNA-MXWKQRLJSA-N 1 0 187.327 2.314 10 0 AEAERO CCCC[C@H](CC)[NH2+][C@@H](C)[C@@H](C)O 379379044 697855132 /nfs/dbraw/zinc/85/51/32/697855132.db2.gz BDEGIZWFMSNJNA-AXFHLTTASA-N 1 0 187.327 2.314 10 0 AEAERO CCCC[C@H](CC)[NH2+][C@H](C)[C@H](C)O 379379063 697855164 /nfs/dbraw/zinc/85/51/64/697855164.db2.gz BDEGIZWFMSNJNA-VWYCJHECSA-N 1 0 187.327 2.314 10 0 AEAERO COC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C 379389079 697864581 /nfs/dbraw/zinc/86/45/81/697864581.db2.gz KUYIIYZROSFPSP-HBNTYKKESA-N 1 0 185.311 2.046 10 0 AEAERO COC[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C 379389077 697864693 /nfs/dbraw/zinc/86/46/93/697864693.db2.gz KUYIIYZROSFPSP-DCAQKATOSA-N 1 0 185.311 2.046 10 0 AEAERO COC[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C 379389076 697864777 /nfs/dbraw/zinc/86/47/77/697864777.db2.gz KUYIIYZROSFPSP-AXFHLTTASA-N 1 0 185.311 2.046 10 0 AEAERO COC[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C 379389078 697864868 /nfs/dbraw/zinc/86/48/68/697864868.db2.gz KUYIIYZROSFPSP-GARJFASQSA-N 1 0 185.311 2.046 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 379398827 697873889 /nfs/dbraw/zinc/87/38/89/697873889.db2.gz FUPIHKFANZQZTH-YJQGPUDQSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 379398824 697873912 /nfs/dbraw/zinc/87/39/12/697873912.db2.gz FUPIHKFANZQZTH-HJQYOEGKSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 379398825 697873956 /nfs/dbraw/zinc/87/39/56/697873956.db2.gz FUPIHKFANZQZTH-HKWIRBFKSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 379398826 697874168 /nfs/dbraw/zinc/87/41/68/697874168.db2.gz FUPIHKFANZQZTH-KXGXSXBTSA-N 1 0 179.307 2.421 10 0 AEAERO CC(=O)CC[N@@H+](C(C)C)C1CCC1 379407496 697882620 /nfs/dbraw/zinc/88/26/20/697882620.db2.gz YUEIWBYBSJXWGQ-UHFFFAOYSA-N 1 0 183.295 2.228 10 0 AEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(C)=O 379409445 697884699 /nfs/dbraw/zinc/88/46/99/697884699.db2.gz CYGJTCPSAFMUPP-MWLCHTKSSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(C)=O 379409444 697884774 /nfs/dbraw/zinc/88/47/74/697884774.db2.gz CYGJTCPSAFMUPP-KOLCDFICSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(C)=O 379409443 697884787 /nfs/dbraw/zinc/88/47/87/697884787.db2.gz CYGJTCPSAFMUPP-GXSJLCMTSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(C)=O 379409446 697884845 /nfs/dbraw/zinc/88/48/45/697884845.db2.gz CYGJTCPSAFMUPP-ONGXEEELSA-N 1 0 183.295 2.086 10 0 AEAERO CCCCCC[N@@H+]1CC[C@@H](OC)C1 379409455 697885079 /nfs/dbraw/zinc/88/50/79/697885079.db2.gz CYQTYPPKIPUDTD-LLVKDONJSA-N 1 0 185.311 2.287 10 0 AEAERO CCC(=O)CC[N@H+](C)CCC(C)C 379409792 697885150 /nfs/dbraw/zinc/88/51/50/697885150.db2.gz DPFZXIPSBOEHMF-UHFFFAOYSA-N 1 0 185.311 2.334 10 0 AEAERO C[C@H]([NH2+]Cc1ccon1)C(C)(C)C 379409972 697885591 /nfs/dbraw/zinc/88/55/91/697885591.db2.gz FBXNYLHDHMVOFE-QMMMGPOBSA-N 1 0 182.267 2.199 10 0 AEAERO c1cc(C[NH2+]C2(C3CC3)CC2)co1 379413928 697889707 /nfs/dbraw/zinc/88/97/07/697889707.db2.gz MWZBRYRJKXIEBT-UHFFFAOYSA-N 1 0 177.247 2.312 10 0 AEAERO CC[C@]1(C)CC[N@H+](CCC(C)=O)C1 379414301 697889886 /nfs/dbraw/zinc/88/98/86/697889886.db2.gz NVMWTLOJHYXWJT-LLVKDONJSA-N 1 0 183.295 2.088 10 0 AEAERO CC[C@@]1(C)CC[N@H+](CCC(C)=O)C1 379414302 697890125 /nfs/dbraw/zinc/89/01/25/697890125.db2.gz NVMWTLOJHYXWJT-NSHDSACASA-N 1 0 183.295 2.088 10 0 AEAERO C[C@@H]([NH2+]Cc1cc[nH]c1)C1(C)CC1 379414918 697890513 /nfs/dbraw/zinc/89/05/13/697890513.db2.gz OYJDRNYOHOFQNK-SECBINFHSA-N 1 0 178.279 2.293 10 0 AEAERO C[C@H]([NH2+]Cc1cc[nH]c1)C1(C)CC1 379414919 697890789 /nfs/dbraw/zinc/89/07/89/697890789.db2.gz OYJDRNYOHOFQNK-VIFPVBQESA-N 1 0 178.279 2.293 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167020933 /nfs/dbraw/zinc/02/09/33/167020933.db2.gz SHQXACHGISBKEF-JTQLQIEISA-N 1 0 193.290 2.365 10 0 AEAERO CCCOc1cccc2c1CC[NH2+]C2 90449113 167021349 /nfs/dbraw/zinc/02/13/49/167021349.db2.gz LNGURMGIWUEDDV-UHFFFAOYSA-N 1 0 191.274 2.121 10 0 AEAERO CCCOc1cccc([C@@H]2C[C@@H]2[NH3+])c1 52921932 167021528 /nfs/dbraw/zinc/02/15/28/167021528.db2.gz MPWATNNAQNDRSV-RYUDHWBXSA-N 1 0 191.274 2.290 10 0 AEAERO CCCOc1cccc(F)c1C[NH3+] 36307148 167021676 /nfs/dbraw/zinc/02/16/76/167021676.db2.gz GSXCSVIUMDJTLF-UHFFFAOYSA-N 1 0 183.226 2.073 10 0 AEAERO CCCOc1ccccc1C[C@@H](C)[NH3+] 37486485 167021787 /nfs/dbraw/zinc/02/17/87/167021787.db2.gz SHQXACHGISBKEF-SNVBAGLBSA-N 1 0 193.290 2.365 10 0 AEAERO CCCOc1cccc([C@H]2C[C@H]2[NH3+])c1 52921935 167022265 /nfs/dbraw/zinc/02/22/65/167022265.db2.gz MPWATNNAQNDRSV-VXGBXAGGSA-N 1 0 191.274 2.290 10 0 AEAERO CCCOc1cccc(C[C@@H](C)[NH3+])c1 37726514 167022692 /nfs/dbraw/zinc/02/26/92/167022692.db2.gz AVRLNSPRRPACDL-SNVBAGLBSA-N 1 0 193.290 2.365 10 0 AEAERO CCCOc1cccc([C@@H]2C[C@H]2[NH3+])c1 52921934 167022857 /nfs/dbraw/zinc/02/28/57/167022857.db2.gz MPWATNNAQNDRSV-NWDGAFQWSA-N 1 0 191.274 2.290 10 0 AEAERO CCCOc1cccc(C[C@H](C)[NH3+])c1 37726515 167022861 /nfs/dbraw/zinc/02/28/61/167022861.db2.gz AVRLNSPRRPACDL-JTQLQIEISA-N 1 0 193.290 2.365 10 0 AEAERO CCCSc1ccc(C(N)=[NH2+])cc1 19870353 167023184 /nfs/dbraw/zinc/02/31/84/167023184.db2.gz ZYHWVCKDJWZDFT-UHFFFAOYSA-N 1 0 194.303 2.473 10 0 AEAERO CCCS[C@H](CC)CC[NH3+] 35722433 167023220 /nfs/dbraw/zinc/02/32/20/167023220.db2.gz OROHHJBRGURUFB-MRVPVSSYSA-N 1 0 161.314 2.257 10 0 AEAERO CCCS[C@@H](C[NH3+])c1ccccn1 43344755 167023298 /nfs/dbraw/zinc/02/32/98/167023298.db2.gz FQEQEGJSAVKLTE-JTQLQIEISA-N 1 0 196.319 2.225 10 0 AEAERO CCCS[C@@H](CC)CC[NH3+] 35722432 167023455 /nfs/dbraw/zinc/02/34/55/167023455.db2.gz OROHHJBRGURUFB-QMMMGPOBSA-N 1 0 161.314 2.257 10 0 AEAERO CCCSc1ccnc(C[NH3+])c1 61812242 167023603 /nfs/dbraw/zinc/02/36/03/167023603.db2.gz NHYJQULLTHBOIQ-UHFFFAOYSA-N 1 0 182.292 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/nfs/dbraw/zinc/06/08/65/167060865.db2.gz NOJCJWNYFGCQET-IUCAKERBSA-N 1 0 141.258 2.032 10 0 AEAERO CCC[C@@]1(c2ccccc2)C[C@@H]1[NH3+] 52126079 167060931 /nfs/dbraw/zinc/06/09/31/167060931.db2.gz NVEYWRSCLKTUQJ-RYUDHWBXSA-N 1 0 175.275 2.456 10 0 AEAERO CCC[C@H](C(C)C)[C@H](C)[NH3+] 61686236 167060972 /nfs/dbraw/zinc/06/09/72/167060972.db2.gz KXEYTMZSHMDXOY-DTWKUNHWSA-N 1 0 143.274 2.406 10 0 AEAERO CCC[C@@]1(C)C[C@@H]1C[NH2+]C 54590031 167061299 /nfs/dbraw/zinc/06/12/99/167061299.db2.gz NOJCJWNYFGCQET-BDAKNGLRSA-N 1 0 141.258 2.032 10 0 AEAERO CCC[C@@]1(c2ccccc2)C[C@H]1[NH3+] 52126081 167061750 /nfs/dbraw/zinc/06/17/50/167061750.db2.gz NVEYWRSCLKTUQJ-NEPJUHHUSA-N 1 0 175.275 2.456 10 0 AEAERO CCC[C@H](C(C)C)[C@@H](C)[NH3+] 61686234 167062057 /nfs/dbraw/zinc/06/20/57/167062057.db2.gz KXEYTMZSHMDXOY-RKDXNWHRSA-N 1 0 143.274 2.406 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1CN 49954066 167063222 /nfs/dbraw/zinc/06/32/22/167063222.db2.gz KHZMXQGNNCDAGQ-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@@H]1CCCOC1 38044301 167063286 /nfs/dbraw/zinc/06/32/86/167063286.db2.gz QUUBMYFJJVIGHD-RYUDHWBXSA-N 1 0 199.338 2.439 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H](C)COCC 44690341 167063310 /nfs/dbraw/zinc/06/33/10/167063310.db2.gz HCCZEGRHHBXXIZ-QWRGUYRKSA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@H](C)C[NH2+]C1CC1 20083013 167063456 /nfs/dbraw/zinc/06/34/56/167063456.db2.gz XFCUEZDLJWVRPU-QMMMGPOBSA-N 1 0 141.258 2.175 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H](C)COC 20087541 167063629 /nfs/dbraw/zinc/06/36/29/167063629.db2.gz VICMAUMWLLRLFV-VHSXEESVSA-N 1 0 173.300 2.047 10 0 AEAERO CCC[C@H](C)C[NH2+]CCCOCC 20092253 167063751 /nfs/dbraw/zinc/06/37/51/167063751.db2.gz XNJCHSYPVWPWOB-NSHDSACASA-N 1 0 187.327 2.439 10 0 AEAERO CCC[C@H](C)C[NH2+]Cc1c[nH]nc1C 38011206 167063831 /nfs/dbraw/zinc/06/38/31/167063831.db2.gz HJLUQTOALUBWDB-VIFPVBQESA-N 1 0 195.310 2.244 10 0 AEAERO CCC[C@H](C)C[NH2+]C(C)C 20085516 167063897 /nfs/dbraw/zinc/06/38/97/167063897.db2.gz RJAPGUHSRRUUNE-VIFPVBQESA-N 1 0 143.274 2.421 10 0 AEAERO CCC[C@H](C)CC[C@@H]([NH3+])COC 51695189 167063962 /nfs/dbraw/zinc/06/39/62/167063962.db2.gz CVMWBLIKTUAWHC-VHSXEESVSA-N 1 0 173.300 2.177 10 0 AEAERO CCC[C@H](C)CN(C)CC[NH2+]C1CC1 51321047 167063997 /nfs/dbraw/zinc/06/39/97/167063997.db2.gz SENZXGKLTOBEAD-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@H](C)C[N@H+](CCC)CCN 51297820 167064126 /nfs/dbraw/zinc/06/41/26/167064126.db2.gz NDYWVWPKJRDPFO-NSHDSACASA-N 1 0 186.343 2.093 10 0 AEAERO CCC[C@H](C)C[N@H+](C)C(C)(C)CN 51320199 167064146 /nfs/dbraw/zinc/06/41/46/167064146.db2.gz CCXHPIWMNIWAJR-JTQLQIEISA-N 1 0 186.343 2.092 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CCCN(C)C1 40672498 167064226 /nfs/dbraw/zinc/06/42/26/167064226.db2.gz DVGGTAZTYUNPDD-RYUDHWBXSA-N 1 0 198.354 2.106 10 0 AEAERO CCC[C@H](C)C[NH2+]CC 20084546 167064397 /nfs/dbraw/zinc/06/43/97/167064397.db2.gz DRJSXKJGJHMHJD-QMMMGPOBSA-N 1 0 129.247 2.032 10 0 AEAERO CCC[C@H](C)C[N@H+](CCN)C(C)C 51297817 167064581 /nfs/dbraw/zinc/06/45/81/167064581.db2.gz SEPXELSQHGMSHZ-NSHDSACASA-N 1 0 186.343 2.092 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@H](C)COC 45656882 167064651 /nfs/dbraw/zinc/06/46/51/167064651.db2.gz VWYBEPXLBUCSIR-QWRGUYRKSA-N 1 0 187.327 2.295 10 0 AEAERO CCC[C@H](C)CC[C@@H](COC)[NH2+]C 51695508 167064684 /nfs/dbraw/zinc/06/46/84/167064684.db2.gz YHZQJICBGASVKG-QWRGUYRKSA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@H](C)CC[C@H]([NH3+])COC 51695186 167064688 /nfs/dbraw/zinc/06/46/88/167064688.db2.gz CVMWBLIKTUAWHC-UWVGGRQHSA-N 1 0 173.300 2.177 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@H]1CCCOC1 38044303 167065192 /nfs/dbraw/zinc/06/51/92/167065192.db2.gz QUUBMYFJJVIGHD-NWDGAFQWSA-N 1 0 199.338 2.439 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H](C)COCC 44690344 167065336 /nfs/dbraw/zinc/06/53/36/167065336.db2.gz HCCZEGRHHBXXIZ-WDEREUQCSA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@H](C)CCC[NH3+] 44279490 167065460 /nfs/dbraw/zinc/06/54/60/167065460.db2.gz FFAFBLIKEVZQGQ-QMMMGPOBSA-N 1 0 129.247 2.162 10 0 AEAERO CCC[C@H](C)CC[C@H](COC)[NH2+]C 51695511 167065474 /nfs/dbraw/zinc/06/54/74/167065474.db2.gz YHZQJICBGASVKG-WDEREUQCSA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H](C)COC 20087537 167065571 /nfs/dbraw/zinc/06/55/71/167065571.db2.gz VICMAUMWLLRLFV-UWVGGRQHSA-N 1 0 173.300 2.047 10 0 AEAERO CCC[C@H](C)C[NH2+]CCCOC 20142892 167065652 /nfs/dbraw/zinc/06/56/52/167065652.db2.gz BDZGEFNUNJIBOO-JTQLQIEISA-N 1 0 173.300 2.049 10 0 AEAERO CCC[C@H](C)C[NH2+]C[C@@H](C)COC 45656878 167065728 /nfs/dbraw/zinc/06/57/28/167065728.db2.gz VWYBEPXLBUCSIR-WDEREUQCSA-N 1 0 187.327 2.295 10 0 AEAERO CCC[C@H](C)COC1CC[NH2+]CC1 51321790 167065989 /nfs/dbraw/zinc/06/59/89/167065989.db2.gz HCNLLYNJAUUJNK-JTQLQIEISA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@H](C)N(C)c1cc(N)cc[nH+]1 43568950 167066028 /nfs/dbraw/zinc/06/60/28/167066028.db2.gz OFLQVXRRQYULFK-VIFPVBQESA-N 1 0 193.294 2.289 10 0 AEAERO CCC[C@H](C)C[C@@]1(C[NH3+])CCOC1 54637678 167066147 /nfs/dbraw/zinc/06/61/47/167066147.db2.gz CNONULRHIZHTQP-WDEREUQCSA-N 1 0 185.311 2.178 10 0 AEAERO CCC[C@H](C)[N@@H+]1CCC[C@H](O)CC1 306463154 167066186 /nfs/dbraw/zinc/06/61/86/167066186.db2.gz ICDRRFVSLVCQBL-QWRGUYRKSA-N 1 0 185.311 2.022 10 0 AEAERO CCC[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 49693511 167066230 /nfs/dbraw/zinc/06/62/30/167066230.db2.gz HGIMIRASIMPTEP-ZJUUUORDSA-N 1 0 183.295 2.086 10 0 AEAERO CCC[C@H](C)C[C@]1(C[NH3+])CCOC1 54637674 167066303 /nfs/dbraw/zinc/06/63/03/167066303.db2.gz CNONULRHIZHTQP-QWRGUYRKSA-N 1 0 185.311 2.178 10 0 AEAERO CCC[C@H](C)N(C)C(=[NH2+])NCC(C)C 52038091 167066329 /nfs/dbraw/zinc/06/63/29/167066329.db2.gz UKSWWDOJFWJOQQ-JTQLQIEISA-N 1 0 199.342 2.287 10 0 AEAERO CCC[C@H](C)N(C)[C@@H]1CCC[C@@H]1[NH2+]C 43896262 167066491 /nfs/dbraw/zinc/06/64/91/167066491.db2.gz IBISBNWWMBUQDW-SDDRHHMPSA-N 1 0 198.354 2.247 10 0 AEAERO CCC[C@H](C)NC(=[NH2+])NC1CCCC1 52046727 167067151 /nfs/dbraw/zinc/06/71/51/167067151.db2.gz RMEXFZLZMOQMHD-VIFPVBQESA-N 1 0 197.326 2.232 10 0 AEAERO CCC[C@H](C)[N@@H+]1CCC(=O)C[C@@H]1C 49708096 167067158 /nfs/dbraw/zinc/06/71/58/167067158.db2.gz XMMPBUBUZDPNMH-UWVGGRQHSA-N 1 0 183.295 2.228 10 0 AEAERO CCC[C@H](C)COC[C@@H]1CCC[NH2+]1 51816549 167067210 /nfs/dbraw/zinc/06/72/10/167067210.db2.gz ORNVGHIRRUPXMP-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@H](C)COCC[NH2+]CC 51844444 167067255 /nfs/dbraw/zinc/06/72/55/167067255.db2.gz GMPZCYGULOADGE-JTQLQIEISA-N 1 0 173.300 2.049 10 0 AEAERO CCC[C@H](C)N(C)[C@@H](C)[C@@H](C)[NH2+]C 43896420 167067287 /nfs/dbraw/zinc/06/72/87/167067287.db2.gz BQZVAPFYRBZAHC-AXFHLTTASA-N 1 0 186.343 2.103 10 0 AEAERO CCC[C@H](C)CO[C@@H]1CCC[NH2+]C1 51321180 167067341 /nfs/dbraw/zinc/06/73/41/167067341.db2.gz JTESCCQABUKRCG-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@H](C)CO[C@H]1CCC[NH2+]C1 51321184 167067396 /nfs/dbraw/zinc/06/73/96/167067396.db2.gz JTESCCQABUKRCG-QWRGUYRKSA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@H](C)COC[C@H]1CCC[NH2+]C1 51815527 167067498 /nfs/dbraw/zinc/06/74/98/167067498.db2.gz AVUVSHMCGLFJDQ-RYUDHWBXSA-N 1 0 199.338 2.439 10 0 AEAERO CCC[C@H](C)N(C)C(=[NH2+])NC(C)(C)C 52038087 167067629 /nfs/dbraw/zinc/06/76/29/167067629.db2.gz QCLSIVCFVRLURY-VIFPVBQESA-N 1 0 199.342 2.430 10 0 AEAERO CCC[C@H](C)N(C)c1cc[nH+]cc1N 36790129 167067901 /nfs/dbraw/zinc/06/79/01/167067901.db2.gz IXFKOHVBSKSNSL-VIFPVBQESA-N 1 0 193.294 2.289 10 0 AEAERO CCC[C@H](C)CSCC[NH3+] 51320928 167067954 /nfs/dbraw/zinc/06/79/54/167067954.db2.gz SDGWAHXCDJKRKF-QMMMGPOBSA-N 1 0 161.314 2.115 10 0 AEAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](O)CC1 306463155 167067986 /nfs/dbraw/zinc/06/79/86/167067986.db2.gz ICDRRFVSLVCQBL-WDEREUQCSA-N 1 0 185.311 2.022 10 0 AEAERO CCC[C@H](C)COC[C@@H]1CC[NH2+]C1 51888489 167067990 /nfs/dbraw/zinc/06/79/90/167067990.db2.gz MJNAMJUHQFDYBQ-WDEREUQCSA-N 1 0 185.311 2.049 10 0 AEAERO CCC[C@H](C)N1CCCC1=[NH2+] 20444039 167068006 /nfs/dbraw/zinc/06/80/06/167068006.db2.gz OSTOZCVUSQATRS-QMMMGPOBSA-N 1 0 154.257 2.248 10 0 AEAERO CCC[C@H](C)COC[C@@H]1CCC[NH2+]C1 51815525 167068159 /nfs/dbraw/zinc/06/81/59/167068159.db2.gz AVUVSHMCGLFJDQ-NWDGAFQWSA-N 1 0 199.338 2.439 10 0 AEAERO CCC[C@H](C)COCC[NH2+]C(C)C 51863157 167068193 /nfs/dbraw/zinc/06/81/93/167068193.db2.gz REEFCNBIUJLXMN-NSHDSACASA-N 1 0 187.327 2.437 10 0 AEAERO CCC[C@H](C)N(C)C[C@@H](CC)[NH2+]C 50179328 167068241 /nfs/dbraw/zinc/06/82/41/167068241.db2.gz UUIWNYXCQLDNAB-WDEREUQCSA-N 1 0 186.343 2.105 10 0 AEAERO CCC[C@H](C)NC(=[NH2+])NC(C)(C)C 52040887 167068261 /nfs/dbraw/zinc/06/82/61/167068261.db2.gz UIPOXMAGPUHIRS-QMMMGPOBSA-N 1 0 185.315 2.087 10 0 AEAERO CCC[C@H](C)COC[C@H]1CCC[NH2+]1 51816551 167068266 /nfs/dbraw/zinc/06/82/66/167068266.db2.gz ORNVGHIRRUPXMP-WDEREUQCSA-N 1 0 185.311 2.191 10 0 AEAERO CCC[C@H](C)C[C@H](C)[NH3+] 44410554 167068349 /nfs/dbraw/zinc/06/83/49/167068349.db2.gz LBICVBGBKHUMDO-YUMQZZPRSA-N 1 0 129.247 2.160 10 0 AEAERO CCC[C@H](C)[N@H+](C)CC(=O)CC 50179819 167068462 /nfs/dbraw/zinc/06/84/62/167068462.db2.gz 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CCC[C@](C)(CN)[N@@H+]1CCC[C@H](C)C1 34754761 167094999 /nfs/dbraw/zinc/09/49/99/167094999.db2.gz OPLIBJLZISLYIM-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@]1(c2ccccc2)C[C@@H]1[NH3+] 52126078 167095288 /nfs/dbraw/zinc/09/52/88/167095288.db2.gz NVEYWRSCLKTUQJ-NWDGAFQWSA-N 1 0 175.275 2.456 10 0 AEAERO CCC[C@]1(C)C[C@@H]1C[NH2+]C 54590030 167095390 /nfs/dbraw/zinc/09/53/90/167095390.db2.gz NOJCJWNYFGCQET-RKDXNWHRSA-N 1 0 141.258 2.032 10 0 AEAERO C[N@@H+]1CCC[C@](O)(CC2CCCC2)C1 134131239 343934753 /nfs/dbraw/zinc/93/47/53/343934753.db2.gz CJMLNSLDNKZQAH-LBPRGKRZSA-N 1 0 197.322 2.023 10 0 AEAERO CCC[C@]1(C)CCCC[NH2+]1 77260330 167095893 /nfs/dbraw/zinc/09/58/93/167095893.db2.gz CHXHOHQHFYYCDU-SECBINFHSA-N 1 0 141.258 2.319 10 0 AEAERO CCC[C@]1(c2ccccc2)C[C@H]1[NH3+] 52126080 167095923 /nfs/dbraw/zinc/09/59/23/167095923.db2.gz NVEYWRSCLKTUQJ-VXGBXAGGSA-N 1 0 175.275 2.456 10 0 AEAERO CN(C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 134145902 343934759 /nfs/dbraw/zinc/93/47/59/343934759.db2.gz 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167104430 /nfs/dbraw/zinc/10/44/30/167104430.db2.gz GTSQMNFIPMSMNI-NWDGAFQWSA-N 1 0 175.275 2.454 10 0 AEAERO CCCc1ccc([C@@H](O)[C@H](C)[NH3+])cc1 71506534 167104435 /nfs/dbraw/zinc/10/44/35/167104435.db2.gz SRAXBSZDDKRANS-CABZTGNLSA-N 1 0 193.290 2.020 10 0 AEAERO CCCc1ccc(O[C@@H](C)C[NH3+])cc1 11946164 167104477 /nfs/dbraw/zinc/10/44/77/167104477.db2.gz DFYOOUNWXSDKMW-JTQLQIEISA-N 1 0 193.290 2.365 10 0 AEAERO C[C@H]1CCC[C@@H](N2CCCC(=O)C2)C1 134172720 343935622 /nfs/dbraw/zinc/93/56/22/343935622.db2.gz RMVZIIKRTDRCAN-WDEREUQCSA-N 1 0 195.306 2.230 10 0 AEAERO CCCc1ccc([C@H]([NH3+])COC)cc1 23070924 167104792 /nfs/dbraw/zinc/10/47/92/167104792.db2.gz ATDQXQHVENIGBF-GFCCVEGCSA-N 1 0 193.290 2.285 10 0 AEAERO CCCc1ccc(COCC[NH3+])cc1 77278286 167104809 /nfs/dbraw/zinc/10/48/09/167104809.db2.gz CGDDCYXQOKDFBJ-UHFFFAOYSA-N 1 0 193.290 2.114 10 0 AEAERO CCCc1ccc([C@H]2C[NH2+]CO2)cc1 82530444 167105502 /nfs/dbraw/zinc/10/55/02/167105502.db2.gz CNOCJQDCQIUEHN-GFCCVEGCSA-N 1 0 191.274 2.258 10 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CC[C@H](C)Nc1ccc(F)cc1C[NH3+] 71507384 167621075 /nfs/dbraw/zinc/62/10/75/167621075.db2.gz WVUBBSLCMYSNMB-QMMMGPOBSA-N 1 0 196.269 2.495 10 0 AEAERO CC[C@H](C)OCC[NH2+]C(C)(C)C 44106821 167621146 /nfs/dbraw/zinc/62/11/46/167621146.db2.gz RPSQWJRLJWPUCK-VIFPVBQESA-N 1 0 173.300 2.190 10 0 AEAERO CC[C@H](C)SC[C@H]1CC[NH2+]C1 51890962 167622883 /nfs/dbraw/zinc/62/28/83/167622883.db2.gz SOFQYDRRKNNLQQ-IUCAKERBSA-N 1 0 173.325 2.128 10 0 AEAERO CC[C@H](C)SCCC[NH2+]C 42407928 167623014 /nfs/dbraw/zinc/62/30/14/167623014.db2.gz AZGTXURGOFHLRB-QMMMGPOBSA-N 1 0 161.314 2.128 10 0 AEAERO CC[C@H](C)Sc1cc(C[NH3+])ccn1 35719954 167623070 /nfs/dbraw/zinc/62/30/70/167623070.db2.gz XTDIUWYFJOFGHF-QMMMGPOBSA-N 1 0 196.319 2.431 10 0 AEAERO CC[C@H](C)Sc1ncccc1C[NH3+] 35719947 167623215 /nfs/dbraw/zinc/62/32/15/167623215.db2.gz WQELMANBEGIGRH-QMMMGPOBSA-N 1 0 196.319 2.431 10 0 AEAERO CC[C@H](C)O[C@@](C)(CC)C[NH2+]C 51959675 167623326 /nfs/dbraw/zinc/62/33/26/167623326.db2.gz QBTXMMOLHLVYLX-UWVGGRQHSA-N 1 0 173.300 2.190 10 0 AEAERO CC[C@H](C)Oc1ccc(CC[NH3+])cc1 20217258 167623517 /nfs/dbraw/zinc/62/35/17/167623517.db2.gz YARWWHVGAVHZNS-JTQLQIEISA-N 1 0 193.290 2.365 10 0 AEAERO CC[C@H](C)O[C@@H]1CCCC[C@@H]1[NH2+]C 49898942 167623564 /nfs/dbraw/zinc/62/35/64/167623564.db2.gz XTXVQZYZCHWMCO-GARJFASQSA-N 1 0 185.311 2.332 10 0 AEAERO CC[C@H](C)SCCCC(N)=[NH2+] 19870372 167623722 /nfs/dbraw/zinc/62/37/22/167623722.db2.gz ZNSCLUGWZWDVQC-ZETCQYMHSA-N 1 0 174.313 2.234 10 0 AEAERO CC[C@H](C)Oc1cccc(C(N)=[NH2+])c1 20217416 167624049 /nfs/dbraw/zinc/62/40/49/167624049.db2.gz HNMRPRVPJCKWCN-QMMMGPOBSA-N 1 0 192.262 2.148 10 0 AEAERO CC[C@H](C)[C@@H](CN)[NH+]1CCCCCC1 37227972 167625419 /nfs/dbraw/zinc/62/54/19/167625419.db2.gz IAWZDMJVIMWCLR-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CC[C@H](C)[C@@H]1CCCC[NH2+]C1 76591307 167627560 /nfs/dbraw/zinc/62/75/60/167627560.db2.gz YRWXLICAWYEORW-VHSXEESVSA-N 1 0 155.285 2.422 10 0 AEAERO CC[C@H](C)[C@H]1COCC2(CCCC2)[NH2+]1 11950324 167629997 /nfs/dbraw/zinc/62/99/97/167629997.db2.gz GSBIEVBWXKSTGF-WDEREUQCSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@H](C)[C@H](CN)[NH+]1CCCCCC1 37227974 167630439 /nfs/dbraw/zinc/63/04/39/167630439.db2.gz IAWZDMJVIMWCLR-RYUDHWBXSA-N 1 0 198.354 2.236 10 0 AEAERO CC[C@H](C)[C@H]1CC[NH2+][C@@H]1C 51953835 167630812 /nfs/dbraw/zinc/63/08/12/167630812.db2.gz UIALLONGPUUTHG-DJLDLDEBSA-N 1 0 141.258 2.031 10 0 AEAERO CC[C@H](C)[C@H]1CCC[C@@H]1[NH3+] 76575128 167632358 /nfs/dbraw/zinc/63/23/58/167632358.db2.gz BDAYLIZZUIDTIC-YIZRAAEISA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@H](C)[C@](C)([NH3+])c1cccnc1 37761534 167634248 /nfs/dbraw/zinc/63/42/48/167634248.db2.gz ASLRBJTYPCKHFQ-ONGXEEELSA-N 1 0 178.279 2.302 10 0 AEAERO CC[C@H](C)[C@H]1[NH2+]CC[C@@H]1CC 6358781 167634841 /nfs/dbraw/zinc/63/48/41/167634841.db2.gz MVZWERMZDLCOSN-LPEHRKFASA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@H](C)[C@](C)([NH3+])C(C)C 37745731 167635319 /nfs/dbraw/zinc/63/53/19/167635319.db2.gz OBWYASARIIKWSM-DTWKUNHWSA-N 1 0 143.274 2.406 10 0 AEAERO CC[C@H](C)n1cc(C[NH2+]C(C)C)cn1 40932670 167635923 /nfs/dbraw/zinc/63/59/23/167635923.db2.gz HZTAQMIOQDQZOX-JTQLQIEISA-N 1 0 195.310 2.352 10 0 AEAERO CC[C@H](C1CC1)[C@H]1CC[NH2+]C1 19044789 167635949 /nfs/dbraw/zinc/63/59/49/167635949.db2.gz LGQDSKOFVJATHQ-VHSXEESVSA-N 1 0 153.269 2.032 10 0 AEAERO CC[C@H](C)n1ncc(CCC[NH3+])c1C 50182282 167636004 /nfs/dbraw/zinc/63/60/04/167636004.db2.gz BGHXWUVAFYJCIN-VIFPVBQESA-N 1 0 195.310 2.054 10 0 AEAERO CC[C@H](C)n1ncc([C@@H](C)[NH3+])c1C 40930765 167636026 /nfs/dbraw/zinc/63/60/26/167636026.db2.gz LZXIRUZHVVPOGH-JGVFFNPUSA-N 1 0 181.283 2.182 10 0 AEAERO CC[C@H](C)n1nc(C)c([C@@H](C)[NH3+])c1C 54716480 167636953 /nfs/dbraw/zinc/63/69/53/167636953.db2.gz LRUZSMLZRMTYMR-JGVFFNPUSA-N 1 0 195.310 2.491 10 0 AEAERO CC[C@H](C)n1ncc([C@H](C)[NH3+])c1C 40930768 167637345 /nfs/dbraw/zinc/63/73/45/167637345.db2.gz LZXIRUZHVVPOGH-YUMQZZPRSA-N 1 0 181.283 2.182 10 0 AEAERO CC[C@H](CC(C)C)[NH2+]C 22000512 167638523 /nfs/dbraw/zinc/63/85/23/167638523.db2.gz WXRNKMCXPUWCHR-MRVPVSSYSA-N 1 0 129.247 2.031 10 0 in-vivo AEAERO CC[C@H](C[NH3+])CN(C)c1ccccc1 83428469 167641088 /nfs/dbraw/zinc/64/10/88/167641088.db2.gz BCXCYXCJJPHJQI-LLVKDONJSA-N 1 0 192.306 2.108 10 0 AEAERO CC[C@H](CN(CC(C)C)C1CC1)[NH2+]C 50179744 167641090 /nfs/dbraw/zinc/64/10/90/167641090.db2.gz LYVZBYDQZRAETR-LLVKDONJSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](C[NH3+])Cc1ccccc1OC 11975290 167641255 /nfs/dbraw/zinc/64/12/55/167641255.db2.gz YAZLVLDHYXUMTD-JTQLQIEISA-N 1 0 193.290 2.223 10 0 AEAERO CC[C@H](CCC1CCOCC1)[NH2+]C 52173823 167641312 /nfs/dbraw/zinc/64/13/12/167641312.db2.gz QORYBUHJTZYOQT-LLVKDONJSA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@H](CCCOC)[C@H](C)[NH2+]C 38004595 167641314 /nfs/dbraw/zinc/64/13/14/167641314.db2.gz KAIFAZPCXGWYHS-VHSXEESVSA-N 1 0 173.300 2.047 10 0 AEAERO CC[C@H](CC1CCOCC1)[C@@H](C)[NH3+] 52173865 167641368 /nfs/dbraw/zinc/64/13/68/167641368.db2.gz KORSZCDSOHEPDZ-MWLCHTKSSA-N 1 0 185.311 2.177 10 0 AEAERO CC[C@H](CC[NH3+])n1ccc(C2CC2)n1 20313434 167641981 /nfs/dbraw/zinc/64/19/81/167641981.db2.gz BMQKPPOCLCPHDE-SNVBAGLBSA-N 1 0 193.294 2.060 10 0 AEAERO CC[C@H](C[NH3+])CC(C)C 52946825 167642890 /nfs/dbraw/zinc/64/28/90/167642890.db2.gz PZDIOSMERCSXQS-QMMMGPOBSA-N 1 0 129.247 2.017 10 0 AEAERO CC[C@H](CC[NH3+])C(C)C 43559455 167643048 /nfs/dbraw/zinc/64/30/48/167643048.db2.gz DHBWLMQFZWVHSF-MRVPVSSYSA-N 1 0 129.247 2.017 10 0 AEAERO CC[C@H](CCOC(C)C)[C@H](C)[NH3+] 49260378 167643252 /nfs/dbraw/zinc/64/32/52/167643252.db2.gz DXRKHFKUQSYKBE-VHSXEESVSA-N 1 0 173.300 2.175 10 0 AEAERO CC[C@H](C[NH3+])Oc1cccc(C)c1C 43541499 167643831 /nfs/dbraw/zinc/64/38/31/167643831.db2.gz VLFGWRZCWJYMSD-LLVKDONJSA-N 1 0 193.290 2.420 10 0 AEAERO CC[C@H](C[NH3+])OCC1CCCCC1 52150559 167644168 /nfs/dbraw/zinc/64/41/68/167644168.db2.gz CSRCYEIOUGGTPV-LLVKDONJSA-N 1 0 185.311 2.321 10 0 AEAERO CC[C@H](C[NH3+])c1cccc(C)c1 41167808 167644881 /nfs/dbraw/zinc/64/48/81/167644881.db2.gz BBTIFSOCALARDH-SNVBAGLBSA-N 1 0 163.264 2.447 10 0 AEAERO CC[C@H](C[NH2+]C)c1ccc(OC)cc1 41206363 167644994 /nfs/dbraw/zinc/64/49/94/167644994.db2.gz XDJXHRUVVLDNRJ-SNVBAGLBSA-N 1 0 193.290 2.408 10 0 AEAERO CC[C@H](C[NH3+])Oc1cc(C)ccc1C 43541567 167645010 /nfs/dbraw/zinc/64/50/10/167645010.db2.gz OVIQIEHIGRBQQR-LLVKDONJSA-N 1 0 193.290 2.420 10 0 AEAERO CC[C@H](C[NH3+])OC1CCCCC1 43541346 167645186 /nfs/dbraw/zinc/64/51/86/167645186.db2.gz VWVPCEHIEMZYHQ-SECBINFHSA-N 1 0 171.284 2.073 10 0 AEAERO CC[C@H](C[NH3+])c1ccc(C)cc1 19726080 167645291 /nfs/dbraw/zinc/64/52/91/167645291.db2.gz RKTSDVFHMDKBHD-SNVBAGLBSA-N 1 0 163.264 2.447 10 0 AEAERO CC[C@H](CO)[NH2+][C@H]1CC[C@H](C)[C@H](C)C1 82836088 167646195 /nfs/dbraw/zinc/64/61/95/167646195.db2.gz INPZJGCJNADLEW-QCNOEVLYSA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@H](COC(C)(C)CC)[NH2+]C 50181585 167646371 /nfs/dbraw/zinc/64/63/71/167646371.db2.gz IXQPSASPFDVYQJ-SECBINFHSA-N 1 0 173.300 2.190 10 0 AEAERO CC[C@H](COc1ccccc1C)[NH2+]C 50181057 167649131 /nfs/dbraw/zinc/64/91/31/167649131.db2.gz XIXMYSCYVANXEZ-LLVKDONJSA-N 1 0 193.290 2.372 10 0 AEAERO CC[C@H](COc1ccccc1)[NH2+]C 50181077 167649155 /nfs/dbraw/zinc/64/91/55/167649155.db2.gz PFGODBVUMXOWDL-SNVBAGLBSA-N 1 0 179.263 2.063 10 0 AEAERO CC[C@H](CO[C@H](C)CC(C)C)[NH2+]C 50181419 167649238 /nfs/dbraw/zinc/64/92/38/167649238.db2.gz FUNDFTDAKUKNSC-GHMZBOCLSA-N 1 0 187.327 2.436 10 0 AEAERO CC[C@H](Cc1ccco1)[C@H](C)[NH3+] 62102362 167649624 /nfs/dbraw/zinc/64/96/24/167649624.db2.gz MTLSIUWQSHPRLU-DTWKUNHWSA-N 1 0 167.252 2.196 10 0 AEAERO CC[C@H]([NH3+])CCc1cccc(F)c1 37115695 167651555 /nfs/dbraw/zinc/65/15/55/167651555.db2.gz MQNNVAANEXEWPG-NSHDSACASA-N 1 0 181.254 2.496 10 0 AEAERO CC[C@H]([NH3+])CN(C)c1ccc(C)cc1 50009855 167651572 /nfs/dbraw/zinc/65/15/72/167651572.db2.gz YSRDPWWMADWRNO-NSHDSACASA-N 1 0 192.306 2.169 10 0 AEAERO CC[C@H]([NH3+])CC(C)(C)C 44399648 167652887 /nfs/dbraw/zinc/65/28/87/167652887.db2.gz XTANRFGHNYWOHA-ZETCQYMHSA-N 1 0 129.247 2.160 10 0 AEAERO CC[C@H]([NH3+])CC(=O)c1ccc(C)cc1 44400745 167653276 /nfs/dbraw/zinc/65/32/76/167653276.db2.gz XANVWOXQEPDRHQ-NSHDSACASA-N 1 0 191.274 2.305 10 0 AEAERO CC[C@H]([NH3+])CCCC(F)(F)F 44400571 167653440 /nfs/dbraw/zinc/65/34/40/167653440.db2.gz CVLHQGYNBVJTJY-LURJTMIESA-N 1 0 169.190 2.456 10 0 AEAERO CC[C@H]([NH3+])CC=C(C)C 44399821 167653822 /nfs/dbraw/zinc/65/38/22/167653822.db2.gz XZZWBXJTOGMHOG-QMMMGPOBSA-N 1 0 127.231 2.080 10 0 AEAERO CC[C@H]([NH3+])CCc1ccccc1F 36988363 167653843 /nfs/dbraw/zinc/65/38/43/167653843.db2.gz SHGOVXXNYGBPDI-JTQLQIEISA-N 1 0 181.254 2.496 10 0 AEAERO CC[C@H]([NH3+])Cc1ccc(F)cc1F 36778950 167654410 /nfs/dbraw/zinc/65/44/10/167654410.db2.gz RJRJMMDVJJHZGI-VIFPVBQESA-N 1 0 185.217 2.245 10 0 AEAERO CC[C@H]([NH3+])C[C@@H]1Cc2ccccc2O1 44402286 167654697 /nfs/dbraw/zinc/65/46/97/167654697.db2.gz DICPMQWBBRTVFA-QWRGUYRKSA-N 1 0 191.274 2.118 10 0 AEAERO CC[C@H]([NH3+])COc1cccc(C)c1 50181036 167654705 /nfs/dbraw/zinc/65/47/05/167654705.db2.gz MZAOQUNQBZBQPB-JTQLQIEISA-N 1 0 179.263 2.111 10 0 AEAERO CC[C@H]([NH3+])COc1cccc(C)c1C 50180924 167654915 /nfs/dbraw/zinc/65/49/15/167654915.db2.gz BEDHSSWQZHBTQG-NSHDSACASA-N 1 0 193.290 2.420 10 0 AEAERO CC[C@H]([NH3+])Cc1ccc(F)c(C)c1 44401554 167655180 /nfs/dbraw/zinc/65/51/80/167655180.db2.gz WZPHRXSIRUWGMO-JTQLQIEISA-N 1 0 181.254 2.414 10 0 AEAERO CC[C@H]([NH3+])Cc1cccc2cc[nH]c12 44401309 167655257 /nfs/dbraw/zinc/65/52/57/167655257.db2.gz CMSNFJSWUXTWCC-NSHDSACASA-N 1 0 188.274 2.448 10 0 AEAERO CC[C@H]([NH3+])Cc1ccc(Cl)o1 44404552 167655327 /nfs/dbraw/zinc/65/53/27/167655327.db2.gz WZLGBMOAZMRPSC-LURJTMIESA-N 1 0 173.643 2.213 10 0 AEAERO CC[C@H]([NH3+])Cc1nc(C)c(C)s1 54184391 167655371 /nfs/dbraw/zinc/65/53/71/167655371.db2.gz LQFMSLUGQXELHT-QMMMGPOBSA-N 1 0 184.308 2.040 10 0 AEAERO CC[C@H]([NH3+])Cc1cccnc1Cl 44401351 167655462 /nfs/dbraw/zinc/65/54/62/167655462.db2.gz RSQNCBAVPXERIE-QMMMGPOBSA-N 1 0 184.670 2.015 10 0 AEAERO CC[C@H]([NH3+])Cc1c(F)cccc1F 36778896 167655536 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10 0 AEAERO C[C@@H](C[NH3+])c1sccc1Cl 83272459 168346376 /nfs/dbraw/zinc/34/63/76/168346376.db2.gz QOTSSSSMSZNKMU-YFKPBYRVSA-N 1 0 175.684 2.464 10 0 AEAERO C[C@@H](C[NH3+])c1ccc2scnc2c1 82588620 168346378 /nfs/dbraw/zinc/34/63/78/168346378.db2.gz NORZBYLVWQJGNA-ZETCQYMHSA-N 1 0 192.287 2.359 10 0 AEAERO C[C@@H](C[NH3+])c1ccsc1Cl 83272455 168346398 /nfs/dbraw/zinc/34/63/98/168346398.db2.gz KVEHUSVMIRCJMX-YFKPBYRVSA-N 1 0 175.684 2.464 10 0 AEAERO C[C@@H](C[NH3+])c1csc(C2CC2)n1 83275086 168346409 /nfs/dbraw/zinc/34/64/09/168346409.db2.gz BYSXECXQCXKLQB-LURJTMIESA-N 1 0 182.292 2.083 10 0 AEAERO C[C@@H](C[NH3+])c1ccc2ncccc2c1 41663974 168346428 /nfs/dbraw/zinc/34/64/28/168346428.db2.gz OSGWIMAXISGTSD-VIFPVBQESA-N 1 0 186.258 2.297 10 0 AEAERO C[C@@H](C[NH3+])c1ccc2c(c1)CCCO2 82588491 168346549 /nfs/dbraw/zinc/34/65/49/168346549.db2.gz JJKKAVCBKWORSR-VIFPVBQESA-N 1 0 191.274 2.074 10 0 AEAERO C[C@@H](CN1CCCC1)[NH2+]C1CCCC1 42371969 168346582 /nfs/dbraw/zinc/34/65/82/168346582.db2.gz KZXVDQJTNXVZLC-NSHDSACASA-N 1 0 196.338 2.003 10 0 AEAERO C[C@@H](C[NH3+])c1csc(Cl)c1 83272457 168346620 /nfs/dbraw/zinc/34/66/20/168346620.db2.gz LNOYOUNXJSNIRB-YFKPBYRVSA-N 1 0 175.684 2.464 10 0 AEAERO C[C@@H](C[NH3+])c1nc2cc(F)ccc2o1 82878994 168346779 /nfs/dbraw/zinc/34/67/79/168346779.db2.gz RBXPUDPHWHNRSD-LURJTMIESA-N 1 0 194.209 2.029 10 0 AEAERO C[C@@H](C[NH3+])c1cnc2ccccc2c1 41663963 168346917 /nfs/dbraw/zinc/34/69/17/168346917.db2.gz AENKJQQRSCTCQK-VIFPVBQESA-N 1 0 186.258 2.297 10 0 AEAERO C[C@@H](C[NH3+])c1cccc2cnccc12 82635917 168346960 /nfs/dbraw/zinc/34/69/60/168346960.db2.gz NATPBWKAHZAGEG-VIFPVBQESA-N 1 0 186.258 2.297 10 0 AEAERO C[C@@H](C[NH3+])c1nc2c(s1)CCCC2 11883541 168347022 /nfs/dbraw/zinc/34/70/22/168347022.db2.gz DNIGRADQABFDFL-ZETCQYMHSA-N 1 0 196.319 2.084 10 0 AEAERO C[C@@H](CN1CCCC1)[NH2+]CC(C)(C)C 42598433 168347059 /nfs/dbraw/zinc/34/70/59/168347059.db2.gz LTEAPASPJFZVMA-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO C[C@@H](C[NH3+])c1cn(C)c2ccccc12 71500293 168347311 /nfs/dbraw/zinc/34/73/11/168347311.db2.gz CMRCFAGQGNHZPT-VIFPVBQESA-N 1 0 188.274 2.241 10 0 AEAERO C[C@@H](C[NH3+])c1coc2ccccc12 82216530 168347485 /nfs/dbraw/zinc/34/74/85/168347485.db2.gz NNHAKXWUIWBNMY-QMMMGPOBSA-N 1 0 175.231 2.495 10 0 AEAERO C[C@@H](C[NH3+])c1csc(C2CCC2)n1 83281491 168347532 /nfs/dbraw/zinc/34/75/32/168347532.db2.gz SBFDHACFEJTDQL-ZETCQYMHSA-N 1 0 196.319 2.473 10 0 AEAERO C[C@@H](C[NH3+])n1ccc2ccccc21 58014612 168347590 /nfs/dbraw/zinc/34/75/90/168347590.db2.gz MWTADXCYMKFARQ-VIFPVBQESA-N 1 0 174.247 2.161 10 0 AEAERO C[C@@H](C[NH2+]C(C)(C)C)N1CC[C@@H](C)C1 52484314 168347780 /nfs/dbraw/zinc/34/77/80/168347780.db2.gz WYGRLIDKLWIGRI-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCCCC1 52421155 168348442 /nfs/dbraw/zinc/34/84/42/168348442.db2.gz WGIGESNIXUFCSS-NSHDSACASA-N 1 0 198.354 2.249 10 0 AEAERO C[C@@H](C[NH2+]C1CC1)Cc1cccnc1 77275597 168348445 /nfs/dbraw/zinc/34/84/45/168348445.db2.gz SDSPPKOXAUVVQF-SNVBAGLBSA-N 1 0 190.290 2.012 10 0 AEAERO C[C@@H](C[NH2+]C1CCCC1)N1CCCC1 47889536 168348492 /nfs/dbraw/zinc/34/84/92/168348492.db2.gz UUPJABCKZVVVEW-NSHDSACASA-N 1 0 196.338 2.003 10 0 AEAERO C[C@@H](CNc1ccccc1)[NH+](C)C 5141542 168348598 /nfs/dbraw/zinc/34/85/98/168348598.db2.gz DMQPDRCPDYVNQX-JTQLQIEISA-N 1 0 178.279 2.049 10 0 AEAERO C[C@@H](C[NH2+]C1CCC1)N1CCCCC1 44481845 168348676 /nfs/dbraw/zinc/34/86/76/168348676.db2.gz NVTFCKICQUMKKQ-NSHDSACASA-N 1 0 196.338 2.003 10 0 AEAERO C[C@@H](C[NH2+]C1CC1)N1CCCCCC1 52381770 168348789 /nfs/dbraw/zinc/34/87/89/168348789.db2.gz MKWOMUXTSZUAGZ-NSHDSACASA-N 1 0 196.338 2.003 10 0 AEAERO C[C@@H](C[NH2+]C(C)(C)C)OCC1CC1 52642511 168349385 /nfs/dbraw/zinc/34/93/85/168349385.db2.gz VLIYELVGUCWQHO-VIFPVBQESA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@H](CO)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 35602587 168350985 /nfs/dbraw/zinc/35/09/85/168350985.db2.gz SSQNAQHRWHEJPL-GARJFASQSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@@H](CO)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 35602584 168352426 /nfs/dbraw/zinc/35/24/26/168352426.db2.gz SSQNAQHRWHEJPL-DCAQKATOSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@@H](Cc1cc(F)ccc1F)[C@@H](C)[NH3+] 43458982 168352579 /nfs/dbraw/zinc/35/25/79/168352579.db2.gz IREALTWLZQRQSB-JGVFFNPUSA-N 1 0 199.244 2.491 10 0 AEAERO C[C@@H](Cc1ccc(F)cc1)[C@@H](C)[NH3+] 37947382 168352867 /nfs/dbraw/zinc/35/28/67/168352867.db2.gz AXPYGFLHSMMKQK-DTWKUNHWSA-N 1 0 181.254 2.352 10 0 AEAERO C[C@@H](CSC(C)(C)C)C(N)=[NH2+] 36681504 168352895 /nfs/dbraw/zinc/35/28/95/168352895.db2.gz XHKLJCBWAJYMNN-LURJTMIESA-N 1 0 174.313 2.090 10 0 AEAERO C[C@@H](Cc1ccco1)N1CCCC1=[NH2+] 42590538 168354096 /nfs/dbraw/zinc/35/40/96/168354096.db2.gz WRPIDRGELIRWDO-VIFPVBQESA-N 1 0 192.262 2.284 10 0 AEAERO C[C@@H](Cc1ccccc1F)[C@@H](C)[NH3+] 37947454 168354141 /nfs/dbraw/zinc/35/41/41/168354141.db2.gz DQYXBNHQGYVAMK-DTWKUNHWSA-N 1 0 181.254 2.352 10 0 AEAERO C[C@@H](Cc1ccccc1)[C@H]1CC[NH2+]C1 82882192 168354354 /nfs/dbraw/zinc/35/43/54/168354354.db2.gz LQPDWYBRDXPJBH-AAEUAGOBSA-N 1 0 189.302 2.475 10 0 AEAERO C[C@@H](Cc1cccs1)[C@@H](C)[NH3+] 37947486 168354359 /nfs/dbraw/zinc/35/43/59/168354359.db2.gz XJLBPVCPBHMKKE-JGVFFNPUSA-N 1 0 169.293 2.274 10 0 AEAERO C[C@@H](Cc1cccc(F)c1)[C@@H](C)[NH3+] 37947374 168354570 /nfs/dbraw/zinc/35/45/70/168354570.db2.gz WPECCOMSKUPTPT-DTWKUNHWSA-N 1 0 181.254 2.352 10 0 AEAERO C[C@@H](Cc1ccccc1)[C@@H]1CC[NH2+]C1 82882187 168354761 /nfs/dbraw/zinc/35/47/61/168354761.db2.gz LQPDWYBRDXPJBH-WCQYABFASA-N 1 0 189.302 2.475 10 0 AEAERO C[C@@H](Cc1ccsc1)[C@@H](C)[NH3+] 37947354 168354814 /nfs/dbraw/zinc/35/48/14/168354814.db2.gz QFDMAZDGEHJGGM-JGVFFNPUSA-N 1 0 169.293 2.274 10 0 AEAERO C[C@@H](Cc1cccc(F)c1F)[C@@H](C)[NH3+] 37947358 168355009 /nfs/dbraw/zinc/35/50/09/168355009.db2.gz FMCYMMXXZZKXAL-JGVFFNPUSA-N 1 0 199.244 2.491 10 0 AEAERO C[C@@H]([N@H+](C)CC(C)(C)O)C(C)(C)C 42778282 168355575 /nfs/dbraw/zinc/35/55/75/168355575.db2.gz HFMXMLPGCUCIRM-SECBINFHSA-N 1 0 187.327 2.124 10 0 AEAERO C[C@@H]([N@H+](C)[C@@H]1CCCC1=O)C(C)(C)C 42774155 168355592 /nfs/dbraw/zinc/35/55/92/168355592.db2.gz DKVJHDHOWCGZJM-NXEZZACHSA-N 1 0 197.322 2.474 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1cccc(F)c1 83592839 168355676 /nfs/dbraw/zinc/35/56/76/168355676.db2.gz ZQRNCKZGJMEAAP-HQZHTGGTSA-N 1 0 165.211 2.186 10 0 AEAERO C[C@@H]([N@H+](C)C(C)(C)CN)C(C)(C)C 42742120 168355715 /nfs/dbraw/zinc/35/57/15/168355715.db2.gz ZLFXWJUNAKBNFR-SECBINFHSA-N 1 0 186.343 2.090 10 0 AEAERO C[C@@H](N(C)CC[NH2+]C1CC1)C(C)(C)C 42779662 168355831 /nfs/dbraw/zinc/35/58/31/168355831.db2.gz FRRJHYNZDSDXNF-SNVBAGLBSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H]([N@H+](C)C1CCCC1)C(C)(C)O 307170414 168355916 /nfs/dbraw/zinc/35/59/16/168355916.db2.gz AWVDECJMCPZKGQ-SECBINFHSA-N 1 0 185.311 2.020 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1ccc(F)cc1 83592228 168356060 /nfs/dbraw/zinc/35/60/60/168356060.db2.gz BDKJMQSGRFYGAM-UFUPEUMYSA-N 1 0 165.211 2.186 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1cc(F)cc(F)c1 83591676 168356187 /nfs/dbraw/zinc/35/61/87/168356187.db2.gz CWYUOLZIIRHVJS-TYWZFMJISA-N 1 0 183.201 2.325 10 0 AEAERO C[C@@H]([N@H+](C)[C@@H]1CCC[C@@H]1N)C(C)(C)C 42747448 168356382 /nfs/dbraw/zinc/35/63/82/168356382.db2.gz SEXRNKGMQCSJCN-OUAUKWLOSA-N 1 0 198.354 2.233 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1cc(F)ccc1F 83592847 168356406 /nfs/dbraw/zinc/35/64/06/168356406.db2.gz FMTUWRSDABHELN-TYWZFMJISA-N 1 0 183.201 2.325 10 0 AEAERO C[C@@H](N(C)C(=[NH2+])NC1CC1)C(C)(C)C 52039842 168356583 /nfs/dbraw/zinc/35/65/83/168356583.db2.gz ABAXVYDKTQAHPG-MRVPVSSYSA-N 1 0 197.326 2.040 10 0 AEAERO C[C@@H]([N@H+](C)[C@@H](CN)C1CC1)C(C)(C)C 42741645 168356616 /nfs/dbraw/zinc/35/66/16/168356616.db2.gz MGLQOFOSAJEIRZ-KOLCDFICSA-N 1 0 198.354 2.090 10 0 AEAERO C[C@@H](N(C)C[C@@H]1CCC[NH2+]1)C(C)(C)C 42781602 168356701 /nfs/dbraw/zinc/35/67/01/168356701.db2.gz GXYGCVRSCUNRGA-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H](N(C)[C@@H]1CCC[NH2+]C1)C(C)(C)C 42768034 168356723 /nfs/dbraw/zinc/35/67/23/168356723.db2.gz GHKCERSJZJTSKM-GHMZBOCLSA-N 1 0 198.354 2.105 10 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DRBZGBVRMCTWIB-MRVPVSSYSA-N 1 0 137.226 2.000 10 0 AEAERO C[C@@H]([NH3+])C1C2CC3CC(C2)CC1C3 38523336 168360398 /nfs/dbraw/zinc/36/03/98/168360398.db2.gz PICSDNCRMCZSLV-MZVDVCFISA-N 1 0 179.307 2.406 10 0 AEAERO C[C@@H]([NH3+])C1(Cc2ccccc2F)CC1 71506389 168360409 /nfs/dbraw/zinc/36/04/09/168360409.db2.gz AWYOWNXKRCALJD-SECBINFHSA-N 1 0 193.265 2.496 10 0 AEAERO C[C@@H]([NH3+])C(C)(C)c1ccc(F)cc1 37024143 168360518 /nfs/dbraw/zinc/36/05/18/168360518.db2.gz UZRBNCULZJMGLZ-MRVPVSSYSA-N 1 0 181.254 2.451 10 0 AEAERO C[C@@H]([NH3+])C/C=C/c1ccccc1O 44460874 168360709 /nfs/dbraw/zinc/36/07/09/168360709.db2.gz CVNSSSZGDLDLME-ILFKPUCNSA-N 1 0 177.247 2.143 10 0 AEAERO C[C@@H]([NH3+])C1(Cc2ccccc2)CC1 71496913 168360765 /nfs/dbraw/zinc/36/07/65/168360765.db2.gz IGLASYLPGAKXKG-SNVBAGLBSA-N 1 0 175.275 2.357 10 0 AEAERO C[C@@H]([NH3+])C1=CCCCCC1 50328147 168360916 /nfs/dbraw/zinc/36/09/16/168360916.db2.gz DVQCCBGXKXQBDE-MRVPVSSYSA-N 1 0 139.242 2.224 10 0 AEAERO C[C@@H]([NH3+])CC(Cl)(Cl)Cl 44461972 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CBZALDASVOUJAF-UHFFFAOYSA-N 1 0 199.294 2.466 10 0 AEAERO FC[C@@H]1CCC[N@@H+]1CC1CCC1 306384522 169078632 /nfs/dbraw/zinc/07/86/32/169078632.db2.gz WETQFLBSERBUGO-JTQLQIEISA-N 1 0 171.259 2.220 10 0 AEAERO FCC1C[NH+](Cc2cccs2)C1 335248845 169078903 /nfs/dbraw/zinc/07/89/03/169078903.db2.gz QPNRZUPIUXPRCE-UHFFFAOYSA-N 1 0 185.267 2.149 10 0 AEAERO FCC[C@H]1C[NH2+]Cc2ccsc21 91305505 169079179 /nfs/dbraw/zinc/07/91/79/169079179.db2.gz LFNAYRYDGRLADK-ZETCQYMHSA-N 1 0 185.267 2.295 10 0 AEAERO FCC1C[NH+](CC2CCCCC2)C1 335247656 169079184 /nfs/dbraw/zinc/07/91/84/169079184.db2.gz IAAFYIDGWILCNK-UHFFFAOYSA-N 1 0 185.286 2.468 10 0 AEAERO FC[C@H]1CCC[N@@H+]1C1CCCC1 306631346 169079234 /nfs/dbraw/zinc/07/92/34/169079234.db2.gz NHPFAZJFZGXLON-SNVBAGLBSA-N 1 0 171.259 2.363 10 0 AEAERO FCCC[N@@H+]1CCCC12CCC2 306585930 169079291 /nfs/dbraw/zinc/07/92/91/169079291.db2.gz KOARKHHFBBJGRF-UHFFFAOYSA-N 1 0 171.259 2.365 10 0 AEAERO FC[C@H]1CC[NH2+]Cc2ccsc21 91305500 169079762 /nfs/dbraw/zinc/07/97/62/169079762.db2.gz JFWVHPVKVJTRGE-SSDOTTSWSA-N 1 0 185.267 2.295 10 0 AEAERO F[C@H]1C[NH2+]CC[C@H]1Cc1ccccc1 96941613 169080337 /nfs/dbraw/zinc/08/03/37/169080337.db2.gz XIFVUJPPJSPIJH-RYUDHWBXSA-N 1 0 193.265 2.177 10 0 AEAERO F[C@H]1CC[NH2+]Cc2ccsc21 91305640 169080733 /nfs/dbraw/zinc/08/07/33/169080733.db2.gz MLJFSJFTDDGILB-ZETCQYMHSA-N 1 0 171.240 2.252 10 0 AEAERO Fc1cc(F)cc(C2=CC[NH2+]CC2)c1 19835045 169081458 /nfs/dbraw/zinc/08/14/58/169081458.db2.gz IXCSRFAOQFOFDS-UHFFFAOYSA-N 1 0 195.212 2.342 10 0 AEAERO Fc1cc(F)cc(CC[NH2+]C2CC2)c1 55231333 169081465 /nfs/dbraw/zinc/08/14/65/169081465.db2.gz GWISIFGUMQLIDK-UHFFFAOYSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1ccc(/C=C2\CC[NH2+]C2)cc1 40442952 169082150 /nfs/dbraw/zinc/08/21/50/169082150.db2.gz QYHDJNMXBPWUMI-JXMROGBWSA-N 1 0 177.222 2.202 10 0 AEAERO Fc1cc(F)cc(C[C@H]2CCC[NH2+]2)c1 41207486 169082154 /nfs/dbraw/zinc/08/21/54/169082154.db2.gz GTRSEWUTMMNRKN-LLVKDONJSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1cc(F)cc(C[C@@H]2CCC[NH2+]2)c1 41207485 169082201 /nfs/dbraw/zinc/08/22/01/169082201.db2.gz GTRSEWUTMMNRKN-NSHDSACASA-N 1 0 197.228 2.259 10 0 AEAERO Fc1ccc(F)c(C2CC[NH2+]CC2)c1 19835081 169082620 /nfs/dbraw/zinc/08/26/20/169082620.db2.gz YIVTVXVTBRFQQB-UHFFFAOYSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1ccc(C[NH2+][C@H]2CC23CC3)cc1 335284118 169082823 /nfs/dbraw/zinc/08/28/23/169082823.db2.gz CIZUPIWUDKJAQL-NSHDSACASA-N 1 0 191.249 2.468 10 0 AEAERO Fc1ccc(C[C@H]2CC[NH2+]C2)c(F)c1 70627711 169082882 /nfs/dbraw/zinc/08/28/82/169082882.db2.gz ZRWZJYCTXIKEES-MRVPVSSYSA-N 1 0 197.228 2.117 10 0 AEAERO Fc1ccc(F)c(CC[NH2+]C2CC2)c1 53302536 169082947 /nfs/dbraw/zinc/08/29/47/169082947.db2.gz ZGXUCOOYMSFRPK-UHFFFAOYSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1ccc(C[NH2+][C@@H]2CC23CC3)cc1 335284117 169083002 /nfs/dbraw/zinc/08/30/02/169083002.db2.gz CIZUPIWUDKJAQL-LLVKDONJSA-N 1 0 191.249 2.468 10 0 AEAERO Fc1ccc(Cl)cc1CC1C[NH2+]C1 83265024 169083125 /nfs/dbraw/zinc/08/31/25/169083125.db2.gz HZIIWBCCGPMCIZ-UHFFFAOYSA-N 1 0 199.656 2.241 10 0 AEAERO Fc1ccc(Cl)cc1C1C[NH2+]C1 83265022 169083155 /nfs/dbraw/zinc/08/31/55/169083155.db2.gz NDEBUZRZMQWSPB-UHFFFAOYSA-N 1 0 185.629 2.166 10 0 AEAERO Fc1ccc(C[C@@H]2CC[NH2+]C2)c(F)c1 70627710 169083370 /nfs/dbraw/zinc/08/33/70/169083370.db2.gz ZRWZJYCTXIKEES-QMMMGPOBSA-N 1 0 197.228 2.117 10 0 AEAERO Fc1ccc(C[C@H]2CCC[NH2+]2)cc1F 41207481 169083485 /nfs/dbraw/zinc/08/34/85/169083485.db2.gz GAFPCOQUIBAOBL-SECBINFHSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1ccc(C[C@@H]2CCC[NH2+]2)cc1F 41207480 169083564 /nfs/dbraw/zinc/08/35/64/169083564.db2.gz GAFPCOQUIBAOBL-VIFPVBQESA-N 1 0 197.228 2.259 10 0 AEAERO Fc1ccc(F)c(C2=CC[NH2+]CC2)c1 19811467 169083799 /nfs/dbraw/zinc/08/37/99/169083799.db2.gz ZJOHFMJYIUZXGC-UHFFFAOYSA-N 1 0 195.212 2.342 10 0 AEAERO Fc1ccc2c(c1)CC[NH2+][C@@H]2C1CC1 83729553 169083954 /nfs/dbraw/zinc/08/39/54/169083954.db2.gz PPFYDVNBDDDIBU-GFCCVEGCSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1ccc([C@H]2CCC[NH2+]C2)c(F)c1 38539143 169084016 /nfs/dbraw/zinc/08/40/16/169084016.db2.gz AYNGMIKWZWTBGI-QMMMGPOBSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1ccc2c(c1)CC[NH2+][C@H]2C1CC1 83729555 169084202 /nfs/dbraw/zinc/08/42/02/169084202.db2.gz PPFYDVNBDDDIBU-LBPRGKRZSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1ccc2c(c1)[C@@H](C1CC1)[NH2+]CC2 52095632 169084224 /nfs/dbraw/zinc/08/42/24/169084224.db2.gz HDOSVFHRFTWMOT-GFCCVEGCSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1ccc2c(c1)[C@H](C1CC1)[NH2+]CC2 52095631 169084294 /nfs/dbraw/zinc/08/42/94/169084294.db2.gz HDOSVFHRFTWMOT-LBPRGKRZSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1ccc([C@H]2CC[NH2+]C2)c(F)c1 50267049 169084303 /nfs/dbraw/zinc/08/43/03/169084303.db2.gz QSBSGFHTQBDWJV-ZETCQYMHSA-N 1 0 183.201 2.042 10 0 AEAERO Fc1ccc(SCC2C[NH2+]C2)cc1 169726341 169084310 /nfs/dbraw/zinc/08/43/10/169084310.db2.gz SGEPBLXBYFRSJQ-UHFFFAOYSA-N 1 0 197.278 2.137 10 0 AEAERO Fc1ccc([C@@H]2CCC[NH2+]C2)c(F)c1 38539141 169084444 /nfs/dbraw/zinc/08/44/44/169084444.db2.gz AYNGMIKWZWTBGI-MRVPVSSYSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1ccc([C@@H]2CC[NH2+]C2)c(F)c1 50267048 169084719 /nfs/dbraw/zinc/08/47/19/169084719.db2.gz QSBSGFHTQBDWJV-SSDOTTSWSA-N 1 0 183.201 2.042 10 0 AEAERO Fc1ccc2c(c1)CC[C@]21CC[NH2+]C1 95742310 169084974 /nfs/dbraw/zinc/08/49/74/169084974.db2.gz VQBKERXGUPDKFL-GFCCVEGCSA-N 1 0 191.249 2.003 10 0 AEAERO Fc1ccc2c(c1)CC[C@@]21CC[NH2+]C1 95742308 169085122 /nfs/dbraw/zinc/08/51/22/169085122.db2.gz VQBKERXGUPDKFL-LBPRGKRZSA-N 1 0 191.249 2.003 10 0 AEAERO Fc1cccc(F)c1[C@@H]1CCC[NH2+]C1 38539186 169085522 /nfs/dbraw/zinc/08/55/22/169085522.db2.gz HGNWRAYNIXCVNZ-MRVPVSSYSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1cccc(F)c1C[C@H]1CCC[NH2+]1 82910008 169085562 /nfs/dbraw/zinc/08/55/62/169085562.db2.gz RGOQMLLUPYKIGA-MRVPVSSYSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1cccc(/C=C2\CC[NH2+]C2)c1 40442955 169085588 /nfs/dbraw/zinc/08/55/88/169085588.db2.gz HNZGRLGVWMUQKW-UXBLZVDNSA-N 1 0 177.222 2.202 10 0 AEAERO Fc1cccc([C@@H]2CCC[NH2+]C2)c1F 38539096 169085834 /nfs/dbraw/zinc/08/58/34/169085834.db2.gz JYGMKVCYGBCLEO-MRVPVSSYSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1cccc(NC2=NCCS2)c1 129566 169086037 /nfs/dbraw/zinc/08/60/37/169086037.db2.gz GSJMBRRRNXLOAD-UHFFFAOYSA-N 1 0 196.250 2.340 10 0 AEAERO Fc1cccc(C[NH2+][C@@H]2CC23CC3)c1 335285441 169086173 /nfs/dbraw/zinc/08/61/73/169086173.db2.gz WODCAPKOEFIVBZ-LLVKDONJSA-N 1 0 191.249 2.468 10 0 AEAERO Fc1cccc(F)c1[C@H]1CCC[NH2+]C1 38539188 169086204 /nfs/dbraw/zinc/08/62/04/169086204.db2.gz HGNWRAYNIXCVNZ-QMMMGPOBSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1cccc(CC[NH2+]C2CC2)c1F 53302486 169086233 /nfs/dbraw/zinc/08/62/33/169086233.db2.gz ISNLSWQFNKVCAT-UHFFFAOYSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1cccc(F)c1C[C@@H]1CCC[NH2+]1 82910007 169086573 /nfs/dbraw/zinc/08/65/73/169086573.db2.gz RGOQMLLUPYKIGA-QMMMGPOBSA-N 1 0 197.228 2.259 10 0 AEAERO Fc1cccc(CC[NH+]2CCCC2)c1 84758063 169086575 /nfs/dbraw/zinc/08/65/75/169086575.db2.gz PXBKRGXXBYALIH-UHFFFAOYSA-N 1 0 193.265 2.464 10 0 AEAERO Fc1cccc(Cl)c1C1C[NH2+]C1 71499716 169086587 /nfs/dbraw/zinc/08/65/87/169086587.db2.gz FLGRXGYOIDJJSU-UHFFFAOYSA-N 1 0 185.629 2.166 10 0 AEAERO Fc1cccc(C[NH2+][C@H]2CC23CC3)c1 335285442 169086781 /nfs/dbraw/zinc/08/67/81/169086781.db2.gz WODCAPKOEFIVBZ-NSHDSACASA-N 1 0 191.249 2.468 10 0 AEAERO Fc1cccc2c1CC[NH2+][C@H]2C1CC1 52095638 169087304 /nfs/dbraw/zinc/08/73/04/169087304.db2.gz QUAHSYPESFUISQ-LBPRGKRZSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1cccc2c1C[NH2+]CCS2 18485 169087370 /nfs/dbraw/zinc/08/73/70/169087370.db2.gz YAZUSGHZMAPMQE-UHFFFAOYSA-N 1 0 183.251 2.021 10 0 AEAERO Fc1ccccc1C[NH2+][C@@H]1CC12CC2 335284967 169087401 /nfs/dbraw/zinc/08/74/01/169087401.db2.gz PIFDGAMGARBCOF-LLVKDONJSA-N 1 0 191.249 2.468 10 0 AEAERO Fc1cccc2c1CC[NH2+][C@@H]2C1CC1 52095637 169087520 /nfs/dbraw/zinc/08/75/20/169087520.db2.gz QUAHSYPESFUISQ-GFCCVEGCSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1cccc2c1[C@@H](C1CC1)[NH2+]CC2 83729551 169087546 /nfs/dbraw/zinc/08/75/46/169087546.db2.gz WWJYXKRQIGAAGZ-GFCCVEGCSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1ccccc1CC[NH2+]C1CC1 36947973 169087557 /nfs/dbraw/zinc/08/75/57/169087557.db2.gz LFYUNEAUQUXGNS-UHFFFAOYSA-N 1 0 179.238 2.120 10 0 AEAERO Fc1cccc([C@H]2CCC[NH2+]C2)c1F 38539098 169087584 /nfs/dbraw/zinc/08/75/84/169087584.db2.gz JYGMKVCYGBCLEO-QMMMGPOBSA-N 1 0 197.228 2.432 10 0 AEAERO Fc1ccccc1/C=C1\CC[NH2+]C1 40442954 169087664 /nfs/dbraw/zinc/08/76/64/169087664.db2.gz VUSOLMMVCDLZKM-VQHVLOKHSA-N 1 0 177.222 2.202 10 0 AEAERO Fc1cccc2c1OC[C@H]2[NH2+]C1CC1 35652601 169087798 /nfs/dbraw/zinc/08/77/98/169087798.db2.gz PJLAOZJLRDDHHP-SNVBAGLBSA-N 1 0 193.221 2.011 10 0 AEAERO Fc1cccc2c1[C@H](C1CC1)[NH2+]CC2 83729550 169087866 /nfs/dbraw/zinc/08/78/66/169087866.db2.gz WWJYXKRQIGAAGZ-LBPRGKRZSA-N 1 0 191.249 2.423 10 0 AEAERO Fc1cccc2c1OC[C@@H]2[NH2+]C1CC1 35652600 169088023 /nfs/dbraw/zinc/08/80/23/169088023.db2.gz PJLAOZJLRDDHHP-JTQLQIEISA-N 1 0 193.221 2.011 10 0 AEAERO Fc1cccc([C@@H]2[NH2+]C[C@H]3C[C@H]32)c1 82869717 169088086 /nfs/dbraw/zinc/08/80/86/169088086.db2.gz LPUIVIUWCMSFMX-IEBDPFPHSA-N 1 0 177.222 2.106 10 0 AEAERO Fc1ccccc1C[NH2+][C@H]1CC12CC2 335284968 169088220 /nfs/dbraw/zinc/08/82/20/169088220.db2.gz PIFDGAMGARBCOF-NSHDSACASA-N 1 0 191.249 2.468 10 0 AEAERO Fc1ccccc1CNC1=[NH+]CCC1 12531009 169088456 /nfs/dbraw/zinc/08/84/56/169088456.db2.gz FOMAQNCBXPDPMH-UHFFFAOYSA-N 1 0 192.237 2.108 10 0 AEAERO Fc1cccnc1[C@H]1CCCC[NH2+]1 75869164 169088761 /nfs/dbraw/zinc/08/87/61/169088761.db2.gz GLVSSVLNEDVVAX-SECBINFHSA-N 1 0 180.226 2.035 10 0 AEAERO Fc1cnccc1C[NH+]1CCCCC1 334768093 169089105 /nfs/dbraw/zinc/08/91/05/169089105.db2.gz DKRSPRVKEMEKEU-UHFFFAOYSA-N 1 0 194.253 2.207 10 0 AEAERO Fc1ccccc1[C@H]1C[C@@H]2C[NH2+][C@H]1C2 40433799 169089109 /nfs/dbraw/zinc/08/91/09/169089109.db2.gz QRSHWPNRZPXKCU-XRNSZHNASA-N 1 0 191.249 2.291 10 0 AEAERO Fc1cccnc1[C@H]1CCCCC[NH2+]1 75868704 169089144 /nfs/dbraw/zinc/08/91/44/169089144.db2.gz IKKKJRURUHMUER-SNVBAGLBSA-N 1 0 194.253 2.425 10 0 AEAERO Fc1cncc(C[NH+]2CCCCC2)c1 306533359 169089167 /nfs/dbraw/zinc/08/91/67/169089167.db2.gz CVKLUDANRUJRSO-UHFFFAOYSA-N 1 0 194.253 2.207 10 0 AEAERO Fc1ccccc1[C@H]1C[NH2+]CCS1 41209117 169089238 /nfs/dbraw/zinc/08/92/38/169089238.db2.gz QIZXFSNVHAPHKE-SNVBAGLBSA-N 1 0 197.278 2.203 10 0 AEAERO Fc1cncc([C@H]2CCCC[NH2+]2)c1 34773449 169089248 /nfs/dbraw/zinc/08/92/48/169089248.db2.gz OOAWOFFXGYIRGI-SNVBAGLBSA-N 1 0 180.226 2.035 10 0 AEAERO Fc1ccccc1[C@@H]1C[NH2+]CCS1 41209115 169089370 /nfs/dbraw/zinc/08/93/70/169089370.db2.gz QIZXFSNVHAPHKE-JTQLQIEISA-N 1 0 197.278 2.203 10 0 AEAERO Fc1cccnc1[C@@H]1CCCC[NH2+]1 75869163 169089476 /nfs/dbraw/zinc/08/94/76/169089476.db2.gz GLVSSVLNEDVVAX-VIFPVBQESA-N 1 0 180.226 2.035 10 0 AEAERO Fc1cccnc1[C@@H]1CCCCC[NH2+]1 75868703 169089597 /nfs/dbraw/zinc/08/95/97/169089597.db2.gz IKKKJRURUHMUER-JTQLQIEISA-N 1 0 194.253 2.425 10 0 AEAERO Fc1ccccc1[C@@H]1C[C@@H]2C[NH2+][C@H]1C2 40433798 169089656 /nfs/dbraw/zinc/08/96/56/169089656.db2.gz QRSHWPNRZPXKCU-PEXQALLHSA-N 1 0 191.249 2.291 10 0 AEAERO Fc1cncc([C@@H]2CCCC[NH2+]2)c1 34773447 169089919 /nfs/dbraw/zinc/08/99/19/169089919.db2.gz OOAWOFFXGYIRGI-JTQLQIEISA-N 1 0 180.226 2.035 10 0 AEAERO Fc1ncccc1[C@@H]1CCCCC[NH2+]1 3735178 169090066 /nfs/dbraw/zinc/09/00/66/169090066.db2.gz GULALYKZBDDKOK-JTQLQIEISA-N 1 0 194.253 2.425 10 0 AEAERO Fc1ncccc1[C@@H]1CCCC[NH2+]1 3734820 169090144 /nfs/dbraw/zinc/09/01/44/169090144.db2.gz SHAGEWYKCJZJIN-VIFPVBQESA-N 1 0 180.226 2.035 10 0 AEAERO Fc1ncccc1[C@H]1CCCC[NH2+]1 3734819 169090305 /nfs/dbraw/zinc/09/03/05/169090305.db2.gz SHAGEWYKCJZJIN-SECBINFHSA-N 1 0 180.226 2.035 10 0 AEAERO Fc1ncccc1[C@H]1CCCCC[NH2+]1 3735177 169090434 /nfs/dbraw/zinc/09/04/34/169090434.db2.gz GULALYKZBDDKOK-SNVBAGLBSA-N 1 0 194.253 2.425 10 0 AEAERO Cc1nc(C(C)C)c(CC[NH3+])s1 36291406 168931475 /nfs/dbraw/zinc/93/14/75/168931475.db2.gz JMGQVVCMTORPNN-UHFFFAOYSA-N 1 0 184.308 2.076 10 0 AEAERO Cc1nc(C(C)(C)C)c(CC[NH3+])s1 36291402 168932010 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[NH3+]C[C@@H]1CCC[C@H]1Oc1ccccc1 37161454 169208624 /nfs/dbraw/zinc/20/86/24/169208624.db2.gz HSAGVXITTBKBII-CMPLNLGQSA-N 1 0 191.274 2.193 10 0 AEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1cccnc1 62567504 169208633 /nfs/dbraw/zinc/20/86/33/169208633.db2.gz AUHZAWZDIUEHQW-CMPLNLGQSA-N 1 0 190.290 2.314 10 0 AEAERO [NH3+]C[C@@H]1CCCNc2ccc(F)cc21 82387218 169208663 /nfs/dbraw/zinc/20/86/63/169208663.db2.gz ROHINLGPJBGEER-QMMMGPOBSA-N 1 0 194.253 2.074 10 0 AEAERO [NH3+]C[C@@H]1CCCOc2c(F)cccc21 62567808 169208671 /nfs/dbraw/zinc/20/86/71/169208671.db2.gz IJTOHKFAORGWQN-QMMMGPOBSA-N 1 0 195.237 2.041 10 0 AEAERO [NH3+]C[C@@H]1CCNc2c(Cl)cccc21 71482127 169208753 /nfs/dbraw/zinc/20/87/53/169208753.db2.gz WOZDVBNKBXQETB-ZETCQYMHSA-N 1 0 196.681 2.198 10 0 AEAERO [NH3+]C[C@@H]1CCC[C@H]1OC1CCCCC1 35235786 169208770 /nfs/dbraw/zinc/20/87/70/169208770.db2.gz DEOZILCZJRPPKA-CMPLNLGQSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+]C[C@@H]1CCCNc2c(F)cccc21 82387217 169208956 /nfs/dbraw/zinc/20/89/56/169208956.db2.gz IANYPTZPWFUSRB-QMMMGPOBSA-N 1 0 194.253 2.074 10 0 AEAERO [NH3+]C[C@@H]1CCSc2ccccc2C1 82387746 169209299 /nfs/dbraw/zinc/20/92/99/169209299.db2.gz SSSQMUPEUYICFI-SECBINFHSA-N 1 0 193.315 2.300 10 0 AEAERO [NH3+]C[C@@H]1CCOc2c(Cl)cccc21 41209213 169209388 /nfs/dbraw/zinc/20/93/88/169209388.db2.gz RSSCHIVJPRHCPJ-ZETCQYMHSA-N 1 0 197.665 2.165 10 0 AEAERO [NH3+]C[C@@H]1C[C@@H]1C1CCCCC1 54587112 169209490 /nfs/dbraw/zinc/20/94/90/169209490.db2.gz WYPPRMHABPCGAL-VHSXEESVSA-N 1 0 153.269 2.162 10 0 AEAERO [NH3+]C[C@@H]1CSc2c(F)cccc2C1 82385022 169209500 /nfs/dbraw/zinc/20/95/00/169209500.db2.gz BJIACTOXZZIPOJ-SSDOTTSWSA-N 1 0 197.278 2.049 10 0 AEAERO [NH3+]C[C@@H]1CSc2ccc(F)cc2C1 82385027 169209526 /nfs/dbraw/zinc/20/95/26/169209526.db2.gz NQWXYSLBXYJUER-SSDOTTSWSA-N 1 0 197.278 2.049 10 0 AEAERO [NH3+]C[C@@H]1CCc2cccc(Cl)c21 58519965 169209668 /nfs/dbraw/zinc/20/96/68/169209668.db2.gz JPFKDILPKOIILD-QMMMGPOBSA-N 1 0 181.666 2.329 10 0 AEAERO [NH3+]C[C@@H]1CCc2cc(Cl)ccc2C1 57937590 169209868 /nfs/dbraw/zinc/20/98/68/169209868.db2.gz ZJZODXHSYGDCTQ-MRVPVSSYSA-N 1 0 195.693 2.404 10 0 AEAERO [NH3+]C[C@@H]1CCSc2ccc(F)cc21 82385019 169210177 /nfs/dbraw/zinc/21/01/77/169210177.db2.gz XYVCVWSNXZUYGC-ZETCQYMHSA-N 1 0 197.278 2.364 10 0 AEAERO [NH3+]C[C@@H]1CCOc2cc(Cl)ccc21 82910949 169210182 /nfs/dbraw/zinc/21/01/82/169210182.db2.gz WIURCVPQSUQACZ-ZETCQYMHSA-N 1 0 197.665 2.165 10 0 AEAERO [NH3+]C[C@@H]1CCc2c(Cl)cccc21 41201906 169210238 /nfs/dbraw/zinc/21/02/38/169210238.db2.gz HXMMTXQYXSBBFX-ZETCQYMHSA-N 1 0 181.666 2.329 10 0 AEAERO [NH3+]C[C@@H]1CCc2cccc(Cl)c2C1 57937592 169210260 /nfs/dbraw/zinc/21/02/60/169210260.db2.gz OZAXRLBAKJPCFW-MRVPVSSYSA-N 1 0 195.693 2.404 10 0 AEAERO [NH3+]C[C@@H]1CCc2cccc3[nH]cc1c23 3646657 169210304 /nfs/dbraw/zinc/21/03/04/169210304.db2.gz PKWJZQKTYSEOEQ-VIFPVBQESA-N 1 0 186.258 2.156 10 0 in-vitro AEAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Cl)s1 54586997 169210595 /nfs/dbraw/zinc/21/05/95/169210595.db2.gz VNKSKNQCFLQRCN-NTSWFWBYSA-N 1 0 187.695 2.464 10 0 AEAERO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Cl)s1 54587000 169210815 /nfs/dbraw/zinc/21/08/15/169210815.db2.gz VNKSKNQCFLQRCN-WDSKDSINSA-N 1 0 187.695 2.464 10 0 AEAERO [NH3+]C[C@H](Cc1ccccc1F)C1CC1 41206265 169211295 /nfs/dbraw/zinc/21/12/95/169211295.db2.gz HSEANARAUJGHOF-NSHDSACASA-N 1 0 193.265 2.353 10 0 AEAERO [NH3+]C[C@H](C1CCCC1)C1CC1 19044761 169211353 /nfs/dbraw/zinc/21/13/53/169211353.db2.gz UCZQWGLCZVDKLA-SNVBAGLBSA-N 1 0 153.269 2.162 10 0 AEAERO [NH3+]C[C@H](Cc1ccc(F)cc1)C1CC1 41206269 169212079 /nfs/dbraw/zinc/21/20/79/169212079.db2.gz LPAGAOQIHIFCPA-NSHDSACASA-N 1 0 193.265 2.353 10 0 AEAERO [NH3+]C[C@H](O)C1CCCCCCCC1 28222263 169213417 /nfs/dbraw/zinc/21/34/17/169213417.db2.gz DPZZNVKBRAZGQC-NSHDSACASA-N 1 0 185.311 2.057 10 0 AEAERO [NH3+]C[C@H](OCC1CC1)c1cccs1 43110264 169213715 /nfs/dbraw/zinc/21/37/15/169213715.db2.gz UAVOHIGNPHYPLL-VIFPVBQESA-N 1 0 197.303 2.175 10 0 AEAERO [NH3+]C[C@H](c1cccc(F)c1)C1CC1 41200793 169213892 /nfs/dbraw/zinc/21/38/92/169213892.db2.gz DHEUAASVPZFJEW-NSHDSACASA-N 1 0 179.238 2.278 10 0 AEAERO [NH3+]C[C@H](c1ccccc1)c1ccco1 19675002 169213908 /nfs/dbraw/zinc/21/39/08/169213908.db2.gz LDBPOIXQIXENTR-LLVKDONJSA-N 1 0 187.242 2.370 10 0 AEAERO [NH3+]C[C@H](c1ccccc1F)C1CC1 41200785 169213916 /nfs/dbraw/zinc/21/39/16/169213916.db2.gz ILHIXYGNRIPCKM-JTQLQIEISA-N 1 0 179.238 2.278 10 0 AEAERO [NH3+]C[C@H](c1cc(F)cc(F)c1)C1CC1 41208966 169213949 /nfs/dbraw/zinc/21/39/49/169213949.db2.gz QOWTYACZOJOOOD-NSHDSACASA-N 1 0 197.228 2.417 10 0 AEAERO [NH3+]C[C@H](c1ccc(F)cc1)C1CC1 19726187 169213953 /nfs/dbraw/zinc/21/39/53/169213953.db2.gz XAHUMBZVEGQSNG-NSHDSACASA-N 1 0 179.238 2.278 10 0 AEAERO [NH3+]C[C@H](c1ccc(F)c(F)c1)C1CC1 41207482 169213960 /nfs/dbraw/zinc/21/39/60/169213960.db2.gz MUPYBZVLVSFHLR-VIFPVBQESA-N 1 0 197.228 2.417 10 0 AEAERO [NH3+]C[C@H](c1cc(F)ccc1F)C1CC1 71507461 169213978 /nfs/dbraw/zinc/21/39/78/169213978.db2.gz IGVIMTBXTXMCJA-JTQLQIEISA-N 1 0 197.228 2.417 10 0 AEAERO [NH3+]C[C@H](OCC1CC1)c1ccsc1 43125175 169213991 /nfs/dbraw/zinc/21/39/91/169213991.db2.gz MJULPBNWIJIVHJ-JTQLQIEISA-N 1 0 197.303 2.175 10 0 AEAERO [NH3+]C[C@H](c1ccccc1)c1cc[nH]c1 71499817 169214119 /nfs/dbraw/zinc/21/41/19/169214119.db2.gz GWWGGZRTANXDDH-GFCCVEGCSA-N 1 0 186.258 2.105 10 0 AEAERO [NH3+]C[C@H](c1cc[nH]c1)c1cccs1 71506211 169214123 /nfs/dbraw/zinc/21/41/23/169214123.db2.gz LDTOCLCWIKSAFV-SECBINFHSA-N 1 0 192.287 2.167 10 0 AEAERO [NH3+]C[C@H](c1ccccc1)n1cccc1 20268556 169214138 /nfs/dbraw/zinc/21/41/38/169214138.db2.gz SSQNETZEYAKUES-GFCCVEGCSA-N 1 0 186.258 2.036 10 0 AEAERO [NH3+]C[C@H](c1ccc(F)cc1F)C1CC1 71507469 169214208 /nfs/dbraw/zinc/21/42/08/169214208.db2.gz HHVAIKFDUIBBQL-JTQLQIEISA-N 1 0 197.228 2.417 10 0 AEAERO [NH3+]C[C@H](c1cccnc1)C1CCCC1 82883708 169214210 /nfs/dbraw/zinc/21/42/10/169214210.db2.gz SFGJSMLIFFNVNG-LBPRGKRZSA-N 1 0 190.290 2.314 10 0 AEAERO [NH3+]C[C@H](c1ccccn1)C1CCCC1 82883704 169214256 /nfs/dbraw/zinc/21/42/56/169214256.db2.gz DNTLJUGWZOPDJJ-NSHDSACASA-N 1 0 190.290 2.314 10 0 AEAERO [NH3+]C[C@H](c1ccccc1)c1ccc[nH]1 71499813 169214359 /nfs/dbraw/zinc/21/43/59/169214359.db2.gz BEVVTJHCCFHXII-LLVKDONJSA-N 1 0 186.258 2.105 10 0 AEAERO [NH3+]C[C@H](c1ccc[nH]1)c1cccs1 71506208 169214402 /nfs/dbraw/zinc/21/44/02/169214402.db2.gz XTJIALQHNMUEDG-MRVPVSSYSA-N 1 0 192.287 2.167 10 0 AEAERO [NH3+]C[C@H](c1cc[nH]c1)C1CCCC1 71497658 169214443 /nfs/dbraw/zinc/21/44/43/169214443.db2.gz QAWWYYINURGEQX-NSHDSACASA-N 1 0 178.279 2.247 10 0 AEAERO [NH3+]C[C@H]1C=Cc2cc(Cl)ccc21 57936234 169214536 /nfs/dbraw/zinc/21/45/36/169214536.db2.gz HNWYELHKXARFBT-MRVPVSSYSA-N 1 0 179.650 2.409 10 0 AEAERO [NH3+]C[C@H]1CCCCc2ccccc21 37245712 169214623 /nfs/dbraw/zinc/21/46/23/169214623.db2.gz IGLSDLDKYJAVQW-LLVKDONJSA-N 1 0 175.275 2.455 10 0 AEAERO [NH3+]C[C@H]1C=Cc2cccc(Cl)c21 57936244 169214629 /nfs/dbraw/zinc/21/46/29/169214629.db2.gz QDXMXKSUNYKOCS-MRVPVSSYSA-N 1 0 179.650 2.409 10 0 AEAERO [NH3+]C[C@H](c1ccco1)C1CCC1 19726255 169214646 /nfs/dbraw/zinc/21/46/46/169214646.db2.gz KNAFIWNVBNGERD-VIFPVBQESA-N 1 0 165.236 2.122 10 0 AEAERO [NH3+]C[C@H]1CCCC[C@H]1C(F)F 82163079 169214648 /nfs/dbraw/zinc/21/46/48/169214648.db2.gz VBHBQBAXEWTZIM-RNFRBKRXSA-N 1 0 163.211 2.017 10 0 AEAERO NC[C@H]1CCCC[N@@H+]1C1CCCCC1 44540284 169214702 /nfs/dbraw/zinc/21/47/02/169214702.db2.gz HWNROLPBFSIDJQ-GFCCVEGCSA-N 1 0 196.338 2.132 10 0 AEAERO [NH3+]C[C@H]1CCCC2(CCC2)C1 66055252 169214777 /nfs/dbraw/zinc/21/47/77/169214777.db2.gz KVGWEHKKOYAVJY-VIFPVBQESA-N 1 0 153.269 2.306 10 0 AEAERO [NH3+]C[C@H](c1cccs1)C1CC1 19726169 169214932 /nfs/dbraw/zinc/21/49/32/169214932.db2.gz FOTJDFPITAALDG-QMMMGPOBSA-N 1 0 167.277 2.200 10 0 AEAERO [NH3+]C[C@H]1CC12CCCCCC2 54588184 169215131 /nfs/dbraw/zinc/21/51/31/169215131.db2.gz PRSRAPWGGFYGRF-SECBINFHSA-N 1 0 153.269 2.306 10 0 AEAERO [NH3+]C[C@H]1CCCC[C@H]1C(F)(F)F 72266382 169215210 /nfs/dbraw/zinc/21/52/10/169215210.db2.gz CZGOAYQUWPMQDF-RNFRBKRXSA-N 1 0 181.201 2.314 10 0 in-vitro AEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(F)(F)F 72266381 169215238 /nfs/dbraw/zinc/21/52/38/169215238.db2.gz CZGOAYQUWPMQDF-RQJHMYQMSA-N 1 0 181.201 2.314 10 0 in-vitro AEAERO [NH3+]C[C@H]1CCCC[C@H]1c1cccnc1 62567501 169215254 /nfs/dbraw/zinc/21/52/54/169215254.db2.gz AUHZAWZDIUEHQW-ZYHUDNBSSA-N 1 0 190.290 2.314 10 0 AEAERO [NH3+]C[C@H](c1cccs1)C(F)(F)F 12374957 169215258 /nfs/dbraw/zinc/21/52/58/169215258.db2.gz WIGABQUFRDPEIP-RXMQYKEDSA-N 1 0 195.209 2.353 10 0 AEAERO [NH3+]C[C@H]1CC12C1CC3CC(C1)CC2C3 3637399 169215338 /nfs/dbraw/zinc/21/53/38/169215338.db2.gz JYMRKYUDQLOGIN-RVTXZMPXSA-N 1 0 191.318 2.408 10 0 AEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(F)F 82163078 169215394 /nfs/dbraw/zinc/21/53/94/169215394.db2.gz VBHBQBAXEWTZIM-RQJHMYQMSA-N 1 0 163.211 2.017 10 0 AEAERO [NH3+]C[C@H]1CCCC[C@@H]1OC1CCCC1 35235837 169215437 /nfs/dbraw/zinc/21/54/37/169215437.db2.gz AFLLPSAIUFMZPR-PWSUYJOCSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1cccnc1 62567502 169215513 /nfs/dbraw/zinc/21/55/13/169215513.db2.gz AUHZAWZDIUEHQW-PWSUYJOCSA-N 1 0 190.290 2.314 10 0 AEAERO [NH3+]C[C@H]1CCCC[C@H]1OC1CCCC1 35235836 169215524 /nfs/dbraw/zinc/21/55/24/169215524.db2.gz AFLLPSAIUFMZPR-ZYHUDNBSSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+]C[C@H](c1cccs1)n1cccc1 20268545 169215530 /nfs/dbraw/zinc/21/55/30/169215530.db2.gz JZYIFIRFMIKCCP-SECBINFHSA-N 1 0 192.287 2.098 10 0 AEAERO [NH3+]C[C@H](c1ccncc1)C1CCCC1 82883698 169215602 /nfs/dbraw/zinc/21/56/02/169215602.db2.gz VCKDENINETZOLX-LBPRGKRZSA-N 1 0 190.290 2.314 10 0 AEAERO [NH3+]C[C@H]1CCNc2ccc(Cl)cc21 71482141 169215711 /nfs/dbraw/zinc/21/57/11/169215711.db2.gz GRJVURNHXGDAOP-SSDOTTSWSA-N 1 0 196.681 2.198 10 0 AEAERO [NH3+]C[C@H]1CCSc2ccc(F)cc21 82385020 169215748 /nfs/dbraw/zinc/21/57/48/169215748.db2.gz XYVCVWSNXZUYGC-SSDOTTSWSA-N 1 0 197.278 2.364 10 0 AEAERO [NH3+]C[C@H]1CCCOc2ccc(F)cc21 62567812 169215778 /nfs/dbraw/zinc/21/57/78/169215778.db2.gz KVIKAMPKUSTTLN-MRVPVSSYSA-N 1 0 195.237 2.041 10 0 AEAERO 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/nfs/dbraw/zinc/06/22/56/171062256.db2.gz WBYPFIWMZHMHCR-UHFFFAOYSA-N 1 0 193.315 2.489 10 0 AEAERO c1cc(CC[NH2+]C2CC2)cs1 36947941 171062354 /nfs/dbraw/zinc/06/23/54/171062354.db2.gz LAKXUOSAUPHEAE-UHFFFAOYSA-N 1 0 167.277 2.043 10 0 AEAERO CCNc1ccc(C[NH+](C)C)cc1 37141500 171062830 /nfs/dbraw/zinc/06/28/30/171062830.db2.gz XJOPNHGRCZBNBN-UHFFFAOYSA-N 1 0 178.279 2.180 10 0 AEAERO C1C[NH+]=C(NCC2CCCC2)SC1 37258906 171063227 /nfs/dbraw/zinc/06/32/27/171063227.db2.gz DREDDFUJBKJVOX-UHFFFAOYSA-N 1 0 198.335 2.259 10 0 AEAERO CC(C)C[C@@H](C)[NH+]1CCC(=O)CC1 37264966 171063247 /nfs/dbraw/zinc/06/32/47/171063247.db2.gz BFLGVOOLYWKDTC-SNVBAGLBSA-N 1 0 183.295 2.086 10 0 AEAERO CCC[NH2+][C@@H](C)C1(C)CC1 37467488 171064973 /nfs/dbraw/zinc/06/49/73/171064973.db2.gz RKDJYFXQTLPJTB-QMMMGPOBSA-N 1 0 141.258 2.175 10 0 AEAERO Cc1ccccc1SCC(N)=[NH2+] 37665810 171065860 /nfs/dbraw/zinc/06/58/60/171065860.db2.gz WTUPDLCTCQVTCD-UHFFFAOYSA-N 1 0 180.276 2.023 10 0 AEAERO CC[NH+](CC)[C@@H]1CCCCCC1=O 37660903 171065871 /nfs/dbraw/zinc/06/58/71/171065871.db2.gz WKEOTJVMMXKXLZ-SNVBAGLBSA-N 1 0 183.295 2.230 10 0 AEAERO C=Cc1ccccc1CC[NH2+]C 75545087 171067167 /nfs/dbraw/zinc/06/71/67/171067167.db2.gz WIISKLRALADTRA-UHFFFAOYSA-N 1 0 161.248 2.092 10 0 AEAERO COc1ccccc1CC[C@@H](C)C[NH3+] 76581694 171067820 /nfs/dbraw/zinc/06/78/20/171067820.db2.gz NWKJYPKOGVLECG-SNVBAGLBSA-N 1 0 193.290 2.223 10 0 AEAERO COc1ccccc1CC[C@H](C)C[NH3+] 76581691 171068133 /nfs/dbraw/zinc/06/81/33/171068133.db2.gz NWKJYPKOGVLECG-JTQLQIEISA-N 1 0 193.290 2.223 10 0 AEAERO N#[N+]c1cccc(F)c1 38665426 171070112 /nfs/dbraw/zinc/07/01/12/171070112.db2.gz DRWIWCJJCVACHJ-UHFFFAOYSA-N 1 0 123.110 2.310 10 0 AEAERO N#[N+]c1ccc(F)c(F)c1 38523264 171070120 /nfs/dbraw/zinc/07/01/20/171070120.db2.gz XVAYYXDYFLNTKZ-UHFFFAOYSA-N 1 0 141.100 2.449 10 0 AEAERO CC1(C)[C@H]2CC[C@@](C)(C[NH3+])[C@@H]1C2 38614780 171070184 /nfs/dbraw/zinc/07/01/84/171070184.db2.gz NKOAXFJPHBJQSO-NGZCFLSTSA-N 1 0 167.296 2.408 10 0 AEAERO CC1(C)O[C@@H]1C[NH2+]C1CCCCC1 38804143 171070409 /nfs/dbraw/zinc/07/04/09/171070409.db2.gz MLCKUTKXUTWNOU-SNVBAGLBSA-N 1 0 183.295 2.086 10 0 AEAERO CCC/C=C/C[C@@H](C)[NH3+] 38948601 171070450 /nfs/dbraw/zinc/07/04/50/171070450.db2.gz YKZXNHQJMQVCIR-HQZHTGGTSA-N 1 0 127.231 2.080 10 0 AEAERO CCC/C=C/C[C@H](C)[NH3+] 38948603 171070588 /nfs/dbraw/zinc/07/05/88/171070588.db2.gz YKZXNHQJMQVCIR-GJIOHYHPSA-N 1 0 127.231 2.080 10 0 AEAERO CC1(C)O[C@H]1C[NH2+]C1CCCCC1 38804141 171070900 /nfs/dbraw/zinc/07/09/00/171070900.db2.gz MLCKUTKXUTWNOU-JTQLQIEISA-N 1 0 183.295 2.086 10 0 AEAERO COC1=CC(=[NH2+])CC(C)(C)C1 39089226 171074369 /nfs/dbraw/zinc/07/43/69/171074369.db2.gz YYHUPIVYDBDDID-UHFFFAOYSA-N 1 0 153.225 2.356 10 0 AEAERO CC/C=C/C1=[NH+]CCC1 39094609 171074959 /nfs/dbraw/zinc/07/49/59/171074959.db2.gz XOFGPSGUVUQYAJ-HWKANZROSA-N 1 0 123.199 2.187 10 0 AEAERO C[C@H]1C[NH+]=CN1CCC1CCCC1 39111966 171075737 /nfs/dbraw/zinc/07/57/37/171075737.db2.gz PARSRPCWYSVNLQ-JTQLQIEISA-N 1 0 180.295 2.299 10 0 AEAERO CNc1ccc(C[NH+]2CCCCC2)o1 39126923 171075940 /nfs/dbraw/zinc/07/59/40/171075940.db2.gz XINMYDPYWQUKCE-UHFFFAOYSA-N 1 0 194.278 2.307 10 0 AEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1ccccc1 39135689 171076834 /nfs/dbraw/zinc/07/68/34/171076834.db2.gz NFISWOCMUKKIGN-VHSXEESVSA-N 1 0 161.248 2.137 10 0 AEAERO N#[N+]c1c(F)cccc1F 39160723 171076958 /nfs/dbraw/zinc/07/69/58/171076958.db2.gz NBDNXDPJTJHNGS-UHFFFAOYSA-N 1 0 141.100 2.449 10 0 AEAERO N#[N+]c1ccc(F)cc1F 39212568 171077625 /nfs/dbraw/zinc/07/76/25/171077625.db2.gz UVNBLIFEQQFJMM-UHFFFAOYSA-N 1 0 141.100 2.449 10 0 AEAERO Oc1cccc(CC[NH+]2CCCC2)c1 39284779 171078339 /nfs/dbraw/zinc/07/83/39/171078339.db2.gz WAHJGWKYFSVYNM-UHFFFAOYSA-N 1 0 191.274 2.031 10 0 AEAERO [NH3+]CC1=CCCc2c(F)cccc21 39613940 171079311 /nfs/dbraw/zinc/07/93/11/171079311.db2.gz UKJXNRLDIBYCOW-UHFFFAOYSA-N 1 0 177.222 2.114 10 0 AEAERO C[NH+]1CCC2(C=CCC2)CC1 39080232 171080854 /nfs/dbraw/zinc/08/08/54/171080854.db2.gz AAOZOLHUHHXTQF-UHFFFAOYSA-N 1 0 151.253 2.048 10 0 AEAERO CCCc1ncc(C[NH2+]CC)s1 40996644 171081550 /nfs/dbraw/zinc/08/15/50/171081550.db2.gz OCLCZPHGXNZZOB-UHFFFAOYSA-N 1 0 184.308 2.205 10 0 AEAERO CCCc1ncc(C[NH2+]C2CC2)s1 40996808 171081720 /nfs/dbraw/zinc/08/17/20/171081720.db2.gz UMKAIUOUEIXMNN-UHFFFAOYSA-N 1 0 196.319 2.348 10 0 AEAERO Cc1ccccc1O[C@H](C)[C@@H](C)[NH3+] 41054027 171082306 /nfs/dbraw/zinc/08/23/06/171082306.db2.gz FPPPAGDVTKGVPY-NXEZZACHSA-N 1 0 179.263 2.110 10 0 AEAERO Cc1ccccc1O[C@H](C)[C@H](C)[NH3+] 41054029 171082388 /nfs/dbraw/zinc/08/23/88/171082388.db2.gz FPPPAGDVTKGVPY-VHSXEESVSA-N 1 0 179.263 2.110 10 0 AEAERO CC(C)(C)[C@@H](CN)[NH+]1CCCCCC1 41051503 171082399 /nfs/dbraw/zinc/08/23/99/171082399.db2.gz NWMGALLRVQUCGV-LLVKDONJSA-N 1 0 198.354 2.236 10 0 AEAERO Cc1ccccc1O[C@@H](C)[C@@H](C)[NH3+] 41054026 171082485 /nfs/dbraw/zinc/08/24/85/171082485.db2.gz FPPPAGDVTKGVPY-ZJUUUORDSA-N 1 0 179.263 2.110 10 0 AEAERO Cc1ccccc1O[C@@H](C)[C@H](C)[NH3+] 41054028 171082597 /nfs/dbraw/zinc/08/25/97/171082597.db2.gz FPPPAGDVTKGVPY-UWVGGRQHSA-N 1 0 179.263 2.110 10 0 AEAERO Cc1ccccc1[C@@H]1C[NH2+]CCS1 41206528 171083028 /nfs/dbraw/zinc/08/30/28/171083028.db2.gz QTQFBWNFXBFGNI-NSHDSACASA-N 1 0 193.315 2.373 10 0 AEAERO COc1ccccc1CCCCC[NH3+] 41206379 171083095 /nfs/dbraw/zinc/08/30/95/171083095.db2.gz HODXGEGFAYXSDS-UHFFFAOYSA-N 1 0 193.290 2.367 10 0 AEAERO Cc1ccccc1[C@@H](C[NH3+])C1CC1 41199304 171083115 /nfs/dbraw/zinc/08/31/15/171083115.db2.gz ILNCETRKHXIFHQ-LBPRGKRZSA-N 1 0 175.275 2.447 10 0 AEAERO [NH3+]CC/C=C/c1cccc(F)c1 41167913 171083272 /nfs/dbraw/zinc/08/32/72/171083272.db2.gz IQWBHLQWLFOONV-DAFODLJHSA-N 1 0 165.211 2.188 10 0 AEAERO [NH3+]CC/C=C/c1cc(F)cc(F)c1 41202243 171083358 /nfs/dbraw/zinc/08/33/58/171083358.db2.gz YYBDDNXVIRJSNR-HNQUOIGGSA-N 1 0 183.201 2.327 10 0 AEAERO Cc1ccccc1[C@H](C[NH3+])C1CC1 41199307 171083401 /nfs/dbraw/zinc/08/34/01/171083401.db2.gz ILNCETRKHXIFHQ-GFCCVEGCSA-N 1 0 175.275 2.447 10 0 AEAERO [NH3+]CC/C=C/c1ccc(F)c(F)c1 41202234 171083453 /nfs/dbraw/zinc/08/34/53/171083453.db2.gz ULAJQQWUULLJES-HNQUOIGGSA-N 1 0 183.201 2.327 10 0 AEAERO Cc1ccccc1C1(CC[NH3+])CC1 41199280 171083463 /nfs/dbraw/zinc/08/34/63/171083463.db2.gz WVARNIOVAJDNGV-UHFFFAOYSA-N 1 0 175.275 2.375 10 0 AEAERO [NH3+]CC/C=C/c1ccccc1F 41167911 171083475 /nfs/dbraw/zinc/08/34/75/171083475.db2.gz NJLGDEVVVLYMME-ZZXKWVIFSA-N 1 0 165.211 2.188 10 0 AEAERO CC(C)=CC1=[NH+]CCC1 39094694 171084086 /nfs/dbraw/zinc/08/40/86/171084086.db2.gz SXAJCWSPDCEECY-UHFFFAOYSA-N 1 0 123.199 2.187 10 0 AEAERO [NH2+]=C1N[C@@H](c2ccccc2)CCS1 39221114 171084970 /nfs/dbraw/zinc/08/49/70/171084970.db2.gz BYXPDQLOSVNFLE-SECBINFHSA-N 1 0 192.287 2.179 10 0 AEAERO [NH2+]=C1N[C@H](c2ccccc2)CCS1 39221112 171085098 /nfs/dbraw/zinc/08/50/98/171085098.db2.gz BYXPDQLOSVNFLE-VIFPVBQESA-N 1 0 192.287 2.179 10 0 AEAERO Cc1ccccc1C(=O)C[NH2+]C(C)C 82530429 171086190 /nfs/dbraw/zinc/08/61/90/171086190.db2.gz HUZMNHPLBVWKCS-UHFFFAOYSA-N 1 0 191.274 2.176 10 0 AEAERO CCCc1ncsc1C[NH2+]C1CC1 82426310 171086218 /nfs/dbraw/zinc/08/62/18/171086218.db2.gz RRYMJHITMUSEOQ-UHFFFAOYSA-N 1 0 196.319 2.348 10 0 AEAERO CC(C)O[C@@H](C[NH3+])c1ccc(F)cc1 42916613 171086667 /nfs/dbraw/zinc/08/66/67/171086667.db2.gz TULJSKQBRLJMCW-NSHDSACASA-N 1 0 197.253 2.251 10 0 AEAERO Cc1ccccc1N[C@@H]1CCC[NH2+]C1 43324410 171087200 /nfs/dbraw/zinc/08/72/00/171087200.db2.gz PERDDGHPTLVCNC-LLVKDONJSA-N 1 0 190.290 2.159 10 0 AEAERO Cc1ccccc1N[C@H]1CCC[NH2+]C1 43324412 171087494 /nfs/dbraw/zinc/08/74/94/171087494.db2.gz PERDDGHPTLVCNC-NSHDSACASA-N 1 0 190.290 2.159 10 0 AEAERO CC(C)O[C@@H](C[NH3+])c1ccsc1 43124981 171087640 /nfs/dbraw/zinc/08/76/40/171087640.db2.gz VOSKRARTNDXWKP-VIFPVBQESA-N 1 0 185.292 2.173 10 0 AEAERO Fc1cc(CC2C[NH2+]C2)ccc1Cl 43388610 171087737 /nfs/dbraw/zinc/08/77/37/171087737.db2.gz BZHPTCOPSSQMMK-UHFFFAOYSA-N 1 0 199.656 2.241 10 0 AEAERO Cc1ccccc1S[C@@H](C)C(N)=[NH2+] 43516580 171087882 /nfs/dbraw/zinc/08/78/82/171087882.db2.gz TZEBWEXUYLWVAL-QMMMGPOBSA-N 1 0 194.303 2.412 10 0 AEAERO Cc1ccccc1S[C@H](C)C[NH3+] 43514730 171087943 /nfs/dbraw/zinc/08/79/43/171087943.db2.gz VAQNBBLTPYNRIU-SECBINFHSA-N 1 0 181.304 2.434 10 0 AEAERO Oc1ccc(C[NH2+]C2CC2)cc1Cl 43476585 171088185 /nfs/dbraw/zinc/08/81/85/171088185.db2.gz RCSKBESMQUXWFX-UHFFFAOYSA-N 1 0 197.665 2.298 10 0 AEAERO Cc1ccccc1S[C@@H](C)C[NH3+] 43514729 171088314 /nfs/dbraw/zinc/08/83/14/171088314.db2.gz VAQNBBLTPYNRIU-VIFPVBQESA-N 1 0 181.304 2.434 10 0 AEAERO Cc1ccccc1S[C@H](C)C(N)=[NH2+] 43516581 171088393 /nfs/dbraw/zinc/08/83/93/171088393.db2.gz TZEBWEXUYLWVAL-MRVPVSSYSA-N 1 0 194.303 2.412 10 0 AEAERO CC[NH+](CC)[C@@H]1CCCCCC[C@H]1O 44115813 171088793 /nfs/dbraw/zinc/08/87/93/171088793.db2.gz HOWOQLBBQXZHRJ-VXGBXAGGSA-N 1 0 199.338 2.412 10 0 AEAERO CCC[NH2+][C@@H](C)CCOCC1CC1 44067854 171088886 /nfs/dbraw/zinc/08/88/86/171088886.db2.gz NGGKQCPENYTXII-JTQLQIEISA-N 1 0 185.311 2.191 10 0 AEAERO CC[NH+](CC)[C@@H]1CCCCC[C@@H]1O 44115760 171088901 /nfs/dbraw/zinc/08/89/01/171088901.db2.gz OVRDBKMJSRTVQB-MNOVXSKESA-N 1 0 185.311 2.022 10 0 AEAERO CC[NH+](CC)[C@@H]1CCCCCC[C@@H]1O 44115808 171089118 /nfs/dbraw/zinc/08/91/18/171089118.db2.gz HOWOQLBBQXZHRJ-NEPJUHHUSA-N 1 0 199.338 2.412 10 0 AEAERO CCC[NH2+][C@@H](C)CCOC(C)C 44066317 171089238 /nfs/dbraw/zinc/08/92/38/171089238.db2.gz GILVYCUTRZHATR-JTQLQIEISA-N 1 0 173.300 2.190 10 0 AEAERO Cc1ccc2[nH]c(CCC[NH3+])cc2c1 44283208 171089810 /nfs/dbraw/zinc/08/98/10/171089810.db2.gz JLQUUXQTRLJEFM-UHFFFAOYSA-N 1 0 188.274 2.368 10 0 AEAERO [NH3+]C/C=C(\Cl)c1ccc(F)cc1 44236604 171089894 /nfs/dbraw/zinc/08/98/94/171089894.db2.gz FHRAJJGFLQUDSJ-UITAMQMPSA-N 1 0 185.629 2.364 10 0 AEAERO CC(C)c1cccc(CC[NH3+])c1 44372296 171090005 /nfs/dbraw/zinc/09/00/05/171090005.db2.gz IIPUIQGPHGDDRU-UHFFFAOYSA-N 1 0 163.264 2.311 10 0 AEAERO CN1CCCC[C@@H]1C[NH2+]C1CCCC1 44561955 171090211 /nfs/dbraw/zinc/09/02/11/171090211.db2.gz PRBZWBYMQOMLRB-GFCCVEGCSA-N 1 0 196.338 2.003 10 0 AEAERO CC/C=C/C[C@H]([NH3+])CC 44403286 171090226 /nfs/dbraw/zinc/09/02/26/171090226.db2.gz GWPZIFAWAISRPE-HQZHTGGTSA-N 1 0 127.231 2.080 10 0 AEAERO CN1CCCC[C@H]1C[NH2+]C1CCCC1 44561956 171090234 /nfs/dbraw/zinc/09/02/34/171090234.db2.gz PRBZWBYMQOMLRB-LBPRGKRZSA-N 1 0 196.338 2.003 10 0 AEAERO CC/C=C/C=C/C[C@H](C)[NH3+] 44410609 171090315 /nfs/dbraw/zinc/09/03/15/171090315.db2.gz PXAMXFGKYCYNDO-IAKNQCKFSA-N 1 0 139.242 2.246 10 0 AEAERO c1ccc(CC[NH2+]C2CCC2)cc1 44480069 171090346 /nfs/dbraw/zinc/09/03/46/171090346.db2.gz HRVCWZUNLPBJCU-UHFFFAOYSA-N 1 0 175.275 2.371 10 0 AEAERO CC/C=C/C=C/C[C@@H](C)[NH3+] 44410606 171090440 /nfs/dbraw/zinc/09/04/40/171090440.db2.gz PXAMXFGKYCYNDO-QLZAQQANSA-N 1 0 139.242 2.246 10 0 AEAERO CCC/C=C/C[C@@H]([NH3+])CC 44399760 171090578 /nfs/dbraw/zinc/09/05/78/171090578.db2.gz OHKPMTSDDCZQQU-UCUJLANTSA-N 1 0 141.258 2.470 10 0 AEAERO Cc1ccc2[nH]c(C[C@H](C)[NH3+])cc2c1 44463236 171090582 /nfs/dbraw/zinc/09/05/82/171090582.db2.gz ARKCJDCTAPYQLY-VIFPVBQESA-N 1 0 188.274 2.366 10 0 AEAERO CCC/C=C/C[C@H]([NH3+])CC 44399758 171090612 /nfs/dbraw/zinc/09/06/12/171090612.db2.gz OHKPMTSDDCZQQU-XCODYQFDSA-N 1 0 141.258 2.470 10 0 AEAERO CCC/C=C/C=C/CC[NH3+] 44397583 171090637 /nfs/dbraw/zinc/09/06/37/171090637.db2.gz GJGVPAIZFYRJPE-YTXTXJHMSA-N 1 0 139.242 2.248 10 0 AEAERO CC/C=C/C[C@@H]([NH3+])CC 44403289 171090738 /nfs/dbraw/zinc/09/07/38/171090738.db2.gz GWPZIFAWAISRPE-GJIOHYHPSA-N 1 0 127.231 2.080 10 0 AEAERO Cc1ccc2[nH]c(C[C@@H](C)[NH3+])cc2c1 44463235 171090746 /nfs/dbraw/zinc/09/07/46/171090746.db2.gz ARKCJDCTAPYQLY-SECBINFHSA-N 1 0 188.274 2.366 10 0 AEAERO CC1(C)C[C@H]1N1CCCCC1=[NH2+] 45135507 171091264 /nfs/dbraw/zinc/09/12/64/171091264.db2.gz CVGXBYYGGLCLOT-MRVPVSSYSA-N 1 0 166.268 2.248 10 0 AEAERO CC1(C)C[C@@H]1N1CCCCC1=[NH2+] 45135506 171091629 /nfs/dbraw/zinc/09/16/29/171091629.db2.gz CVGXBYYGGLCLOT-QMMMGPOBSA-N 1 0 166.268 2.248 10 0 AEAERO [NH3+]CC1(c2ccco2)CCCCC1 45206705 171092163 /nfs/dbraw/zinc/09/21/63/171092163.db2.gz XLSHDHNJLGIKOR-UHFFFAOYSA-N 1 0 179.263 2.440 10 0 AEAERO CC[n+]1ccc(-c2ccncc2)cc1 49036585 171093689 /nfs/dbraw/zinc/09/36/89/171093689.db2.gz UUEAPRWEWBZAJQ-UHFFFAOYSA-N 1 0 185.250 2.056 10 0 AEAERO c1c[nH]c(C[NH2+]C2CCCC2)c1 48408810 171094278 /nfs/dbraw/zinc/09/42/78/171094278.db2.gz BRDFGECDKVBABY-UHFFFAOYSA-N 1 0 164.252 2.047 10 0 AEAERO [NH3+]C1(c2cncc(F)c2)CCCCC1 49575958 171094506 /nfs/dbraw/zinc/09/45/06/171094506.db2.gz SZWHQXSARCWNMA-UHFFFAOYSA-N 1 0 194.253 2.339 10 0 AEAERO CC1(C)CO[C@@H](c2ccc(F)cc2)[NH2+]1 49811470 171094899 /nfs/dbraw/zinc/09/48/99/171094899.db2.gz AXUSETYHGILLSH-JTQLQIEISA-N 1 0 195.237 2.223 10 0 AEAERO Cc1ccccc1[C@@H]1[NH2+]C(C)(C)CO1 49806699 171094946 /nfs/dbraw/zinc/09/49/46/171094946.db2.gz QWFFZYVUQDGDAB-LLVKDONJSA-N 1 0 191.274 2.392 10 0 AEAERO Cc1ccccc1[C@@H]1[NH2+]CCCO1 49805381 171094980 /nfs/dbraw/zinc/09/49/80/171094980.db2.gz VGICRQFJXNBCQW-LLVKDONJSA-N 1 0 177.247 2.004 10 0 AEAERO OCC1(C[NH+]2CCCCC2)CCCC1 49811813 171095025 /nfs/dbraw/zinc/09/50/25/171095025.db2.gz LKTHCRRPFUGBPF-UHFFFAOYSA-N 1 0 197.322 2.025 10 0 AEAERO CC1(C)CO[C@@H](c2cccs2)[NH2+]1 49805859 171095089 /nfs/dbraw/zinc/09/50/89/171095089.db2.gz HCAJTOPSOOJRFJ-QMMMGPOBSA-N 1 0 183.276 2.145 10 0 AEAERO OCC1(C[NH+]2CCCC2)CCCCC1 49811812 171095096 /nfs/dbraw/zinc/09/50/96/171095096.db2.gz APRYMDHVOZUAAP-UHFFFAOYSA-N 1 0 197.322 2.025 10 0 AEAERO CC1(C)CO[C@H](c2ccc(F)cc2)[NH2+]1 49811469 171095190 /nfs/dbraw/zinc/09/51/90/171095190.db2.gz AXUSETYHGILLSH-SNVBAGLBSA-N 1 0 195.237 2.223 10 0 AEAERO Cc1ccccc1CC1(C)C[NH2+]C1 49805254 171095264 /nfs/dbraw/zinc/09/52/64/171095264.db2.gz QQHXLDDNUISOMI-UHFFFAOYSA-N 1 0 175.275 2.147 10 0 AEAERO CC1(C)CO[C@H](c2cccs2)[NH2+]1 49805858 171095289 /nfs/dbraw/zinc/09/52/89/171095289.db2.gz HCAJTOPSOOJRFJ-MRVPVSSYSA-N 1 0 183.276 2.145 10 0 AEAERO CC1(C)CO[C@@H](c2ccsc2)C[NH2+]1 50339955 171095715 /nfs/dbraw/zinc/09/57/15/171095715.db2.gz VPOGLYQNZCAWHF-SECBINFHSA-N 1 0 197.303 2.188 10 0 AEAERO 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0 AEAERO C[C@H]1C[C@H]([C@H](C)[NH3+])CC[C@H]1C 221183779 344439204 /nfs/dbraw/zinc/43/92/04/344439204.db2.gz CPGVQIMNXURULX-XFWSIPNHSA-N 1 0 155.285 2.406 10 0 AEAERO C1C[NH2+]CC[C@H](CC2CC2)C1 221336053 344442407 /nfs/dbraw/zinc/44/24/07/344442407.db2.gz MVFZUOUISCDKEL-SECBINFHSA-N 1 0 153.269 2.176 10 0 AEAERO CC(C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C 221709667 344445639 /nfs/dbraw/zinc/44/56/39/344445639.db2.gz KPXMDPPGADTGGD-MNOVXSKESA-N 1 0 197.322 2.332 10 0 AEAERO C[C@H]1C[C@H](C)CC[C@@H]1CC[NH3+] 222385840 344451874 /nfs/dbraw/zinc/45/18/74/344451874.db2.gz FDUIXWMGFKYRRA-KXUCPTDWSA-N 1 0 155.285 2.408 10 0 AEAERO C[C@H]1CC[C@@H](C)C[C@]12CC[NH2+]C2 222386765 344451903 /nfs/dbraw/zinc/45/19/03/344451903.db2.gz ZSCVHUSJHRPQGC-VWYCJHECSA-N 1 0 167.296 2.422 10 0 AEAERO Cc1ccc(N)c(SC[C@H](C)[NH3+])c1 222943966 344455394 /nfs/dbraw/zinc/45/53/94/344455394.db2.gz KEDVBOSTMVEJII-QMMMGPOBSA-N 1 0 196.319 2.017 10 0 AEAERO Cc1cc(SC[C@H](C)[NH3+])ccc1N 222944103 344455402 /nfs/dbraw/zinc/45/54/02/344455402.db2.gz NTAOEJFVDOLYBY-QMMMGPOBSA-N 1 0 196.319 2.017 10 0 AEAERO CN(C)Cc1c(F)cccc1F 223036653 344455905 /nfs/dbraw/zinc/45/59/05/344455905.db2.gz GLYPKCPBWSNTMP-UHFFFAOYSA-N 1 0 171.190 2.026 10 0 AEAERO CC[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 221799371 344446230 /nfs/dbraw/zinc/44/62/30/344446230.db2.gz XEGFAQKQALYUMA-GUBZILKMSA-N 1 0 183.295 2.084 10 0 AEAERO CC[N@@H+]1C[C@@](C)(CC)NC[C@@H]1C(C)C 224180754 344467119 /nfs/dbraw/zinc/46/71/19/344467119.db2.gz WUNMHCKEDNHSDJ-VXGBXAGGSA-N 1 0 198.354 2.105 10 0 AEAERO CN(c1ccccc1)[C@@H]1CC[C@@H]([NH3+])C1 223105039 344456423 /nfs/dbraw/zinc/45/64/23/344456423.db2.gz VRIFHSBDYBETBC-ZYHUDNBSSA-N 1 0 190.290 2.003 10 0 AEAERO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CCO1 223180298 344458152 /nfs/dbraw/zinc/45/81/52/344458152.db2.gz PIWSDLQGWSZYRT-MNOVXSKESA-N 1 0 197.322 2.334 10 0 AEAERO COCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+] 224490692 344469649 /nfs/dbraw/zinc/46/96/49/344469649.db2.gz AHCIPNBJSXRGAL-MXWKQRLJSA-N 1 0 199.338 2.423 10 0 AEAERO CCC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H]1C 224483302 344469685 /nfs/dbraw/zinc/46/96/85/344469685.db2.gz USOANBNRZRLTMV-VWYCJHECSA-N 1 0 197.322 2.474 10 0 AEAERO COCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH3+] 224490790 344469709 /nfs/dbraw/zinc/46/97/09/344469709.db2.gz AHCIPNBJSXRGAL-AXFHLTTASA-N 1 0 199.338 2.423 10 0 AEAERO CC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C 224710625 344472559 /nfs/dbraw/zinc/47/25/59/344472559.db2.gz MHQYSYOYEHGNRI-KOLCDFICSA-N 1 0 183.295 2.086 10 0 AEAERO CC(C)C[C@@H](C)[N@@H+]1CCCN[C@@H](C)C1 225844290 344489110 /nfs/dbraw/zinc/48/91/10/344489110.db2.gz RMOASKODOWFXOT-NWDGAFQWSA-N 1 0 198.354 2.105 10 0 AEAERO CC[C@H](C(C)C)[N@@H+]1C[C@@H](C)NC[C@@H]1C 225471671 344481652 /nfs/dbraw/zinc/48/16/52/344481652.db2.gz UCFVZAMGWSSSHA-GRYCIOLGSA-N 1 0 198.354 2.103 10 0 AEAERO CC1(C)CCC[N@@H+]1[C@H]1CCC[C@@H](O)C1 225440943 344481659 /nfs/dbraw/zinc/48/16/59/344481659.db2.gz DUKHXNCYDBTTKZ-WDEREUQCSA-N 1 0 197.322 2.164 10 0 AEAERO CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@@H](O)C1 225440904 344481699 /nfs/dbraw/zinc/48/16/99/344481699.db2.gz DUKHXNCYDBTTKZ-GHMZBOCLSA-N 1 0 197.322 2.164 10 0 AEAERO Cc1cc([C@H]([NH3+])[C@H]2CCCOC2)co1 225496346 344482125 /nfs/dbraw/zinc/48/21/25/344482125.db2.gz HGYMHDOYRKZMFA-GXSJLCMTSA-N 1 0 195.262 2.014 10 0 AEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCCOC2)co1 225496319 344482222 /nfs/dbraw/zinc/48/22/22/344482222.db2.gz HGYMHDOYRKZMFA-ONGXEEELSA-N 1 0 195.262 2.014 10 0 AEAERO CCC[C@H]1C[N@@H+](C(C)(C)C)[C@@H](C)CN1 225570384 344483684 /nfs/dbraw/zinc/48/36/84/344483684.db2.gz NRRJGXOLTXDNAE-QWRGUYRKSA-N 1 0 198.354 2.247 10 0 AEAERO C[C@@H]1CCC[C@@H]([C@@](C)(F)C[NH3+])C1 225700277 344484358 /nfs/dbraw/zinc/48/43/58/344484358.db2.gz CGTXDAKYETZZTA-BBBLOLIVSA-N 1 0 173.275 2.500 10 0 AEAERO C[NH2+][C@]1(CO)C[C@H](C)CC[C@@H]1C(C)C 226324378 344499323 /nfs/dbraw/zinc/49/93/23/344499323.db2.gz JHPCPOPIKCEMJV-UTUOFQBUSA-N 1 0 199.338 2.029 10 0 AEAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])Cc1ccc(F)cc1 226333692 344499849 /nfs/dbraw/zinc/49/98/49/344499849.db2.gz JNBLISRYINNTKD-ZHAHWJHGSA-N 1 0 193.265 2.352 10 0 AEAERO CC(C)=CCN1CCC[C@@H](C)[C@@H]1C[NH3+] 226344243 344500330 /nfs/dbraw/zinc/50/03/30/344500330.db2.gz JKXRYBGPGOBSKG-NEPJUHHUSA-N 1 0 196.338 2.012 10 0 AEAERO CC[N@@H+](C1CCC1)C1CC1 226086090 344492169 /nfs/dbraw/zinc/49/21/69/344492169.db2.gz BBDYXHJRRCTJEO-UHFFFAOYSA-N 1 0 139.242 2.023 10 0 AEAERO CC(C)[C@H](O)C[N@@H+]1CCCCC[C@@H]1C 226403182 344501674 /nfs/dbraw/zinc/50/16/74/344501674.db2.gz KTFKRXXOCVBBPG-NWDGAFQWSA-N 1 0 199.338 2.268 10 0 AEAERO CC[C@H](C)[C@@H]1CSC[C@@H](C)[NH2+]1 226418065 344502208 /nfs/dbraw/zinc/50/22/08/344502208.db2.gz CMSWUXBAPKLXKC-YIZRAAEISA-N 1 0 173.325 2.126 10 0 AEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)c1ccsc1 226482735 344504241 /nfs/dbraw/zinc/50/42/41/344504241.db2.gz WMJUDQHDDRLYQY-DTWKUNHWSA-N 1 0 195.287 2.058 10 0 AEAERO CC[C@H](C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] 226474314 344504242 /nfs/dbraw/zinc/50/42/42/344504242.db2.gz HPHBHXFJWAFIBP-AEJSXWLSSA-N 1 0 183.295 2.119 10 0 AEAERO C[C@@]1(C(=O)c2ccsc2)CCC[NH2+]1 226489710 344504618 /nfs/dbraw/zinc/50/46/18/344504618.db2.gz SKWMSWHTJXZRNA-JTQLQIEISA-N 1 0 195.287 2.073 10 0 AEAERO C[C@]1(C(=O)c2cccs2)CCC[NH2+]1 226493036 344504634 /nfs/dbraw/zinc/50/46/34/344504634.db2.gz JXTNSGBBFUPLKD-SNVBAGLBSA-N 1 0 195.287 2.073 10 0 AEAERO C[C@@]1(C(=O)c2cccs2)CCC[NH2+]1 226493031 344504650 /nfs/dbraw/zinc/50/46/50/344504650.db2.gz JXTNSGBBFUPLKD-JTQLQIEISA-N 1 0 195.287 2.073 10 0 AEAERO C[C@]1(C(=O)c2ccsc2)CCC[NH2+]1 226489716 344504675 /nfs/dbraw/zinc/50/46/75/344504675.db2.gz SKWMSWHTJXZRNA-SNVBAGLBSA-N 1 0 195.287 2.073 10 0 AEAERO [NH3+][C@H]1CCC[C@H]1C(=O)c1cccs1 226487858 344504679 /nfs/dbraw/zinc/50/46/79/344504679.db2.gz RSVZWQMUAYQTEH-SFYZADRCSA-N 1 0 195.287 2.058 10 0 AEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)c1cccs1 226487843 344504687 /nfs/dbraw/zinc/50/46/87/344504687.db2.gz RSVZWQMUAYQTEH-JGVFFNPUSA-N 1 0 195.287 2.058 10 0 AEAERO Cc1cc(C(=O)CC(C)(C)[NH3+])cs1 226504627 344505125 /nfs/dbraw/zinc/50/51/25/344505125.db2.gz STIPEPXLQOQBMM-UHFFFAOYSA-N 1 0 197.303 2.367 10 0 AEAERO C[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 226522661 344505611 /nfs/dbraw/zinc/50/56/11/344505611.db2.gz DMPFXDQGCHSOSQ-UTLUCORTSA-N 1 0 153.269 2.175 10 0 AEAERO C[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 226522671 344505669 /nfs/dbraw/zinc/50/56/69/344505669.db2.gz DMPFXDQGCHSOSQ-BBBLOLIVSA-N 1 0 153.269 2.175 10 0 AEAERO CC[C@H](C)[C@@]1(C)C[C@@H]([NH2+]C)CCO1 226567745 344506858 /nfs/dbraw/zinc/50/68/58/344506858.db2.gz YCEJLRFSRJXIAH-GARJFASQSA-N 1 0 185.311 2.190 10 0 AEAERO CC[C@H](C)[C@]1(C)C[C@@H]([NH2+]C)CCO1 226567753 344506948 /nfs/dbraw/zinc/50/69/48/344506948.db2.gz YCEJLRFSRJXIAH-DCAQKATOSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@H]1C[NH2+][C@]2(CCC[C@H]2C)SC1 226588210 344507287 /nfs/dbraw/zinc/50/72/87/344507287.db2.gz PGKIDXBXIGVAFP-OPRDCNLKSA-N 1 0 185.336 2.475 10 0 AEAERO C[C@@H]1CC[C@]2(C1)[NH2+]C[C@@H](C)S2 226584307 344507342 /nfs/dbraw/zinc/50/73/42/344507342.db2.gz DVNISDOIROYYFS-HLTSFMKQSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@H]1C[C@H](C)CC[C@]12[NH2+]CCS2 226581652 344507364 /nfs/dbraw/zinc/50/73/64/344507364.db2.gz PERSNUXDDVTRBT-KXUCPTDWSA-N 1 0 185.336 2.475 10 0 AEAERO C[C@H]1CCC[C@@]12[NH2+]C[C@@H](C)S2 226582623 344507403 /nfs/dbraw/zinc/50/74/03/344507403.db2.gz JHIRXDSPHZXENY-YIZRAAEISA-N 1 0 171.309 2.228 10 0 AEAERO C[C@H]1CC[C@]2(C1)[NH2+]C[C@@H](C)CS2 226590762 344507797 /nfs/dbraw/zinc/50/77/97/344507797.db2.gz OOWNWMJWAXKIJA-AEJSXWLSSA-N 1 0 185.336 2.475 10 0 AEAERO CC[C@@](C)([NH3+])C(=O)c1sccc1C 226662146 344509582 /nfs/dbraw/zinc/50/95/82/344509582.db2.gz UOTOIGCGMKQXJP-SNVBAGLBSA-N 1 0 197.303 2.367 10 0 AEAERO CC[C@](C)(N)C[N@@H+]1C[C@@H](C)CC[C@@H]1C 226694679 344510310 /nfs/dbraw/zinc/51/03/10/344510310.db2.gz LWISEGNHDFAMPG-SRVKXCTJSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@](C)(N)C[NH+]1C[C@H](C)C[C@@H](C)C1 226692828 344510422 /nfs/dbraw/zinc/51/04/22/344510422.db2.gz IZIMRTFZKWVWPG-UTUOFQBUSA-N 1 0 198.354 2.092 10 0 AEAERO C[C@@H]1CCC[C@H]1c1ocnc1C[NH3+] 226770935 344513306 /nfs/dbraw/zinc/51/33/06/344513306.db2.gz CMVYNUMTYFWUNX-HTQZYQBOSA-N 1 0 180.251 2.037 10 0 AEAERO CC1(C)CCC[C@@H]1c1ocnc1C[NH3+] 226770918 344513310 /nfs/dbraw/zinc/51/33/10/344513310.db2.gz AOAYZZUDNNUSQI-MRVPVSSYSA-N 1 0 194.278 2.427 10 0 AEAERO CC[C@H](C)C(=O)[C@]1(C)CCC[C@@H]1[NH3+] 226834671 344515309 /nfs/dbraw/zinc/51/53/09/344515309.db2.gz LHPLBLJAACWMRB-ATZCPNFKSA-N 1 0 183.295 2.119 10 0 AEAERO C[NH2+][C@H]1[C@@H](N(C)C(C)C)CCC1(C)C 226921724 344517463 /nfs/dbraw/zinc/51/74/63/344517463.db2.gz MXVPXMUUHQEDAZ-QWRGUYRKSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@@H]1C[NH2+][C@H]2[C@@H](CCC2(C)C)S1 226952543 344517773 /nfs/dbraw/zinc/51/77/73/344517773.db2.gz CKPTWXSRRHHDOY-HLTSFMKQSA-N 1 0 185.336 2.269 10 0 AEAERO Cc1ccc([C@H]([NH3+])[C@H]2C[C@H]2C)o1 226983696 344518765 /nfs/dbraw/zinc/51/87/65/344518765.db2.gz WABSCUFFWQRXES-KDILMLJESA-N 1 0 165.236 2.244 10 0 AEAERO CC(C)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] 226742784 344511870 /nfs/dbraw/zinc/51/18/70/344511870.db2.gz SVFXRJOLNUZSAZ-NXEZZACHSA-N 1 0 183.295 2.119 10 0 AEAERO C[NH2+][C@@H]1C[C@H]2CCCCC[C@H]21 227349122 344529342 /nfs/dbraw/zinc/52/93/42/344529342.db2.gz ORSSQMRDKNFESI-OPRDCNLKSA-N 1 0 153.269 2.175 10 0 AEAERO CCC[NH2+][C@@H]1C[C@@H]2CCC[C@H]21 227349431 344529346 /nfs/dbraw/zinc/52/93/46/344529346.db2.gz KLJUVJKLSXWRNA-IVZWLZJFSA-N 1 0 153.269 2.175 10 0 AEAERO CC[NH2+][C@@H]1[C@H](C)[C@@H]2CCCC[C@H]21 227351039 344529359 /nfs/dbraw/zinc/52/93/59/344529359.db2.gz OSEKZKVPXHETDD-LMLFDSFASA-N 1 0 167.296 2.421 10 0 AEAERO CC(C)(O)C(C)(C)[NH2+][C@H]1C=CCCC1 227344694 344529362 /nfs/dbraw/zinc/52/93/62/344529362.db2.gz SRSINTXOPDDWLX-JTQLQIEISA-N 1 0 197.322 2.234 10 0 AEAERO C[C@@H]1CC[C@@H]([C@@H]([NH3+])C2CC2)C1 227403668 344530477 /nfs/dbraw/zinc/53/04/77/344530477.db2.gz JMNQXOCLUIJXDG-QNSHHTMESA-N 1 0 153.269 2.160 10 0 AEAERO 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/nfs/dbraw/zinc/67/24/55/325672455.db2.gz FSTKYPRZOTYYKK-IJLUTSLNSA-N 1 0 197.322 2.177 10 0 AEAERO CC(C)[C@@H]1CC[C@@H]2OCC[C@@]2(C[NH3+])C1 536958125 325672580 /nfs/dbraw/zinc/67/25/80/325672580.db2.gz FSTKYPRZOTYYKK-WOPDTQHZSA-N 1 0 197.322 2.177 10 0 AEAERO Cc1cc2scc(C)[n+]2cc1C 386976 342935682 /nfs/dbraw/zinc/93/56/82/342935682.db2.gz PNYPSVIILZOYIQ-UHFFFAOYSA-N 1 0 178.280 2.412 10 0 AEAERO Fc1ccc(NC2=NCCS2)cc1 968555 342942700 /nfs/dbraw/zinc/94/27/00/342942700.db2.gz ZAJZVJOARFAWFX-UHFFFAOYSA-N 1 0 196.250 2.340 10 0 AEAERO Cc1ccc(C[C@H]2C=CC[NH2+]2)cc1 1574593 342948519 /nfs/dbraw/zinc/94/85/19/342948519.db2.gz JBLAGNAQRKENBV-GFCCVEGCSA-N 1 0 173.259 2.066 10 0 AEAERO Cc1nccc2cccc(C[NH3+])c12 1613666 342952277 /nfs/dbraw/zinc/95/22/77/342952277.db2.gz RPINQEFQTOZHEQ-UHFFFAOYSA-N 1 0 172.231 2.002 10 0 AEAERO CC[C@@H]1CO[C@H](c2ccccc2)C[NH2+]1 1656359 342954765 /nfs/dbraw/zinc/95/47/65/342954765.db2.gz VKCOXHBUQIUVSF-NEPJUHHUSA-N 1 0 191.274 2.126 10 0 AEAERO CC[C@H]1CO[C@@H](c2ccccc2)C[NH2+]1 1656356 342954834 /nfs/dbraw/zinc/95/48/34/342954834.db2.gz VKCOXHBUQIUVSF-NWDGAFQWSA-N 1 0 191.274 2.126 10 0 AEAERO CCCCOCN1CCCCC1 1669637 342955927 /nfs/dbraw/zinc/95/59/27/342955927.db2.gz IHVXBLLYUDTMIL-UHFFFAOYSA-N 1 0 171.284 2.247 10 0 AEAERO CC1C[NH+](Cc2ccccc2)C1 1683041 342958052 /nfs/dbraw/zinc/95/80/52/342958052.db2.gz ZIWCHAZURPWYCB-UHFFFAOYSA-N 1 0 161.248 2.138 10 0 AEAERO CCc1oc2ccccc2c1C[NH3+] 2013909 342966453 /nfs/dbraw/zinc/96/64/53/342966453.db2.gz VVSUCVZKZJDFRK-UHFFFAOYSA-N 1 0 175.231 2.454 10 0 AEAERO CC(C)[C@H]([NH3+])Cc1ccccc1 2541793 342975929 /nfs/dbraw/zinc/97/59/29/342975929.db2.gz AKXXBEHEYPLJPX-LLVKDONJSA-N 1 0 163.264 2.212 10 0 AEAERO CCCC[NH2+]C(C)(C)C 2564827 342977270 /nfs/dbraw/zinc/97/72/70/342977270.db2.gz VACPZDQXUAOTFR-UHFFFAOYSA-N 1 0 129.247 2.175 10 0 AEAERO CCCCC[C@H]1[NH2+]CCS1 3599046 342982270 /nfs/dbraw/zinc/98/22/70/342982270.db2.gz MOVBGBMWKHJQKI-QMMMGPOBSA-N 1 0 159.298 2.229 10 0 endogenous,in-man AEAERO CCCCC[C@@H]1[NH2+]CCS1 3599047 342982389 /nfs/dbraw/zinc/98/23/89/342982389.db2.gz MOVBGBMWKHJQKI-MRVPVSSYSA-N 1 0 159.298 2.229 10 0 endogenous,in-man AEAERO CC1(C)[NH2+]CCO[C@H]1c1ccccc1 3640746 342983153 /nfs/dbraw/zinc/98/31/53/342983153.db2.gz GAWYXLVYEOEEEN-NSHDSACASA-N 1 0 191.274 2.126 10 0 AEAERO C[C@H]1C[NH2+][C@H](c2ccc(O)cc2)C1 3704294 342983718 /nfs/dbraw/zinc/98/37/18/342983718.db2.gz MLWGOGCRBNOFBE-KCJUWKMLSA-N 1 0 177.247 2.063 10 0 AEAERO C[C@H]([NH3+])c1nc2c(s1)CCCCC2 3708712 342983731 /nfs/dbraw/zinc/98/37/31/342983731.db2.gz YDMCERABGNXVGB-ZETCQYMHSA-N 1 0 196.319 2.432 10 0 AEAERO Cc1cccnc1[C@H]1C[C@@H](C)C[NH2+]1 3705224 342983746 /nfs/dbraw/zinc/98/37/46/342983746.db2.gz OKSLZEZNPNGHNT-PSASIEDQSA-N 1 0 176.263 2.061 10 0 AEAERO C[C@H]1C[NH2+][C@@H](c2ccc(O)cc2)C1 3704296 342983748 /nfs/dbraw/zinc/98/37/48/342983748.db2.gz MLWGOGCRBNOFBE-LDYMZIIASA-N 1 0 177.247 2.063 10 0 AEAERO CCc1ccc([C@H](C)[NH3+])s1 3705312 342983767 /nfs/dbraw/zinc/98/37/67/342983767.db2.gz NVLXLVBLOGJYJU-LURJTMIESA-N 1 0 155.266 2.330 10 0 AEAERO CC(C)c1csc([C@@H](C)[NH3+])n1 3709134 342983798 /nfs/dbraw/zinc/98/37/98/342983798.db2.gz BUHYADLPRZITDS-ZCFIWIBFSA-N 1 0 170.281 2.286 10 0 AEAERO C[C@H]1C[NH2+][C@@H](c2cccc(O)c2)C1 3704292 342983812 /nfs/dbraw/zinc/98/38/12/342983812.db2.gz DNNDFUKWLPGFNM-LDYMZIIASA-N 1 0 177.247 2.063 10 0 AEAERO CC[C@H]1CC[NH2+][C@H]1C1CCC1 3733512 342984024 /nfs/dbraw/zinc/98/40/24/342984024.db2.gz WCWGVINDIZPBFH-WCBMZHEXSA-N 1 0 153.269 2.175 10 0 AEAERO Cc1ccsc1[C@@H]1CCC[NH2+]1 3732468 342984051 /nfs/dbraw/zinc/98/40/51/342984051.db2.gz DELBJMKISXIWMP-QMMMGPOBSA-N 1 0 167.277 2.481 10 0 AEAERO Cc1ccsc1[C@H]1CCC[NH2+]1 3732467 342984084 /nfs/dbraw/zinc/98/40/84/342984084.db2.gz DELBJMKISXIWMP-MRVPVSSYSA-N 1 0 167.277 2.481 10 0 AEAERO C[C@H]1CC[NH2+][C@@H]1c1ccc(F)cc1 3733580 342984088 /nfs/dbraw/zinc/98/40/88/342984088.db2.gz QGZKNOIZEORCFG-KWQFWETISA-N 1 0 179.238 2.496 10 0 AEAERO CC[C@H]1CC[NH2+][C@@H]1C(C)C 3733088 342984093 /nfs/dbraw/zinc/98/40/93/342984093.db2.gz ZXWQXYVPKKEWAE-DTWKUNHWSA-N 1 0 141.258 2.031 10 0 AEAERO CC[C@H]1CC[NH2+][C@@H]1C1CCC1 3733514 342984097 /nfs/dbraw/zinc/98/40/97/342984097.db2.gz WCWGVINDIZPBFH-WPRPVWTQSA-N 1 0 153.269 2.175 10 0 AEAERO CC[C@@H]1CC[NH2+][C@@H]1C(C)C 3733089 342984111 /nfs/dbraw/zinc/98/41/11/342984111.db2.gz ZXWQXYVPKKEWAE-RKDXNWHRSA-N 1 0 141.258 2.031 10 0 AEAERO CC[C@@H]1CC[NH2+][C@H]1C(C)C 3733087 342984119 /nfs/dbraw/zinc/98/41/19/342984119.db2.gz ZXWQXYVPKKEWAE-BDAKNGLRSA-N 1 0 141.258 2.031 10 0 AEAERO Cc1csc([C@H]2CCC[NH2+]2)c1 3732488 342984129 /nfs/dbraw/zinc/98/41/29/342984129.db2.gz XMFQQZAUFQWXEB-MRVPVSSYSA-N 1 0 167.277 2.481 10 0 AEAERO CC[C@H]1CC[NH2+][C@H]1C(C)C 3733086 342984134 /nfs/dbraw/zinc/98/41/34/342984134.db2.gz ZXWQXYVPKKEWAE-IUCAKERBSA-N 1 0 141.258 2.031 10 0 AEAERO CC[C@H]1CC[NH2+][C@@H]1CC(C)C 3733080 342984150 /nfs/dbraw/zinc/98/41/50/342984150.db2.gz GWDRLAPFRMMMCM-VHSXEESVSA-N 1 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/nfs/dbraw/zinc/98/44/50/342984450.db2.gz BSPMBKWQHPHQLU-WPRPVWTQSA-N 1 0 155.285 2.421 10 0 AEAERO C[NH2+]CC1(C)Cc2ccccc2C1 3804747 342984890 /nfs/dbraw/zinc/98/48/90/342984890.db2.gz ZOEBFMSBVJAJRK-UHFFFAOYSA-N 1 0 175.275 2.011 10 0 AEAERO Cc1c(C)n(CC[NH3+])c2ccccc12 3888711 342986155 /nfs/dbraw/zinc/98/61/55/342986155.db2.gz LIODACQLLRRNBZ-UHFFFAOYSA-N 1 0 188.274 2.217 10 0 AEAERO C[C@H]1CCC[C@@H]([N@@H+]2CCC[C@H](O)C2)C1 4022960 342986547 /nfs/dbraw/zinc/98/65/47/342986547.db2.gz WFKFPZONMAFEJT-TUAOUCFPSA-N 1 0 197.322 2.022 10 0 AEAERO CC(C)[NH2+]C(C)(C)C(C)C 3963009 342986739 /nfs/dbraw/zinc/98/67/39/342986739.db2.gz RGWFHCMKBAMWDX-UHFFFAOYSA-N 1 0 143.274 2.419 10 0 AEAERO Cc1cc(C)n(CCCCCC[NH3+])n1 4226787 342988885 /nfs/dbraw/zinc/98/88/85/342988885.db2.gz DFVGUMWYBVQCGN-UHFFFAOYSA-N 1 0 195.310 2.019 10 0 AEAERO Cc1cc(OCC[NH3+])ccc1C(C)C 4227447 342988993 /nfs/dbraw/zinc/98/89/93/342988993.db2.gz XGDKIIOITYDQOS-UHFFFAOYSA-N 1 0 193.290 2.456 10 0 AEAERO CCCCn1ccnc1C[NH2+]C(C)C 4243945 342989515 /nfs/dbraw/zinc/98/95/15/342989515.db2.gz CYOFDGSQELYGSC-UHFFFAOYSA-N 1 0 195.310 2.181 10 0 AEAERO C[N@@H+]1CC[C@]2(Cl)CCCC[C@@H]2C1 4368297 342991227 /nfs/dbraw/zinc/99/12/27/342991227.db2.gz MRYUFOZJDFEZKI-NXEZZACHSA-N 1 0 187.714 2.490 10 0 AEAERO C[C@H]1C[C@@H]2[C@H](C[C@@H]1[NH3+])C2(C)C 5211802 342999900 /nfs/dbraw/zinc/99/99/00/342999900.db2.gz AVQZPURJDYTLAM-KZVJFYERSA-N 1 0 153.269 2.016 10 0 AEAERO [NH3+]C1([C@@H]2CCCC[C@H]2O)CCCCC1 5374478 343001512 /nfs/dbraw/zinc/00/15/12/343001512.db2.gz WIHSSCAGAHUBMO-GHMZBOCLSA-N 1 0 197.322 2.199 10 0 AEAERO C[C@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 5369547 343001716 /nfs/dbraw/zinc/00/17/16/343001716.db2.gz ROZZTFNAIYMQEK-IVZWLZJFSA-N 1 0 153.269 2.175 10 0 AEAERO C[C@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 5369548 343001723 /nfs/dbraw/zinc/00/17/23/343001723.db2.gz ROZZTFNAIYMQEK-AEJSXWLSSA-N 1 0 153.269 2.175 10 0 AEAERO [NH3+]C1([C@@H]2CCCC[C@@H]2O)CCCCC1 5374461 343001737 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Cc1ccc(C)c(-c2c[nH]c(N)[nH+]2)c1 5905298 343009582 /nfs/dbraw/zinc/00/95/82/343009582.db2.gz DUFIMZRYDYAPRJ-UHFFFAOYSA-N 1 0 187.246 2.276 10 0 AEAERO C[N@H+]1CC=C(c2cccc(O)c2)CC1 5966279 343010728 /nfs/dbraw/zinc/01/07/28/343010728.db2.gz QNIPNOMEHDJBAL-UHFFFAOYSA-N 1 0 189.258 2.111 10 0 AEAERO C[N@H+]1CC=C(c2cccs2)CC1 5966298 343010797 /nfs/dbraw/zinc/01/07/97/343010797.db2.gz DOJTZGGAMMSDRP-UHFFFAOYSA-N 1 0 179.288 2.467 10 0 AEAERO C[N@H+]1CC=C(Cc2ccccc2)CC1 5966259 343010978 /nfs/dbraw/zinc/01/09/78/343010978.db2.gz ARYZGNSJMRABMB-UHFFFAOYSA-N 1 0 187.286 2.491 10 0 AEAERO C[C@]1(Cc2ccccc2)[NH2+]CCS1 6032168 343011597 /nfs/dbraw/zinc/01/15/97/343011597.db2.gz XFDASTCBLDRQCF-NSHDSACASA-N 1 0 193.315 2.282 10 0 AEAERO Cc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)n1 6044831 343011753 /nfs/dbraw/zinc/01/17/53/343011753.db2.gz NCLBYXLAZQHJNM-KCJUWKMLSA-N 1 0 176.263 2.061 10 0 AEAERO Cc1ccc(C[NH+](C)C)cc1 6070857 343012347 /nfs/dbraw/zinc/01/23/47/343012347.db2.gz JAOPKYRWYXCGOQ-UHFFFAOYSA-N 1 0 149.237 2.057 10 0 AEAERO CCc1ccc([C@H]2C[C@H](C)C[NH2+]2)nc1 6351126 343013481 /nfs/dbraw/zinc/01/34/81/343013481.db2.gz BENFGOOFVKSYJD-JOYOIKCWSA-N 1 0 190.290 2.315 10 0 AEAERO CC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 6247068 343013487 /nfs/dbraw/zinc/01/34/87/343013487.db2.gz JMDARRUVLAYVDC-KOLCDFICSA-N 1 0 176.263 2.142 10 0 AEAERO CC[C@H]1CC[NH2+][C@@H]1c1cccnc1 6247096 343013508 /nfs/dbraw/zinc/01/35/08/343013508.db2.gz JMDARRUVLAYVDC-ONGXEEELSA-N 1 0 176.263 2.142 10 0 AEAERO CC[C@H](C)[C@@H]1[NH2+]CC[C@H]1CC 6358091 343013557 /nfs/dbraw/zinc/01/35/57/343013557.db2.gz MVZWERMZDLCOSN-AEJSXWLSSA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@H](C)[C@H]1[NH2+]CC[C@H]1CC 6358075 343013736 /nfs/dbraw/zinc/01/37/36/343013736.db2.gz MVZWERMZDLCOSN-IVZWLZJFSA-N 1 0 155.285 2.421 10 0 AEAERO CCc1ccc([C@@H]2C[C@H](C)C[NH2+]2)nc1 6351103 343013832 /nfs/dbraw/zinc/01/38/32/343013832.db2.gz BENFGOOFVKSYJD-CABZTGNLSA-N 1 0 190.290 2.315 10 0 AEAERO CCc1ccc([C@H]2C[C@@H](C)C[NH2+]2)nc1 6351127 343013849 /nfs/dbraw/zinc/01/38/49/343013849.db2.gz BENFGOOFVKSYJD-BXKDBHETSA-N 1 0 190.290 2.315 10 0 AEAERO CCc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)nc1 6351106 343013864 /nfs/dbraw/zinc/01/38/64/343013864.db2.gz BENFGOOFVKSYJD-SKDRFNHKSA-N 1 0 190.290 2.315 10 0 AEAERO C[C@H]([NH3+])[C@H](F)c1ccccc1 6487408 343014815 /nfs/dbraw/zinc/01/48/15/343014815.db2.gz PPZYDZIZQRVGPE-CBAPKCEASA-N 1 0 153.200 2.044 10 0 AEAERO Cc1cnccc1[C@H]1C[C@@H](C)C[NH2+]1 6614874 343015613 /nfs/dbraw/zinc/01/56/13/343015613.db2.gz UEPNQQXTKRMOMZ-LDYMZIIASA-N 1 0 176.263 2.061 10 0 AEAERO Cc1cnccc1[C@H]1C[C@H](C)C[NH2+]1 6614872 343015621 /nfs/dbraw/zinc/01/56/21/343015621.db2.gz UEPNQQXTKRMOMZ-GZMMTYOYSA-N 1 0 176.263 2.061 10 0 AEAERO Cc1ccc([S@@](C)=[NH2+])cc1 8318835 343018087 /nfs/dbraw/zinc/01/80/87/343018087.db2.gz RZSJGLNEFQJZBP-JTQLQIEISA-N 1 0 153.250 2.364 10 0 AEAERO CC(C)Cc1ccc(C[NH3+])cc1 9245903 343021080 /nfs/dbraw/zinc/02/10/80/343021080.db2.gz KKOAKBQTSJLRFC-UHFFFAOYSA-N 1 0 163.264 2.344 10 0 AEAERO CCn1c(C[NH3+])cc2ccccc21 9311774 343021625 /nfs/dbraw/zinc/02/16/25/343021625.db2.gz FTYMOLYZMYGVPO-UHFFFAOYSA-N 1 0 174.247 2.120 10 0 AEAERO Cc1ccc(C)c(OCCC[NH3+])c1 11569595 343022617 /nfs/dbraw/zinc/02/26/17/343022617.db2.gz JSCLPMRRUUEULX-UHFFFAOYSA-N 1 0 179.263 2.031 10 0 AEAERO CCc1ccc2c(c1)C[NH2+][C@H](C)C2 11597041 343022868 /nfs/dbraw/zinc/02/28/68/343022868.db2.gz KNZQQRSOCQFJSL-SECBINFHSA-N 1 0 175.275 2.283 10 0 AEAERO Cc1ccc2c(c1)C[C@@H](C)[NH2+]C2 11597032 343022970 /nfs/dbraw/zinc/02/29/70/343022970.db2.gz ALLPRVVGAJZNQT-SECBINFHSA-N 1 0 161.248 2.029 10 0 AEAERO CCc1ccc2c(c1)C[NH2+][C@@H](C)C2 11597043 343022975 /nfs/dbraw/zinc/02/29/75/343022975.db2.gz KNZQQRSOCQFJSL-VIFPVBQESA-N 1 0 175.275 2.283 10 0 AEAERO CCc1ccc2c(c1)[C@@H](C)[NH2+]CC2 11597800 343022977 /nfs/dbraw/zinc/02/29/77/343022977.db2.gz NBWJPURMQQNZLI-SECBINFHSA-N 1 0 175.275 2.456 10 0 AEAERO CC(C)[C@H]([NH3+])c1nc2c(s1)CCC2 11631794 343023361 /nfs/dbraw/zinc/02/33/61/343023361.db2.gz PXVMMDIRHNLITA-VIFPVBQESA-N 1 0 196.319 2.288 10 0 AEAERO Cc1nc([C@H]([NH3+])C(C)C)sc1C 11631783 343023414 /nfs/dbraw/zinc/02/34/14/343023414.db2.gz NGVTZCNYPIJZFJ-MRVPVSSYSA-N 1 0 184.308 2.416 10 0 AEAERO CC[C@@H]([NH3+])c1nc2c(s1)CCC2 11631731 343023468 /nfs/dbraw/zinc/02/34/68/343023468.db2.gz PZYOYDYCCGKDPJ-ZCFIWIBFSA-N 1 0 182.292 2.042 10 0 AEAERO CC[C@H]([NH3+])c1nc2c(s1)CCCC2 11631734 343023507 /nfs/dbraw/zinc/02/35/07/343023507.db2.gz LDPCYQSANSTYIO-ZETCQYMHSA-N 1 0 196.319 2.432 10 0 AEAERO CCc1csc([C@@H]([NH3+])CC)n1 11631724 343023587 /nfs/dbraw/zinc/02/35/87/343023587.db2.gz DTVSACIKYAUVJC-ZETCQYMHSA-N 1 0 170.281 2.115 10 0 AEAERO Cc1nc([C@@H]([NH3+])C(C)C)sc1C 11631784 343023593 /nfs/dbraw/zinc/02/35/93/343023593.db2.gz NGVTZCNYPIJZFJ-QMMMGPOBSA-N 1 0 184.308 2.416 10 0 AEAERO CC(C)c1ncc([C@H](C)[NH3+])s1 11760660 343024534 /nfs/dbraw/zinc/02/45/34/343024534.db2.gz VMGPMHCSBLBEJW-LURJTMIESA-N 1 0 170.281 2.286 10 0 AEAERO Cc1cccc([C@@H]([NH3+])c2ccc[nH]2)c1 11822608 343024988 /nfs/dbraw/zinc/02/49/88/343024988.db2.gz FRIOKQTYPBBGSL-GFCCVEGCSA-N 1 0 186.258 2.371 10 0 AEAERO CC1(C)C[NH2+]C[C@@H](c2cccs2)O1 11803088 343025017 /nfs/dbraw/zinc/02/50/17/343025017.db2.gz HPCQFPXHPUZERM-QMMMGPOBSA-N 1 0 197.303 2.188 10 0 AEAERO CC1(C)C[NH2+]C[C@H](c2cccs2)O1 11803090 343025123 /nfs/dbraw/zinc/02/51/23/343025123.db2.gz HPCQFPXHPUZERM-MRVPVSSYSA-N 1 0 197.303 2.188 10 0 AEAERO Cc1ccc([C@H]([NH3+])c2ccc[nH]2)cc1 11822708 343025136 /nfs/dbraw/zinc/02/51/36/343025136.db2.gz DNRBDLQMQQZOCN-LBPRGKRZSA-N 1 0 186.258 2.371 10 0 AEAERO Cc1cccc([C@H]([NH3+])c2ccc[nH]2)c1 11822610 343025140 /nfs/dbraw/zinc/02/51/40/343025140.db2.gz FRIOKQTYPBBGSL-LBPRGKRZSA-N 1 0 186.258 2.371 10 0 AEAERO Cc1ccc([C@@H]([NH3+])c2ccc[nH]2)cc1 11822703 343025163 /nfs/dbraw/zinc/02/51/63/343025163.db2.gz DNRBDLQMQQZOCN-GFCCVEGCSA-N 1 0 186.258 2.371 10 0 AEAERO Cc1cc2c(cc1Cl)[C@@H]([NH3+])CCO2 11849019 343025394 /nfs/dbraw/zinc/02/53/94/343025394.db2.gz SYGAGOVSBFCPGX-VIFPVBQESA-N 1 0 197.665 2.431 10 0 AEAERO Cc1cc(OC[C@@H](C)[NH3+])ccc1Cl 11849667 343025407 /nfs/dbraw/zinc/02/54/07/343025407.db2.gz MLINEWBHMPXTCI-MRVPVSSYSA-N 1 0 199.681 2.374 10 0 AEAERO Cc1cc(OC[C@H](C)[NH3+])ccc1Cl 11849668 343025660 /nfs/dbraw/zinc/02/56/60/343025660.db2.gz MLINEWBHMPXTCI-QMMMGPOBSA-N 1 0 199.681 2.374 10 0 AEAERO Cc1ccc(OC[C@H](C)[NH3+])c(C)c1 11849662 343025701 /nfs/dbraw/zinc/02/57/01/343025701.db2.gz CEUODTQHTDWQSN-JTQLQIEISA-N 1 0 179.263 2.029 10 0 in-vitro AEAERO Cc1cc2c(cc1Cl)[C@H]([NH3+])CCO2 11849018 343025722 /nfs/dbraw/zinc/02/57/22/343025722.db2.gz SYGAGOVSBFCPGX-SECBINFHSA-N 1 0 197.665 2.431 10 0 AEAERO Cc1nc(CC(C)(C)[NH3+])sc1C 11883784 343025917 /nfs/dbraw/zinc/02/59/17/343025917.db2.gz OTYZLJNTLOICEZ-UHFFFAOYSA-N 1 0 184.308 2.040 10 0 AEAERO C[C@H](C[NH3+])c1nc2c(s1)CCCC2 11883543 343025934 /nfs/dbraw/zinc/02/59/34/343025934.db2.gz DNIGRADQABFDFL-SSDOTTSWSA-N 1 0 196.319 2.084 10 0 AEAERO C[C@H]1C[C@@]1([NH3+])c1ccccc1F 11886194 343025946 /nfs/dbraw/zinc/02/59/46/343025946.db2.gz VVZSOIAUIWWFRI-XVKPBYJWSA-N 1 0 165.211 2.020 10 0 AEAERO C[C@H]1C[C@]1(C[NH3+])c1ccccc1F 11885890 343025978 /nfs/dbraw/zinc/02/59/78/343025978.db2.gz VQJRARWGGNYGDF-GZMMTYOYSA-N 1 0 179.238 2.062 10 0 AEAERO C[C@H]([NH3+])c1nc(-c2ccco2)cs1 11886652 343026087 /nfs/dbraw/zinc/02/60/87/343026087.db2.gz JHGDJZLHIDPEQG-LURJTMIESA-N 1 0 194.259 2.423 10 0 AEAERO C[C@H]1C[C@]1(C[NH3+])c1ccc(F)cc1 11885448 343026106 /nfs/dbraw/zinc/02/61/06/343026106.db2.gz YFIXMYDJPXTCSF-GZMMTYOYSA-N 1 0 179.238 2.062 10 0 AEAERO C[C@H]([NH3+])Cc1nc(C(C)(C)C)cs1 11883661 343026125 /nfs/dbraw/zinc/02/61/25/343026125.db2.gz PDFQAEKAUSHUEP-ZETCQYMHSA-N 1 0 198.335 2.330 10 0 AEAERO C[C@H]1C[C@]1([NH3+])c1ccccc1F 11886199 343026144 /nfs/dbraw/zinc/02/61/44/343026144.db2.gz VVZSOIAUIWWFRI-OIBJUYFYSA-N 1 0 165.211 2.020 10 0 AEAERO CCc1nc([C@@H](C)[NH3+])sc1C 11887353 343026170 /nfs/dbraw/zinc/02/61/70/343026170.db2.gz KORQMGKCKVJCQR-RXMQYKEDSA-N 1 0 170.281 2.034 10 0 AEAERO CC(C)c1csc([C@@H](C)C[NH3+])n1 11883524 343026208 /nfs/dbraw/zinc/02/62/08/343026208.db2.gz ZXHPACZRONVXIY-ZETCQYMHSA-N 1 0 184.308 2.329 10 0 AEAERO CC(C)c1csc([C@H](C)C[NH3+])n1 11883527 343026245 /nfs/dbraw/zinc/02/62/45/343026245.db2.gz ZXHPACZRONVXIY-SSDOTTSWSA-N 1 0 184.308 2.329 10 0 AEAERO Cc1cc(C)cc(O[C@@H](C)C[NH3+])c1 11946053 343026979 /nfs/dbraw/zinc/02/69/79/343026979.db2.gz ACFRZPLMCBBNBC-JTQLQIEISA-N 1 0 179.263 2.029 10 0 AEAERO Cc1ccc(O[C@@H](C)C[NH3+])c(C)c1 11946096 343027064 /nfs/dbraw/zinc/02/70/64/343027064.db2.gz SYOVHCBTRVWSGW-JTQLQIEISA-N 1 0 179.263 2.029 10 0 AEAERO Cc1cc(C)c(C)c(O[C@H](C)C[NH3+])c1 11946143 343027138 /nfs/dbraw/zinc/02/71/38/343027138.db2.gz UEVUFSMQHSXOEE-SNVBAGLBSA-N 1 0 193.290 2.338 10 0 AEAERO Cc1ccc(C)c(O[C@H](C)C[NH3+])c1C 11946161 343027337 /nfs/dbraw/zinc/02/73/37/343027337.db2.gz BPYBESCIAQSTTP-SNVBAGLBSA-N 1 0 193.290 2.338 10 0 AEAERO Cc1ccc(C)c(O[C@@H](C)C[NH3+])c1 11946075 343027342 /nfs/dbraw/zinc/02/73/42/343027342.db2.gz VWIVKSFXRKVSDK-JTQLQIEISA-N 1 0 179.263 2.029 10 0 AEAERO Cc1cc(C)c(C)c(O[C@@H](C)C[NH3+])c1 11946139 343027350 /nfs/dbraw/zinc/02/73/50/343027350.db2.gz UEVUFSMQHSXOEE-JTQLQIEISA-N 1 0 193.290 2.338 10 0 AEAERO Cc1ccc(O[C@H](C)C[NH3+])c(C)c1 11946103 343027361 /nfs/dbraw/zinc/02/73/61/343027361.db2.gz SYOVHCBTRVWSGW-SNVBAGLBSA-N 1 0 179.263 2.029 10 0 AEAERO Cc1ccc(C)c(O[C@@H](C)C[NH3+])c1C 11946156 343027364 /nfs/dbraw/zinc/02/73/64/343027364.db2.gz BPYBESCIAQSTTP-JTQLQIEISA-N 1 0 193.290 2.338 10 0 AEAERO Cc1cccc(C)c1O[C@@H](C)C[NH3+] 11946063 343027381 /nfs/dbraw/zinc/02/73/81/343027381.db2.gz ILXUQFOWTYCVEK-JTQLQIEISA-N 1 0 179.263 2.029 10 0 AEAERO CCC[N@@H+]1CCC[C@H]1C1CC1 17977679 343047473 /nfs/dbraw/zinc/04/74/73/343047473.db2.gz AGFYDFXOGKGPBU-JTQLQIEISA-N 1 0 153.269 2.271 10 0 AEAERO CCC[N@@H+]1CCC[C@@H]1C1CC1 17977678 343047479 /nfs/dbraw/zinc/04/74/79/343047479.db2.gz AGFYDFXOGKGPBU-SNVBAGLBSA-N 1 0 153.269 2.271 10 0 AEAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH3+] 13464198 343035371 /nfs/dbraw/zinc/03/53/71/343035371.db2.gz RBMUAGDCCJDQLE-GUBZILKMSA-N 1 0 155.285 2.406 10 0 AEAERO C[N@@H+]1CCC[C@H](c2cccc(O)c2)C1 13651748 343036774 /nfs/dbraw/zinc/03/67/74/343036774.db2.gz DKJJTEBJFLYIIS-NSHDSACASA-N 1 0 191.274 2.201 10 0 AEAERO C[C@H](C1CC[NH2+]CC1)C1CC1 17764320 343047490 /nfs/dbraw/zinc/04/74/90/343047490.db2.gz JLDDHMKQZWWHPK-QMMMGPOBSA-N 1 0 153.269 2.032 10 0 AEAERO C[N@@H+]1CCC[C@@H](c2cccc(O)c2)C1 13651749 343036841 /nfs/dbraw/zinc/03/68/41/343036841.db2.gz DKJJTEBJFLYIIS-LLVKDONJSA-N 1 0 191.274 2.201 10 0 AEAERO CC(=[NH2+])Nc1cccc(N(C)C)c1 13780442 343037303 /nfs/dbraw/zinc/03/73/03/343037303.db2.gz RFGFPDRDBDDLTR-UHFFFAOYSA-N 1 0 177.251 2.162 10 0 AEAERO C[C@H]([NH3+])Cc1ccc2c(c1)CCCC2 13834039 343037730 /nfs/dbraw/zinc/03/77/30/343037730.db2.gz UTVKUFYOPJCDPE-JTQLQIEISA-N 1 0 189.302 2.455 10 0 AEAERO [NH3+]C[C@H]1Cc2ccc3ccccc3c2O1 14210150 343038414 /nfs/dbraw/zinc/03/84/14/343038414.db2.gz RKQXJKNFSLHKNZ-LLVKDONJSA-N 1 0 199.253 2.102 10 0 AEAERO [NH3+]C[C@@H]1Cc2ccc3ccccc3c2O1 13981829 343038431 /nfs/dbraw/zinc/03/84/31/343038431.db2.gz RKQXJKNFSLHKNZ-NSHDSACASA-N 1 0 199.253 2.102 10 0 AEAERO CCC[NH2+]CCC(C)C 14590813 343039486 /nfs/dbraw/zinc/03/94/86/343039486.db2.gz NCBKRBDUPKCJEH-UHFFFAOYSA-N 1 0 129.247 2.032 10 0 AEAERO C[C@H]1C[C@H](C)[N@H+]2CCC[C@@H]2C1 14616407 343039586 /nfs/dbraw/zinc/03/95/86/343039586.db2.gz UMRIPHXQBKNPEB-LPEHRKFASA-N 1 0 153.269 2.269 10 0 AEAERO C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 15767796 343042589 /nfs/dbraw/zinc/04/25/89/343042589.db2.gz VZEGBIWAIFLVJH-UWVGGRQHSA-N 1 0 153.269 2.271 10 0 AEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCO 16954240 343045253 /nfs/dbraw/zinc/04/52/53/343045253.db2.gz UEOWJXFTQUIPJC-WOPDTQHZSA-N 1 0 199.338 2.029 10 0 AEAERO C[NH2+]CC(C)(C)CC(F)(F)F 17402206 343046893 /nfs/dbraw/zinc/04/68/93/343046893.db2.gz WIIKTGPPNUJLDN-UHFFFAOYSA-N 1 0 169.190 2.184 10 0 AEAERO C[C@@H](C1CC[NH2+]CC1)C1CC1 17764317 343047318 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/nfs/dbraw/zinc/19/81/07/343198107.db2.gz MJHCTOFBWVYXSV-YUMQZZPRSA-N 1 0 123.199 2.020 10 0 AEAERO Cc1ccc([C@H]2CC[NH2+]2)s1 39090977 343198130 /nfs/dbraw/zinc/19/81/30/343198130.db2.gz MQPOABPTAWKCLG-SSDOTTSWSA-N 1 0 153.250 2.091 10 0 AEAERO CC1=[NH+][C@H]2CCC[C@@H]2C1 39094663 343198214 /nfs/dbraw/zinc/19/82/14/343198214.db2.gz MJHCTOFBWVYXSV-SFYZADRCSA-N 1 0 123.199 2.020 10 0 AEAERO CC1=C[C@H](C(C)(C)C)[NH2+]C=C1 39090866 343198225 /nfs/dbraw/zinc/19/82/25/343198225.db2.gz FIPXIZNIDUUAPB-SECBINFHSA-N 1 0 151.253 2.464 10 0 AEAERO CCC1=[NH+]CCC[C@H]1C 39095879 343198421 /nfs/dbraw/zinc/19/84/21/343198421.db2.gz SUZDQUFJXSJKGZ-SSDOTTSWSA-N 1 0 125.215 2.267 10 0 AEAERO CC(C)[C@H]1C[NH2+]CCC1(C)C 39103322 343198468 /nfs/dbraw/zinc/19/84/68/343198468.db2.gz CRKQJURVEGDILJ-SECBINFHSA-N 1 0 155.285 2.278 10 0 AEAERO CC(C)[C@@H]1C[NH2+]CCC1(C)C 39103321 343198557 /nfs/dbraw/zinc/19/85/57/343198557.db2.gz CRKQJURVEGDILJ-VIFPVBQESA-N 1 0 155.285 2.278 10 0 AEAERO CC[C@]1(C(C)C)[NH2+]CCS1 39103662 343198906 /nfs/dbraw/zinc/19/89/06/343198906.db2.gz CHLYBDIGWAKMCJ-QMMMGPOBSA-N 1 0 159.298 2.085 10 0 AEAERO CC(C)[C@@H]1Cc2ccccc2C[NH2+]1 39104846 343199230 /nfs/dbraw/zinc/19/92/30/343199230.db2.gz ANNVARGEHOMQSP-LBPRGKRZSA-N 1 0 175.275 2.357 10 0 AEAERO CC(C)c1scc2c1C[NH2+]C2 39104182 343199305 /nfs/dbraw/zinc/19/93/05/343199305.db2.gz AEYCEJYWFWOKIT-UHFFFAOYSA-N 1 0 167.277 2.475 10 0 AEAERO CC(C)[C@H]1Cc2ccccc2C[NH2+]1 39104847 343199326 /nfs/dbraw/zinc/19/93/26/343199326.db2.gz ANNVARGEHOMQSP-GFCCVEGCSA-N 1 0 175.275 2.357 10 0 AEAERO Cc1cccc2c1cc1n2CC[NH2+]C1 39115156 343201001 /nfs/dbraw/zinc/20/10/01/343201001.db2.gz MQLUNELUIXHDHZ-UHFFFAOYSA-N 1 0 186.258 2.053 10 0 AEAERO Cc1ccc2c(c1)cc1n2CC[NH2+]C1 39115210 343201369 /nfs/dbraw/zinc/20/13/69/343201369.db2.gz DNBQBRIEOPMTKR-UHFFFAOYSA-N 1 0 186.258 2.053 10 0 AEAERO CC1(C)Cc2sccc2C[NH2+]1 39116286 343201822 /nfs/dbraw/zinc/20/18/22/343201822.db2.gz BAHPFYBCOUGAGK-UHFFFAOYSA-N 1 0 167.277 2.172 10 0 AEAERO 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343206057 /nfs/dbraw/zinc/20/60/57/343206057.db2.gz VPQGUXSIKAZLQW-KCJUWKMLSA-N 1 0 161.248 2.269 10 0 AEAERO C[NH+](C)CCc1ccc(Cl)cc1 39233914 343207155 /nfs/dbraw/zinc/20/71/55/343207155.db2.gz RKLSNRMANRTWPZ-UHFFFAOYSA-N 1 0 183.682 2.444 10 0 AEAERO CC(C)(F)[C@H]([NH3+])c1ccccc1 39245151 343207791 /nfs/dbraw/zinc/20/77/91/343207791.db2.gz XUVZFQQBKHZBTK-SECBINFHSA-N 1 0 167.227 2.435 10 0 AEAERO CC(C)(F)[C@@H]([NH3+])c1ccccc1 39245152 343207863 /nfs/dbraw/zinc/20/78/63/343207863.db2.gz XUVZFQQBKHZBTK-VIFPVBQESA-N 1 0 167.227 2.435 10 0 AEAERO COc1ccc(C)cc1C[NH+](C)C 39250334 343208534 /nfs/dbraw/zinc/20/85/34/343208534.db2.gz DFPLJLKICBZDFS-UHFFFAOYSA-N 1 0 179.263 2.065 10 0 AEAERO C[C@@H]([NH3+])[C@](C)(F)c1ccccc1 39258276 343208658 /nfs/dbraw/zinc/20/86/58/343208658.db2.gz FIFSVXOOFDSKEK-SCZZXKLOSA-N 1 0 167.227 2.219 10 0 AEAERO C[C@H]([NH3+])[C@@](C)(F)c1ccccc1 39258277 343208679 /nfs/dbraw/zinc/20/86/79/343208679.db2.gz FIFSVXOOFDSKEK-WCBMZHEXSA-N 1 0 167.227 2.219 10 0 AEAERO 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/nfs/dbraw/zinc/21/23/21/343212321.db2.gz ICXDKWHGNNFJOU-DTWKUNHWSA-N 1 0 161.248 2.454 10 0 AEAERO CC1(C)CCC(C)(C)C1[NH3+] 39434527 343212500 /nfs/dbraw/zinc/21/25/00/343212500.db2.gz NASSFFNUSVZSCX-UHFFFAOYSA-N 1 0 141.258 2.160 10 0 AEAERO C[C@@H]1CC[N@H+](C)[C@H]2C=CC=C[C@H]12 39576132 343212887 /nfs/dbraw/zinc/21/28/87/343212887.db2.gz ZPUHWDZKMKLWRN-MXWKQRLJSA-N 1 0 163.264 2.069 10 0 AEAERO CC1(C)C[C@H](C[NH3+])c2ccccc2O1 39613575 343213282 /nfs/dbraw/zinc/21/32/82/343213282.db2.gz BTWFXNJRCRIXES-SECBINFHSA-N 1 0 191.274 2.290 10 0 AEAERO C[C@H]1CC[N@@H+](C(C)(C)C)C1 39642961 343213732 /nfs/dbraw/zinc/21/37/32/343213732.db2.gz NNOGVEWATDECCU-QMMMGPOBSA-N 1 0 141.258 2.127 10 0 AEAERO C[C@@H]1CC[N@@H+](C(C)(C)C)C1 39642960 343213784 /nfs/dbraw/zinc/21/37/84/343213784.db2.gz NNOGVEWATDECCU-MRVPVSSYSA-N 1 0 141.258 2.127 10 0 AEAERO CC[C@@](C)([NH3+])c1cccs1 40237709 343216032 /nfs/dbraw/zinc/21/60/32/343216032.db2.gz MQZWZLWUIZPFGX-MRVPVSSYSA-N 1 0 155.266 2.332 10 0 AEAERO 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/nfs/dbraw/zinc/38/31/52/343383152.db2.gz OQJZZDGBPNUTQL-UHFFFAOYSA-N 1 0 185.336 2.414 10 0 AEAERO C1CCC(SC[C@@H]2CCC[NH2+]2)C1 62830737 343383181 /nfs/dbraw/zinc/38/31/81/343383181.db2.gz CUAASMNLQRPIOM-VIFPVBQESA-N 1 0 185.336 2.414 10 0 AEAERO C1CCC(CS[C@@H]2CC[NH2+]C2)C1 62837022 343383248 /nfs/dbraw/zinc/38/32/48/343383248.db2.gz IPQQIBNCHZNHIC-SNVBAGLBSA-N 1 0 185.336 2.272 10 0 AEAERO C1CCC(SC[C@H]2CC[NH2+]C2)C1 62830736 343383274 /nfs/dbraw/zinc/38/32/74/343383274.db2.gz CQVYRERRAFEGAL-VIFPVBQESA-N 1 0 185.336 2.272 10 0 AEAERO C1CCC(SC[C@H]2CCC[NH2+]2)C1 62830738 343383352 /nfs/dbraw/zinc/38/33/52/343383352.db2.gz CUAASMNLQRPIOM-SECBINFHSA-N 1 0 185.336 2.414 10 0 AEAERO C[C@@]1(CNc2ccccc2)CC[NH2+]C1 62911374 343384502 /nfs/dbraw/zinc/38/45/02/343384502.db2.gz NTSFJNHPNUUNHB-GFCCVEGCSA-N 1 0 190.290 2.098 10 0 AEAERO C[C@H]1CC[C@H](N(C)C2CCCC2)C[NH2+]1 62948637 343386963 /nfs/dbraw/zinc/38/69/63/343386963.db2.gz TYCLJJRKSYEXPL-JQWIXIFHSA-N 1 0 196.338 2.001 10 0 AEAERO C[C@H]1CC[C@@H](N(C)C2CCCC2)C[NH2+]1 62948639 343387035 /nfs/dbraw/zinc/38/70/35/343387035.db2.gz TYCLJJRKSYEXPL-CMPLNLGQSA-N 1 0 196.338 2.001 10 0 AEAERO C[C@@H]1CC[C@@H](N(C)CC(C)(C)C)C[NH2+]1 62948960 343387254 /nfs/dbraw/zinc/38/72/54/343387254.db2.gz CNYZXQXBILESHV-GHMZBOCLSA-N 1 0 198.354 2.105 10 0 AEAERO C[C@@H]1CC[C@H](N(C)C2CCCC2)C[NH2+]1 62948636 343387271 /nfs/dbraw/zinc/38/72/71/343387271.db2.gz TYCLJJRKSYEXPL-PWSUYJOCSA-N 1 0 196.338 2.001 10 0 AEAERO C[C@@H]1CC[C@H](N(C)CC(C)(C)C)C[NH2+]1 62948958 343387361 /nfs/dbraw/zinc/38/73/61/343387361.db2.gz CNYZXQXBILESHV-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO C[C@H]1CC[C@@H](N(C)CC(C)(C)C)C[NH2+]1 62948961 343387369 /nfs/dbraw/zinc/38/73/69/343387369.db2.gz CNYZXQXBILESHV-WDEREUQCSA-N 1 0 198.354 2.105 10 0 AEAERO CC(C)[C@H](C)N(C)[C@H]1CC[C@@H](C)[NH2+]C1 62948688 343387377 /nfs/dbraw/zinc/38/73/77/343387377.db2.gz YNWKDAIGQLSUAV-WOPDTQHZSA-N 1 0 198.354 2.103 10 0 AEAERO CC(C)[C@H](C)N(C)[C@@H]1CC[C@@H](C)[NH2+]C1 62948690 343387412 /nfs/dbraw/zinc/38/74/12/343387412.db2.gz YNWKDAIGQLSUAV-GRYCIOLGSA-N 1 0 198.354 2.103 10 0 AEAERO C[C@H]1CC[C@H](N(C)CC(C)(C)C)C[NH2+]1 62948959 343387444 /nfs/dbraw/zinc/38/74/44/343387444.db2.gz CNYZXQXBILESHV-QWRGUYRKSA-N 1 0 198.354 2.105 10 0 AEAERO Cc1ccc([C@H]([NH3+])C(C)(C)C)cn1 62949871 343387523 /nfs/dbraw/zinc/38/75/23/343387523.db2.gz OHWVCQCGVSNQAB-JTQLQIEISA-N 1 0 178.279 2.436 10 0 AEAERO C[NH2+][C@@H](c1ccc(C)nc1)C1CC1 62950049 343387533 /nfs/dbraw/zinc/38/75/33/343387533.db2.gz UAUYDDSWXOKCBI-LLVKDONJSA-N 1 0 176.263 2.061 10 0 AEAERO Cc1ccc([C@@H]([NH3+])CC(C)C)cn1 62949846 343387550 /nfs/dbraw/zinc/38/75/50/343387550.db2.gz HJNHTLRHDYSPNH-NSHDSACASA-N 1 0 178.279 2.436 10 0 AEAERO CC[NH2+][C@H](C)c1ccc(C)nc1 62950028 343387559 /nfs/dbraw/zinc/38/75/59/343387559.db2.gz QIVLAIYOLYZFTB-SECBINFHSA-N 1 0 164.252 2.061 10 0 AEAERO Cc1ccc([C@H]2CCCC[NH2+]2)cn1 62950640 343387576 /nfs/dbraw/zinc/38/75/76/343387576.db2.gz VYGTYEJVJKDUGQ-LLVKDONJSA-N 1 0 176.263 2.205 10 0 AEAERO Cc1ccc([C@@H]2CCCC[NH2+]2)cn1 62950639 343387581 /nfs/dbraw/zinc/38/75/81/343387581.db2.gz VYGTYEJVJKDUGQ-NSHDSACASA-N 1 0 176.263 2.205 10 0 AEAERO Cc1ccc([C@H]([NH3+])CC(C)C)cn1 62949845 343387583 /nfs/dbraw/zinc/38/75/83/343387583.db2.gz HJNHTLRHDYSPNH-LLVKDONJSA-N 1 0 178.279 2.436 10 0 AEAERO Cc1ccc([C@H]([NH3+])C(C)C)cn1 62949849 343387600 /nfs/dbraw/zinc/38/76/00/343387600.db2.gz ZNSBCMCPBBGGIA-SNVBAGLBSA-N 1 0 164.252 2.046 10 0 AEAERO Cc1ccc([C@@H]([NH3+])C(C)C)cn1 62949850 343387626 /nfs/dbraw/zinc/38/76/26/343387626.db2.gz ZNSBCMCPBBGGIA-JTQLQIEISA-N 1 0 164.252 2.046 10 0 AEAERO Cc1ccc([C@H]2CCCC[C@@H]2[NH3+])cn1 62950584 343387647 /nfs/dbraw/zinc/38/76/47/343387647.db2.gz UIKVTISRESXQTH-NEPJUHHUSA-N 1 0 190.290 2.375 10 0 AEAERO Cc1ccc([C@@H]([NH3+])C(C)(C)C)cn1 62949872 343387706 /nfs/dbraw/zinc/38/77/06/343387706.db2.gz OHWVCQCGVSNQAB-SNVBAGLBSA-N 1 0 178.279 2.436 10 0 AEAERO Cc1ccc([C@H]2CCCC[C@H]2[NH3+])cn1 62950586 343387733 /nfs/dbraw/zinc/38/77/33/343387733.db2.gz UIKVTISRESXQTH-VXGBXAGGSA-N 1 0 190.290 2.375 10 0 AEAERO C[NH2+][C@H](c1ccc(C)nc1)C1CC1 62950050 343387746 /nfs/dbraw/zinc/38/77/46/343387746.db2.gz UAUYDDSWXOKCBI-NSHDSACASA-N 1 0 176.263 2.061 10 0 AEAERO CC[C@H]([NH2+]C)c1ccc(C)nc1 62950019 343387774 /nfs/dbraw/zinc/38/77/74/343387774.db2.gz IUUYYUNTOVMCRC-JTQLQIEISA-N 1 0 164.252 2.061 10 0 AEAERO CC[NH2+][C@@H](C)c1ccc(C)nc1 62950027 343387839 /nfs/dbraw/zinc/38/78/39/343387839.db2.gz QIVLAIYOLYZFTB-VIFPVBQESA-N 1 0 164.252 2.061 10 0 AEAERO CC[C@@H]([NH2+]C)c1ccc(C)nc1 62950020 343387854 /nfs/dbraw/zinc/38/78/54/343387854.db2.gz IUUYYUNTOVMCRC-SNVBAGLBSA-N 1 0 164.252 2.061 10 0 AEAERO Cc1ccc([C@@H]2CCCC[C@H]2[NH3+])cn1 62950585 343387858 /nfs/dbraw/zinc/38/78/58/343387858.db2.gz UIKVTISRESXQTH-NWDGAFQWSA-N 1 0 190.290 2.375 10 0 AEAERO CCC[C@H](C)C1CC[NH2+]CC1 62951115 343388092 /nfs/dbraw/zinc/38/80/92/343388092.db2.gz ZMWCRLPEWNQOEY-VIFPVBQESA-N 1 0 155.285 2.422 10 0 AEAERO CCC1(C)CC[NH+]([C@@H](C)C(C)=O)CC1 62954920 343388094 /nfs/dbraw/zinc/38/80/94/343388094.db2.gz WFGSCWUPPCUMNR-JTQLQIEISA-N 1 0 197.322 2.476 10 0 AEAERO CCC1(C)CC[NH+]([C@H](C)[C@@H](C)N)CC1 62953074 343388101 /nfs/dbraw/zinc/38/81/01/343388101.db2.gz JPPVLQGRGZSTDX-GHMZBOCLSA-N 1 0 198.354 2.234 10 0 AEAERO CCC1(CC)CCN(C(=[NH2+])NC)CC1 62959765 343388110 /nfs/dbraw/zinc/38/81/10/343388110.db2.gz RSTLLVRHFCJQPZ-UHFFFAOYSA-N 1 0 197.326 2.043 10 0 AEAERO C1=CC[C@H](C2CC[NH2+]CC2)CC1 62951081 343388112 /nfs/dbraw/zinc/38/81/12/343388112.db2.gz IXDMSUUCEQGAGM-JTQLQIEISA-N 1 0 165.280 2.342 10 0 AEAERO CCC1(C)CC[NH+]([C@H](C)C(C)=O)CC1 62954921 343388157 /nfs/dbraw/zinc/38/81/57/343388157.db2.gz WFGSCWUPPCUMNR-SNVBAGLBSA-N 1 0 197.322 2.476 10 0 AEAERO C1=CC[C@@H](C2CC[NH2+]CC2)CC1 62951080 343388255 /nfs/dbraw/zinc/38/82/55/343388255.db2.gz IXDMSUUCEQGAGM-SNVBAGLBSA-N 1 0 165.280 2.342 10 0 AEAERO CCC1(C)CC[NH+](CC(C)=O)CC1 62954939 343388294 /nfs/dbraw/zinc/38/82/94/343388294.db2.gz HPIIZNNMVLUXBU-UHFFFAOYSA-N 1 0 183.295 2.088 10 0 AEAERO CCC[C@@H](C)C1CC[NH2+]CC1 62951114 343388336 /nfs/dbraw/zinc/38/83/36/343388336.db2.gz ZMWCRLPEWNQOEY-SECBINFHSA-N 1 0 155.285 2.422 10 0 AEAERO COC(C)(C)CC1(C)CC[NH2+]CC1 62951048 343388348 /nfs/dbraw/zinc/38/83/48/343388348.db2.gz RLDCSDFPOOAXAD-UHFFFAOYSA-N 1 0 185.311 2.191 10 0 AEAERO CC1(c2cccc(F)c2)CC[NH2+]CC1 62951041 343388364 /nfs/dbraw/zinc/38/83/64/343388364.db2.gz BYMAFAVOAHSVIQ-UHFFFAOYSA-N 1 0 193.265 2.467 10 0 AEAERO CCC1(C)CC[NH+]([C@@H](C)[C@@H](C)N)CC1 62953073 343388387 /nfs/dbraw/zinc/38/83/87/343388387.db2.gz JPPVLQGRGZSTDX-MNOVXSKESA-N 1 0 198.354 2.234 10 0 AEAERO CC(=[NH2+])N[C@H]1CCCC[C@@H]1C 62987038 343389731 /nfs/dbraw/zinc/38/97/31/343389731.db2.gz AIUAAUPFWFQNID-CBAPKCEASA-N 1 0 154.257 2.152 10 0 AEAERO CC(=[NH2+])N(C)C1CCCCC1 62987078 343389735 /nfs/dbraw/zinc/38/97/35/343389735.db2.gz JUPYQVXSMQSJIH-UHFFFAOYSA-N 1 0 154.257 2.248 10 0 AEAERO CC(=[NH2+])Nc1ccc(F)cc1F 62987043 343389738 /nfs/dbraw/zinc/38/97/38/343389738.db2.gz MPPUZXPCVXUBMR-UHFFFAOYSA-N 1 0 170.162 2.374 10 0 AEAERO CC(=[NH2+])N[C@H]1CCCC[C@H]1C 62987037 343389759 /nfs/dbraw/zinc/38/97/59/343389759.db2.gz AIUAAUPFWFQNID-APPZFPTMSA-N 1 0 154.257 2.152 10 0 AEAERO CC(=[NH2+])NCc1ccc(Cl)cc1 62986907 343389774 /nfs/dbraw/zinc/38/97/74/343389774.db2.gz DBBZQPGOCBFLCX-UHFFFAOYSA-N 1 0 182.654 2.427 10 0 AEAERO CC(=[NH2+])N(C)c1ccccc1 62987087 343389803 /nfs/dbraw/zinc/38/98/03/343389803.db2.gz FPSTWKQFKVIKQT-UHFFFAOYSA-N 1 0 148.209 2.120 10 0 AEAERO COc1ccc(NC(C)=[NH2+])cc1OC 62986970 343389838 /nfs/dbraw/zinc/38/98/38/343389838.db2.gz MOWPPYFVWBICIB-UHFFFAOYSA-N 1 0 194.234 2.113 10 0 AEAERO CC(=[NH2+])N[C@H](C)c1ccsc1 62986878 343389859 /nfs/dbraw/zinc/38/98/59/343389859.db2.gz ANLYSZPFSRZKMB-ZCFIWIBFSA-N 1 0 168.265 2.396 10 0 AEAERO COc1ccc(NC(C)=[NH2+])c(OC)c1 62986935 343389868 /nfs/dbraw/zinc/38/98/68/343389868.db2.gz OLPLMGBSNPTCNF-UHFFFAOYSA-N 1 0 194.234 2.113 10 0 AEAERO COc1ccc(OC)c(NC(C)=[NH2+])c1 62986974 343389875 /nfs/dbraw/zinc/38/98/75/343389875.db2.gz YMKASZHAVJIETM-UHFFFAOYSA-N 1 0 194.234 2.113 10 0 AEAERO CCOc1ccc(NC(C)=[NH2+])cc1 62986933 343389989 /nfs/dbraw/zinc/38/99/89/343389989.db2.gz BJUVQTUSGJUREU-UHFFFAOYSA-N 1 0 178.235 2.494 10 0 AEAERO CC(=[NH2+])Nc1cccc(NC(C)=O)c1 62987025 343390018 /nfs/dbraw/zinc/39/00/18/343390018.db2.gz PLCKRLLPVVVSLV-UHFFFAOYSA-N 1 0 191.234 2.054 10 0 AEAERO CC(=[NH2+])N1CCCc2ccccc21 62987077 343390030 /nfs/dbraw/zinc/39/00/30/343390030.db2.gz HWXJDFNRTKOMIT-UHFFFAOYSA-N 1 0 174.247 2.436 10 0 AEAERO COc1ccccc1NC(C)=[NH2+] 62986932 343390034 /nfs/dbraw/zinc/39/00/34/343390034.db2.gz XYFBTVNVYBXXFR-UHFFFAOYSA-N 1 0 164.208 2.104 10 0 AEAERO COc1ccc(C)cc1NC(C)=[NH2+] 62987018 343390042 /nfs/dbraw/zinc/39/00/42/343390042.db2.gz MQUJBCJIZWGKMM-UHFFFAOYSA-N 1 0 178.235 2.413 10 0 AEAERO CC(=[NH2+])N1CCc2ccccc2C1 62987084 343390062 /nfs/dbraw/zinc/39/00/62/343390062.db2.gz LGWBIHRJHBWJBU-UHFFFAOYSA-N 1 0 174.247 2.042 10 0 AEAERO CC(=[NH2+])N[C@@H](C)c1ccsc1 62986877 343390066 /nfs/dbraw/zinc/39/00/66/343390066.db2.gz ANLYSZPFSRZKMB-LURJTMIESA-N 1 0 168.265 2.396 10 0 AEAERO CCCCN(CC)C(C)=[NH2+] 62987105 343390082 /nfs/dbraw/zinc/39/00/82/343390082.db2.gz JDUWUYUKYWGNIP-UHFFFAOYSA-N 1 0 142.246 2.106 10 0 AEAERO CC(=[NH2+])N[C@H]1CCC[C@H](C)C1 62987160 343390164 /nfs/dbraw/zinc/39/01/64/343390164.db2.gz NOXPJWLARUDIKX-CBAPKCEASA-N 1 0 154.257 2.152 10 0 AEAERO CC(=[NH2+])N1CC[C@@H](C)C[C@H]1C 62987266 343390172 /nfs/dbraw/zinc/39/01/72/343390172.db2.gz XCFMJTYBTWQVOG-HTQZYQBOSA-N 1 0 154.257 2.104 10 0 AEAERO CC(=[NH2+])NCc1ccccc1C 62987245 343390183 /nfs/dbraw/zinc/39/01/83/343390183.db2.gz NPYJZEYUIXMFLQ-UHFFFAOYSA-N 1 0 162.236 2.082 10 0 AEAERO CC(=[NH2+])NCCc1cccc(C)c1 62987259 343390185 /nfs/dbraw/zinc/39/01/85/343390185.db2.gz HVGRCNMVUVWAKI-UHFFFAOYSA-N 1 0 176.263 2.124 10 0 AEAERO CC(=[NH2+])N[C@H](C)CC(C)C 62987156 343390187 /nfs/dbraw/zinc/39/01/87/343390187.db2.gz LUGLHEVELMVPFC-SSDOTTSWSA-N 1 0 142.246 2.008 10 0 AEAERO CCC[C@@H](CC)NC(C)=[NH2+] 62987276 343390193 /nfs/dbraw/zinc/39/01/93/343390193.db2.gz JQQDMGNGPDZMDS-MRVPVSSYSA-N 1 0 142.246 2.152 10 0 AEAERO CC(=[NH2+])N[C@H]1CCC[C@@H](C)C1 62987159 343390195 /nfs/dbraw/zinc/39/01/95/343390195.db2.gz NOXPJWLARUDIKX-APPZFPTMSA-N 1 0 154.257 2.152 10 0 AEAERO CC(=[NH2+])N[C@@H](C)CC(C)C 62987157 343390197 /nfs/dbraw/zinc/39/01/97/343390197.db2.gz LUGLHEVELMVPFC-ZETCQYMHSA-N 1 0 142.246 2.008 10 0 AEAERO CC(=[NH2+])N1CC[C@H](C)C[C@H]1C 62987267 343390199 /nfs/dbraw/zinc/39/01/99/343390199.db2.gz XCFMJTYBTWQVOG-JGVFFNPUSA-N 1 0 154.257 2.104 10 0 AEAERO CC(=[NH2+])N(C)Cc1cccc(F)c1 62987117 343390210 /nfs/dbraw/zinc/39/02/10/343390210.db2.gz MJMPRECXTTVLAD-UHFFFAOYSA-N 1 0 180.226 2.255 10 0 AEAERO CC[C@H]1CCCN(C(C)=[NH2+])C1 62987206 343390215 /nfs/dbraw/zinc/39/02/15/343390215.db2.gz DEBCQWUCQAHEIK-VIFPVBQESA-N 1 0 154.257 2.106 10 0 AEAERO CC(=[NH2+])NCCC1CCCC1 62987249 343390227 /nfs/dbraw/zinc/39/02/27/343390227.db2.gz GVIAMAKMORYYSU-UHFFFAOYSA-N 1 0 154.257 2.153 10 0 AEAERO CC(=[NH2+])NCc1ccc(C)s1 62987269 343390234 /nfs/dbraw/zinc/39/02/34/343390234.db2.gz MEEGGCFTAYMKRB-UHFFFAOYSA-N 1 0 168.265 2.143 10 0 AEAERO CCN(C(C)=[NH2+])C1CCCC1 62987183 343390236 /nfs/dbraw/zinc/39/02/36/343390236.db2.gz XIDKTPSTJGUBPD-UHFFFAOYSA-N 1 0 154.257 2.248 10 0 AEAERO CC(=[NH2+])N(C)Cc1ccc(C)o1 62987169 343390240 /nfs/dbraw/zinc/39/02/40/343390240.db2.gz SJSFEHHDNAGBGK-UHFFFAOYSA-N 1 0 166.224 2.017 10 0 AEAERO CC(=[NH2+])NCc1ccc(F)cc1F 62987275 343390259 /nfs/dbraw/zinc/39/02/59/343390259.db2.gz BDRCUTIVPGUNRV-UHFFFAOYSA-N 1 0 184.189 2.052 10 0 AEAERO CCCC[C@@H](C)NC(C)=[NH2+] 62987271 343390266 /nfs/dbraw/zinc/39/02/66/343390266.db2.gz LGNPYINLAKZYCK-SSDOTTSWSA-N 1 0 142.246 2.152 10 0 AEAERO CC[C@@H]1CCCN(C(C)=[NH2+])C1 62987205 343390270 /nfs/dbraw/zinc/39/02/70/343390270.db2.gz DEBCQWUCQAHEIK-SECBINFHSA-N 1 0 154.257 2.106 10 0 AEAERO 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150.225 2.210 10 0 AEAERO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccccc1 70046505 343469685 /nfs/dbraw/zinc/46/96/85/343469685.db2.gz DOIWFIMACZKYIA-JQWIXIFHSA-N 1 0 191.274 2.063 10 0 AEAERO CCC(C)(C)O[C@H]1CC[NH2+]C[C@@H]1C 70046593 343469710 /nfs/dbraw/zinc/46/97/10/343469710.db2.gz PIBBEBVVXQWJHH-UWVGGRQHSA-N 1 0 185.311 2.190 10 0 AEAERO CCC(C)(C)O[C@@H]1CC[NH2+]C[C@H]1C 70046594 343469717 /nfs/dbraw/zinc/46/97/17/343469717.db2.gz PIBBEBVVXQWJHH-NXEZZACHSA-N 1 0 185.311 2.190 10 0 AEAERO CCC(C)(C)O[C@@H]1CC[NH2+]C[C@@H]1C 70046591 343469721 /nfs/dbraw/zinc/46/97/21/343469721.db2.gz PIBBEBVVXQWJHH-VHSXEESVSA-N 1 0 185.311 2.190 10 0 AEAERO Cc1c[nH+]ccc1NCC(F)(F)F 70046651 343469775 /nfs/dbraw/zinc/46/97/75/343469775.db2.gz HWKSJDFMXOJHEF-UHFFFAOYSA-N 1 0 190.168 2.364 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccccc1 70046507 343469794 /nfs/dbraw/zinc/46/97/94/343469794.db2.gz DOIWFIMACZKYIA-ZYHUDNBSSA-N 1 0 191.274 2.063 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccccc1 70046504 343469800 /nfs/dbraw/zinc/46/98/00/343469800.db2.gz DOIWFIMACZKYIA-PWSUYJOCSA-N 1 0 191.274 2.063 10 0 AEAERO C(CCC1CC1)C[NH2+]C1CC1 70054755 343470572 /nfs/dbraw/zinc/47/05/72/343470572.db2.gz IPGWUXTWKCDSEQ-UHFFFAOYSA-N 1 0 153.269 2.319 10 0 AEAERO Cc1cc[nH+]c(NCC(C)(C)C)c1N 70062758 343472138 /nfs/dbraw/zinc/47/21/38/343472138.db2.gz XDVNLPZUBOFOGI-UHFFFAOYSA-N 1 0 193.294 2.430 10 0 AEAERO Cc1cc[nH+]c(NCC2CCC2)c1N 70062671 343472336 /nfs/dbraw/zinc/47/23/36/343472336.db2.gz IKJFMYPQUUAHKR-UHFFFAOYSA-N 1 0 191.278 2.184 10 0 AEAERO Cc1cc[nH+]c(N(C)CC(C)C)c1N 70062660 343472351 /nfs/dbraw/zinc/47/23/51/343472351.db2.gz KHAOJVBBQJVPLX-UHFFFAOYSA-N 1 0 193.294 2.064 10 0 AEAERO Cc1cc[nH+]c(N[C@H]2CC2(C)C)c1N 70062910 343472413 /nfs/dbraw/zinc/47/24/13/343472413.db2.gz ICBKZLQTGULXNB-QMMMGPOBSA-N 1 0 191.278 2.183 10 0 AEAERO C[C@@]1(c2ccccc2F)CCC[NH2+]C1 70063815 343472573 /nfs/dbraw/zinc/47/25/73/343472573.db2.gz BTAUGEICRJXBHQ-GFCCVEGCSA-N 1 0 193.265 2.467 10 0 AEAERO CC(C)C[C@]1(C)CCC[NH2+]C1 70063759 343472594 /nfs/dbraw/zinc/47/25/94/343472594.db2.gz WVQNSVVTRCGLCL-JTQLQIEISA-N 1 0 155.285 2.422 10 0 AEAERO CC[C@]1(C(C)C)CCC[NH2+]C1 70063922 343472616 /nfs/dbraw/zinc/47/26/16/343472616.db2.gz XORSNDMPXQLJEM-JTQLQIEISA-N 1 0 155.285 2.422 10 0 AEAERO Cc1ccc([C@@]2(C)CCC[NH2+]C2)o1 70063856 343472628 /nfs/dbraw/zinc/47/26/28/343472628.db2.gz QVZAUUIRGASKFM-NSHDSACASA-N 1 0 179.263 2.229 10 0 AEAERO C[C@@]1(c2ccc(F)cc2)CCC[NH2+]C1 70063898 343472644 /nfs/dbraw/zinc/47/26/44/343472644.db2.gz XTXBCFRLWWJKBY-GFCCVEGCSA-N 1 0 193.265 2.467 10 0 AEAERO C[C@]1(c2cccc(F)c2)CCC[NH2+]C1 70063801 343472680 /nfs/dbraw/zinc/47/26/80/343472680.db2.gz JZFDZUHFICWRQP-LBPRGKRZSA-N 1 0 193.265 2.467 10 0 AEAERO CC(C)[C@H]1C[C@@]2(CCC[NH2+]C2)CCO1 70063767 343472666 /nfs/dbraw/zinc/47/26/66/343472666.db2.gz XPBQAORASHJLIT-VXGBXAGGSA-N 1 0 197.322 2.191 10 0 AEAERO CC[C@H](C)[C@@]1(C)CCC[NH2+]C1 70063752 343472672 /nfs/dbraw/zinc/47/26/72/343472672.db2.gz 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2.301 10 0 AEAERO C1C[C@@H](C(C2CC2)C2CC2)C[NH2+]1 70627860 343507739 /nfs/dbraw/zinc/50/77/39/343507739.db2.gz OYZVNAHLPOPGHN-SNVBAGLBSA-N 1 0 165.280 2.032 10 0 AEAERO C[C@H](Cc1ccco1)[C@H]1CC[NH2+]C1 70627889 343507757 /nfs/dbraw/zinc/50/77/57/343507757.db2.gz ZVMSQJDJYWMBRU-ZJUUUORDSA-N 1 0 179.263 2.068 10 0 AEAERO C[C@@H](Cc1ccco1)[C@@H]1CC[NH2+]C1 70627886 343507795 /nfs/dbraw/zinc/50/77/95/343507795.db2.gz ZVMSQJDJYWMBRU-VHSXEESVSA-N 1 0 179.263 2.068 10 0 AEAERO CCC[C@@H](C)[C@@H]1CC[NH2+]C1 70627804 343507810 /nfs/dbraw/zinc/50/78/10/343507810.db2.gz PIHYRYNONFRGQT-RKDXNWHRSA-N 1 0 141.258 2.032 10 0 AEAERO Cc1cc(F)ccc1C[C@H]1CC[NH2+]C1 70627837 343507816 /nfs/dbraw/zinc/50/78/16/343507816.db2.gz FYRMNVVIFUIOOD-SNVBAGLBSA-N 1 0 193.265 2.286 10 0 AEAERO C[C@@H](Cc1ccco1)[C@H]1CC[NH2+]C1 70627888 343507841 /nfs/dbraw/zinc/50/78/41/343507841.db2.gz ZVMSQJDJYWMBRU-UWVGGRQHSA-N 1 0 179.263 2.068 10 0 AEAERO CC1(C)CCC[C@](CO)([NH2+]C2CC2)C1 70629173 343508663 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CCn1ccc2cc(C[NH2+]C)ccc21 70631502 343510250 /nfs/dbraw/zinc/51/02/50/343510250.db2.gz OCQXLYHRMYNSIA-UHFFFAOYSA-N 1 0 188.274 2.381 10 0 AEAERO FC(F)(F)[C@H]1CC[C@H](C2CC2)[NH2+]C1 70632339 343510758 /nfs/dbraw/zinc/51/07/58/343510758.db2.gz WLYJZEFMIUOQMK-JGVFFNPUSA-N 1 0 193.212 2.327 10 0 AEAERO C[C@H]1CCC[C@@H](n2ccc(C[NH3+])n2)C1 70631020 343510419 /nfs/dbraw/zinc/51/04/19/343510419.db2.gz YPXFMORPWODSPD-GXSJLCMTSA-N 1 0 193.294 2.093 10 0 AEAERO c1cc2c(c(C3CC3)c1)CC[NH2+]C2 70632231 343510446 /nfs/dbraw/zinc/51/04/46/343510446.db2.gz MNKQNENQFLVQBB-UHFFFAOYSA-N 1 0 173.259 2.210 10 0 AEAERO CCn1ccc2ccc(C[NH3+])cc21 70631097 343510465 /nfs/dbraw/zinc/51/04/65/343510465.db2.gz PEUYYSQZXWJBSE-UHFFFAOYSA-N 1 0 174.247 2.120 10 0 AEAERO C[C@H]1CCC[C@H](n2ccc(C[NH3+])n2)C1 70631018 343510481 /nfs/dbraw/zinc/51/04/81/343510481.db2.gz YPXFMORPWODSPD-ONGXEEELSA-N 1 0 193.294 2.093 10 0 AEAERO CC(C)[C@H]1[NH2+]CCC[C@@H]1C 70632177 343510521 /nfs/dbraw/zinc/51/05/21/343510521.db2.gz 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343553533 /nfs/dbraw/zinc/55/35/33/343553533.db2.gz QOUOXBVCCCFGMC-LLVKDONJSA-N 1 0 176.263 2.105 10 0 AEAERO Cc1cc(C)c2c(N)[nH+]ccc2c1 71482624 343553600 /nfs/dbraw/zinc/55/36/00/343553600.db2.gz AVGBFBNBHYVCEM-UHFFFAOYSA-N 1 0 172.231 2.434 10 0 AEAERO C[N@@H+]1CCC[C@@H]1c1ccccc1N 71494100 343554021 /nfs/dbraw/zinc/55/40/21/343554021.db2.gz CDDRELKVMNWUFP-LLVKDONJSA-N 1 0 176.263 2.036 10 0 AEAERO C[N@@H+]1CCC[C@@H]1c1ccc(N)cc1 71494104 343554028 /nfs/dbraw/zinc/55/40/28/343554028.db2.gz CIYLDWFAOSBJSA-LLVKDONJSA-N 1 0 176.263 2.036 10 0 AEAERO C[N@@H+]1CCC[C@H]1c1ccccc1N 71494101 343554061 /nfs/dbraw/zinc/55/40/61/343554061.db2.gz CDDRELKVMNWUFP-NSHDSACASA-N 1 0 176.263 2.036 10 0 AEAERO C[N@@H+]1CCC[C@H]1c1cccc(N)c1 71494103 343554084 /nfs/dbraw/zinc/55/40/84/343554084.db2.gz FZIQVBYMQUCONZ-NSHDSACASA-N 1 0 176.263 2.036 10 0 AEAERO C[N@@H+]1CCC[C@@H]1c1cccc(N)c1 71494102 343554209 /nfs/dbraw/zinc/55/42/09/343554209.db2.gz FZIQVBYMQUCONZ-LLVKDONJSA-N 1 0 176.263 2.036 10 0 AEAERO 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161.248 2.251 10 0 AEAERO Cc1cccc(CC2(C[NH3+])CC2)c1 71496917 343554609 /nfs/dbraw/zinc/55/46/09/343554609.db2.gz PNEYHMLACGTMOK-UHFFFAOYSA-N 1 0 175.275 2.276 10 0 AEAERO Cc1cc(C)c(C2C[NH2+]C2)cc1C 71496957 343554652 /nfs/dbraw/zinc/55/46/52/343554652.db2.gz HQOQRLYUJHUVIF-UHFFFAOYSA-N 1 0 175.275 2.299 10 0 AEAERO Clc1ccc(C2C[NH2+]C2)s1 71496761 343554690 /nfs/dbraw/zinc/55/46/90/343554690.db2.gz USYQUHBVOVNGPO-UHFFFAOYSA-N 1 0 173.668 2.088 10 0 AEAERO CC1([C@@H]([NH3+])c2ccccc2)CC1 71495673 343554695 /nfs/dbraw/zinc/55/46/95/343554695.db2.gz PNWYQCXKSJBDRW-JTQLQIEISA-N 1 0 161.248 2.487 10 0 AEAERO CC(C)([NH3+])CCc1cccs1 71496466 343554711 /nfs/dbraw/zinc/55/47/11/343554711.db2.gz FUFJUUDJQKYSOY-UHFFFAOYSA-N 1 0 169.293 2.418 10 0 AEAERO Cc1cccc(SC[C@@H](C)[NH3+])c1 71498949 343554990 /nfs/dbraw/zinc/55/49/90/343554990.db2.gz XMIANNVUMPXROM-SECBINFHSA-N 1 0 181.304 2.434 10 0 AEAERO CC(C)Nc1ccc(F)cc1C[NH3+] 71499093 343554995 /nfs/dbraw/zinc/55/49/95/343554995.db2.gz 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/nfs/dbraw/zinc/88/03/75/343880375.db2.gz HPIVDBGUHPZVMH-PSASIEDQSA-N 1 0 153.269 2.326 10 0 AEAERO CC(C)=C[C@@H]([NH3+])[C@@H](C)C1CC1 131159469 343880385 /nfs/dbraw/zinc/88/03/85/343880385.db2.gz HPIVDBGUHPZVMH-WCBMZHEXSA-N 1 0 153.269 2.326 10 0 AEAERO CSCC[C@@H]1C[C@@H](C)CC[NH2+]1 131132230 343880552 /nfs/dbraw/zinc/88/05/52/343880552.db2.gz JHLYIPXARTVWKN-DTWKUNHWSA-N 1 0 173.325 2.128 10 0 AEAERO CSCC[C@@H]1C[C@H](C)CC[NH2+]1 131132019 343880583 /nfs/dbraw/zinc/88/05/83/343880583.db2.gz JHLYIPXARTVWKN-RKDXNWHRSA-N 1 0 173.325 2.128 10 0 AEAERO CSCC[C@H]1C[C@@H](C)CC[NH2+]1 131132665 343880593 /nfs/dbraw/zinc/88/05/93/343880593.db2.gz JHLYIPXARTVWKN-IUCAKERBSA-N 1 0 173.325 2.128 10 0 AEAERO CSCC[C@H]1C[C@H](C)CC[NH2+]1 131132456 343880727 /nfs/dbraw/zinc/88/07/27/343880727.db2.gz JHLYIPXARTVWKN-BDAKNGLRSA-N 1 0 173.325 2.128 10 0 AEAERO CC(C)=C[C@H]([NH3+])[C@H](C)C1CC1 131160086 343880757 /nfs/dbraw/zinc/88/07/57/343880757.db2.gz HPIVDBGUHPZVMH-SCZZXKLOSA-N 1 0 153.269 2.326 10 0 AEAERO C[C@H]([NH3+])CO[C@@H]1CC[C@H](C)[C@@H](C)C1 131184074 343881131 /nfs/dbraw/zinc/88/11/31/343881131.db2.gz GACYAGAMXXQJBY-XWLWVQCSSA-N 1 0 185.311 2.175 10 0 AEAERO [NH3+][C@H]1CCCCC[C@H]1OCC1CCC1 131182015 343881227 /nfs/dbraw/zinc/88/12/27/343881227.db2.gz FXYOANJVZNEVPY-NWDGAFQWSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+][C@H]1CCCCC[C@@H]1OCC1CCC1 131182438 343881283 /nfs/dbraw/zinc/88/12/83/343881283.db2.gz FXYOANJVZNEVPY-RYUDHWBXSA-N 1 0 197.322 2.463 10 0 AEAERO C[C@H]([NH3+])CO[C@@H]1CC[C@@H](C)[C@@H](C)C1 131183838 343881310 /nfs/dbraw/zinc/88/13/10/343881310.db2.gz GACYAGAMXXQJBY-VPOLOUISSA-N 1 0 185.311 2.175 10 0 AEAERO [NH3+][C@@H]1CCCCC[C@H]1OCC1CCC1 131182230 343881546 /nfs/dbraw/zinc/88/15/46/343881546.db2.gz FXYOANJVZNEVPY-VXGBXAGGSA-N 1 0 197.322 2.463 10 0 AEAERO [NH3+][C@@H]1CCCCC[C@@H]1OCC1CCC1 131182647 343881645 /nfs/dbraw/zinc/88/16/45/343881645.db2.gz FXYOANJVZNEVPY-NEPJUHHUSA-N 1 0 197.322 2.463 10 0 AEAERO C1=CCC([NH2+]Cc2ccccc2)C1 131193970 343881749 /nfs/dbraw/zinc/88/17/49/343881749.db2.gz FDMFMAPEOMIENK-UHFFFAOYSA-N 1 0 173.259 2.495 10 0 AEAERO Cc1cc(O[C@H](C)[C@H](C)[NH3+])ccc1F 131217041 343882044 /nfs/dbraw/zinc/88/20/44/343882044.db2.gz VZLPIWUXRVYASK-DTWKUNHWSA-N 1 0 197.253 2.249 10 0 AEAERO C[C@H]([NH3+])[C@H](C)O[C@@H]1CCC[C@@H](C)C1 131207949 343882066 /nfs/dbraw/zinc/88/20/66/343882066.db2.gz WJTHIINIFVUJPF-VPOLOUISSA-N 1 0 185.311 2.317 10 0 AEAERO C[C@H]([NH3+])[C@H](C)O[C@H]1CCC[C@@H](C)C1 131207560 343882082 /nfs/dbraw/zinc/88/20/82/343882082.db2.gz WJTHIINIFVUJPF-RCWTZXSCSA-N 1 0 185.311 2.317 10 0 AEAERO Cc1cc(O[C@@H](C)[C@H](C)[NH3+])ccc1F 131216861 343882259 /nfs/dbraw/zinc/88/22/59/343882259.db2.gz VZLPIWUXRVYASK-IUCAKERBSA-N 1 0 197.253 2.249 10 0 AEAERO CSCCCC[C@@H](C)C[NH3+] 131298833 343883345 /nfs/dbraw/zinc/88/33/45/343883345.db2.gz OKOQWHLPMZOKQZ-MRVPVSSYSA-N 1 0 161.314 2.115 10 0 AEAERO CSCCCC[C@H](C)C[NH3+] 131298615 343883407 /nfs/dbraw/zinc/88/34/07/343883407.db2.gz OKOQWHLPMZOKQZ-QMMMGPOBSA-N 1 0 161.314 2.115 10 0 AEAERO [NH3+][C@H]1CCC[C@@H]1OCc1cccs1 131335048 343883864 /nfs/dbraw/zinc/88/38/64/343883864.db2.gz QDWFLDMJNUPAOQ-UWVGGRQHSA-N 1 0 197.303 2.145 10 0 AEAERO [NH3+][C@@H]1CCC[C@H]1OCc1cccs1 131335321 343884034 /nfs/dbraw/zinc/88/40/34/343884034.db2.gz QDWFLDMJNUPAOQ-NXEZZACHSA-N 1 0 197.303 2.145 10 0 AEAERO [NH3+][C@@H]1CCC[C@@H]1OCc1cccs1 131335548 343884039 /nfs/dbraw/zinc/88/40/39/343884039.db2.gz QDWFLDMJNUPAOQ-ZJUUUORDSA-N 1 0 197.303 2.145 10 0 AEAERO CC(C)(C)[C@H]([NH3+])c1ncccc1F 131361906 343884494 /nfs/dbraw/zinc/88/44/94/343884494.db2.gz FQVBLISKLSDNDV-SECBINFHSA-N 1 0 182.242 2.267 10 0 AEAERO [NH3+][C@@H](CC1CCC1)c1ncccc1F 131355288 343884595 /nfs/dbraw/zinc/88/45/95/343884595.db2.gz ZAZCVXVTSFTRQG-JTQLQIEISA-N 1 0 194.253 2.411 10 0 AEAERO CC(C)(C)[C@@H]([NH3+])c1ncccc1F 131362108 343884740 /nfs/dbraw/zinc/88/47/40/343884740.db2.gz FQVBLISKLSDNDV-VIFPVBQESA-N 1 0 182.242 2.267 10 0 AEAERO [NH3+][C@H](CC1CCC1)c1ncccc1F 131355081 343884773 /nfs/dbraw/zinc/88/47/73/343884773.db2.gz ZAZCVXVTSFTRQG-SNVBAGLBSA-N 1 0 194.253 2.411 10 0 AEAERO CC(C)=C[C@@H]([NH3+])c1ncccc1F 131346657 343884781 /nfs/dbraw/zinc/88/47/81/343884781.db2.gz ASEXBQYLBPEIQO-SECBINFHSA-N 1 0 180.226 2.187 10 0 AEAERO CC(C)=C[C@H]([NH3+])c1ncccc1F 131346414 343884800 /nfs/dbraw/zinc/88/48/00/343884800.db2.gz ASEXBQYLBPEIQO-VIFPVBQESA-N 1 0 180.226 2.187 10 0 AEAERO c1coc(C[C@]2(C3CC3)CCC[NH2+]2)c1 131475150 343885565 /nfs/dbraw/zinc/88/55/65/343885565.db2.gz WSGWRAPLONWPDL-LBPRGKRZSA-N 1 0 191.274 2.354 10 0 AEAERO C[NH2+][C@H](c1ncccc1F)C(C)C 131479184 343885570 /nfs/dbraw/zinc/88/55/70/343885570.db2.gz FGIKIWNLAMOYCI-VIFPVBQESA-N 1 0 182.242 2.137 10 0 AEAERO C[NH2+][C@@H](c1ncccc1F)C(C)C 131479386 343885607 /nfs/dbraw/zinc/88/56/07/343885607.db2.gz FGIKIWNLAMOYCI-SECBINFHSA-N 1 0 182.242 2.137 10 0 AEAERO c1cc(C[C@]2(C3CC3)CCC[NH2+]2)co1 131474715 343885648 /nfs/dbraw/zinc/88/56/48/343885648.db2.gz NNEWQTZBDRKYSD-LBPRGKRZSA-N 1 0 191.274 2.354 10 0 AEAERO [NH3+][C@@H]1CCCC[C@@H]1OCC1CCC1 131483150 343885857 /nfs/dbraw/zinc/88/58/57/343885857.db2.gz HDVVMBRNVKTPCR-MNOVXSKESA-N 1 0 183.295 2.073 10 0 AEAERO CC(C)=CCO[C@@H]1CCCC[C@H]1[NH3+] 131449082 343885861 /nfs/dbraw/zinc/88/58/61/343885861.db2.gz FZNZGYHGLWFIRQ-GHMZBOCLSA-N 1 0 183.295 2.239 10 0 AEAERO [NH3+][C@H]1CCCC[C@@H]1OCC1CCC1 131483572 343885868 /nfs/dbraw/zinc/88/58/68/343885868.db2.gz HDVVMBRNVKTPCR-QWRGUYRKSA-N 1 0 183.295 2.073 10 0 AEAERO [NH3+][C@H]1CCCC[C@H]1OCC1CCC1 131483803 343885879 /nfs/dbraw/zinc/88/58/79/343885879.db2.gz HDVVMBRNVKTPCR-WDEREUQCSA-N 1 0 183.295 2.073 10 0 AEAERO CC(C)=CCO[C@H]1CCCC[C@H]1[NH3+] 131449291 343885973 /nfs/dbraw/zinc/88/59/73/343885973.db2.gz FZNZGYHGLWFIRQ-MNOVXSKESA-N 1 0 183.295 2.239 10 0 AEAERO c1cc(C[C@@]2(C3CC3)CCC[NH2+]2)co1 131474918 343885982 /nfs/dbraw/zinc/88/59/82/343885982.db2.gz NNEWQTZBDRKYSD-GFCCVEGCSA-N 1 0 191.274 2.354 10 0 AEAERO CC(C)=CCO[C@@H]1CCCC[C@@H]1[NH3+] 131448705 343886002 /nfs/dbraw/zinc/88/60/02/343886002.db2.gz FZNZGYHGLWFIRQ-WDEREUQCSA-N 1 0 183.295 2.239 10 0 AEAERO CSCCC1([NH3+])CCCCC1 131598170 343887011 /nfs/dbraw/zinc/88/70/11/343887011.db2.gz ISIBRJCBCARVPR-UHFFFAOYSA-N 1 0 173.325 2.401 10 0 AEAERO c1cc(NCc2cncs2)cc[nH+]1 131634929 343887065 /nfs/dbraw/zinc/88/70/65/343887065.db2.gz PRRVWFRBYIWGJF-UHFFFAOYSA-N 1 0 191.259 2.150 10 0 AEAERO CSCCC1([NH3+])CCCC1 131599017 343887079 /nfs/dbraw/zinc/88/70/79/343887079.db2.gz YZAKLUSGTGXISK-UHFFFAOYSA-N 1 0 159.298 2.011 10 0 AEAERO CCSCCCC1([NH3+])CC1 131634995 343887133 /nfs/dbraw/zinc/88/71/33/343887133.db2.gz UBEWQHAPHQDDQE-UHFFFAOYSA-N 1 0 159.298 2.011 10 0 AEAERO [NH3+][C@@H](Cc1ccco1)[C@H]1CCCS1 131725060 343887558 /nfs/dbraw/zinc/88/75/58/343887558.db2.gz JWULEKIBBFZVNN-VHSXEESVSA-N 1 0 197.303 2.045 10 0 AEAERO [NH3+][C@H](Cc1ccoc1)[C@@H]1CCCS1 131724007 343887566 /nfs/dbraw/zinc/88/75/66/343887566.db2.gz IPNWFNBBTINNPD-ZJUUUORDSA-N 1 0 197.303 2.045 10 0 AEAERO [NH3+][C@H](Cc1ccco1)[C@H]1CCCS1 131725249 343887632 /nfs/dbraw/zinc/88/76/32/343887632.db2.gz JWULEKIBBFZVNN-NXEZZACHSA-N 1 0 197.303 2.045 10 0 AEAERO [NH3+][C@@H](Cc1ccco1)[C@@H]1CCCS1 131724643 343887640 /nfs/dbraw/zinc/88/76/40/343887640.db2.gz JWULEKIBBFZVNN-UWVGGRQHSA-N 1 0 197.303 2.045 10 0 AEAERO Cc1ccncc1[C@@H]([NH3+])[C@H](C)C1CC1 131695464 343887664 /nfs/dbraw/zinc/88/76/64/343887664.db2.gz NMJIZWDZSJLCQV-SKDRFNHKSA-N 1 0 190.290 2.436 10 0 AEAERO [NH3+][C@@H](Cc1ccoc1)[C@H]1CCCS1 131724222 343887680 /nfs/dbraw/zinc/88/76/80/343887680.db2.gz IPNWFNBBTINNPD-VHSXEESVSA-N 1 0 197.303 2.045 10 0 AEAERO [NH3+][C@@H](Cc1ccoc1)[C@@H]1CCCS1 131723827 343887795 /nfs/dbraw/zinc/88/77/95/343887795.db2.gz IPNWFNBBTINNPD-UWVGGRQHSA-N 1 0 197.303 2.045 10 0 AEAERO [NH3+][C@H](Cc1ccoc1)[C@H]1CCCS1 131724427 343887882 /nfs/dbraw/zinc/88/78/82/343887882.db2.gz IPNWFNBBTINNPD-NXEZZACHSA-N 1 0 197.303 2.045 10 0 AEAERO Cc1ccncc1[C@H]([NH3+])[C@H](C)C1CC1 131695266 343887896 /nfs/dbraw/zinc/88/78/96/343887896.db2.gz NMJIZWDZSJLCQV-BXKDBHETSA-N 1 0 190.290 2.436 10 0 AEAERO Cc1ccncc1[C@H]([NH3+])[C@@H](C)C1CC1 131694831 343887905 /nfs/dbraw/zinc/88/79/05/343887905.db2.gz NMJIZWDZSJLCQV-JOYOIKCWSA-N 1 0 190.290 2.436 10 0 AEAERO C[C@H]1CCCCN1[C@H]1C[NH2+]C(C)(C)C1 131768439 343888139 /nfs/dbraw/zinc/88/81/39/343888139.db2.gz GXRCBJQROCAUEM-WDEREUQCSA-N 1 0 196.338 2.001 10 0 AEAERO CSCC[C@@]1([NH3+])CC[C@@H](C)C1 131770486 343888160 /nfs/dbraw/zinc/88/81/60/343888160.db2.gz PXZUNZKPQZBASH-BDAKNGLRSA-N 1 0 173.325 2.257 10 0 AEAERO CC1(C)C[C@H](N2CCCCCC2)C[NH2+]1 131770597 343888214 /nfs/dbraw/zinc/88/82/14/343888214.db2.gz GHQZQROEQFGJMP-NSHDSACASA-N 1 0 196.338 2.003 10 0 AEAERO CSCC[C@]1([NH3+])CC[C@H](C)C1 131771104 343888236 /nfs/dbraw/zinc/88/82/36/343888236.db2.gz PXZUNZKPQZBASH-DTWKUNHWSA-N 1 0 173.325 2.257 10 0 AEAERO CN(C1CCCC1)[C@@H]1C[NH2+]C(C)(C)C1 131759832 343888258 /nfs/dbraw/zinc/88/82/58/343888258.db2.gz MKLRUVXZKXIPGK-NSHDSACASA-N 1 0 196.338 2.001 10 0 AEAERO CSCC[C@]1([NH3+])CC[C@@H](C)C1 131770885 343888295 /nfs/dbraw/zinc/88/82/95/343888295.db2.gz PXZUNZKPQZBASH-RKDXNWHRSA-N 1 0 173.325 2.257 10 0 AEAERO CSCC[C@@]1([NH3+])CC[C@H](C)C1 131770682 343888299 /nfs/dbraw/zinc/88/82/99/343888299.db2.gz PXZUNZKPQZBASH-IUCAKERBSA-N 1 0 173.325 2.257 10 0 AEAERO CC1(C)C[C@@H](N2CCCCCC2)C[NH2+]1 131770771 343888384 /nfs/dbraw/zinc/88/83/84/343888384.db2.gz GHQZQROEQFGJMP-LLVKDONJSA-N 1 0 196.338 2.003 10 0 AEAERO C[C@@H]1CCCCN1[C@H]1C[NH2+]C(C)(C)C1 131768248 343888415 /nfs/dbraw/zinc/88/84/15/343888415.db2.gz GXRCBJQROCAUEM-GHMZBOCLSA-N 1 0 196.338 2.001 10 0 AEAERO CN(C1CCCC1)[C@H]1C[NH2+]C(C)(C)C1 131760001 343888436 /nfs/dbraw/zinc/88/84/36/343888436.db2.gz MKLRUVXZKXIPGK-LLVKDONJSA-N 1 0 196.338 2.001 10 0 AEAERO CC(C)[C@@H](C)N(C)[C@H]1C[NH2+]C(C)(C)C1 131782336 343888736 /nfs/dbraw/zinc/88/87/36/343888736.db2.gz QMAZLKZMPOWLRP-GHMZBOCLSA-N 1 0 198.354 2.103 10 0 AEAERO CN(CC(C)(C)C)[C@H]1C[NH2+]C(C)(C)C1 131805735 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191.278 2.183 10 0 AEAERO CCC[C@@H]1C[C@@]1([NH3+])c1ccncc1C 133048018 343911041 /nfs/dbraw/zinc/91/10/41/343911041.db2.gz HKTQDYNMQXCJFH-PWSUYJOCSA-N 1 0 190.290 2.364 10 0 AEAERO CCC[C@H]1C[C@]1([NH3+])c1ccncc1C 133047778 343911161 /nfs/dbraw/zinc/91/11/61/343911161.db2.gz HKTQDYNMQXCJFH-CMPLNLGQSA-N 1 0 190.290 2.364 10 0 AEAERO CCC[C@@H]1C[C@]1([NH3+])c1ccncc1C 133047570 343911166 /nfs/dbraw/zinc/91/11/66/343911166.db2.gz HKTQDYNMQXCJFH-ZYHUDNBSSA-N 1 0 190.290 2.364 10 0 AEAERO C[C@H](C[N@@H+]1CCC(=O)C[C@H]1C)C1CC1 133098635 343911868 /nfs/dbraw/zinc/91/18/68/343911868.db2.gz AHKLKXISNOAGPC-NXEZZACHSA-N 1 0 195.306 2.086 10 0 AEAERO CC[C@H]([NH2+]C)c1occc1C 133108811 343911922 /nfs/dbraw/zinc/91/19/22/343911922.db2.gz GMVDKRDPAIKGEW-QMMMGPOBSA-N 1 0 153.225 2.259 10 0 AEAERO C[C@H](C[N@@H+]1CCC(=O)C[C@@H]1C)C1CC1 133098823 343912056 /nfs/dbraw/zinc/91/20/56/343912056.db2.gz AHKLKXISNOAGPC-ZJUUUORDSA-N 1 0 195.306 2.086 10 0 AEAERO Cc1cncc([C@@H]([NH3+])[C@@H](C)C2CC2)c1 133153442 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133365524 343917258 /nfs/dbraw/zinc/91/72/58/343917258.db2.gz PGMDBLHGCUZBOH-DTWKUNHWSA-N 1 0 173.300 2.046 10 0 AEAERO COC[C@H](C)[NH2+][C@@H](C)C(C)(C)C 133365106 343917361 /nfs/dbraw/zinc/91/73/61/343917361.db2.gz PGMDBLHGCUZBOH-IUCAKERBSA-N 1 0 173.300 2.046 10 0 AEAERO COC[C@@H](C)[NH2+][C@@H](C)C(C)(C)C 133365342 343917409 /nfs/dbraw/zinc/91/74/09/343917409.db2.gz PGMDBLHGCUZBOH-BDAKNGLRSA-N 1 0 173.300 2.046 10 0 AEAERO COC[C@@H](C)[NH2+][C@H](C)C(C)(C)C 133365721 343917413 /nfs/dbraw/zinc/91/74/13/343917413.db2.gz PGMDBLHGCUZBOH-RKDXNWHRSA-N 1 0 173.300 2.046 10 0 AEAERO C[C@@H]1CC([NH2+]C2CCC2)C[C@@H](C)O1 133389360 343917751 /nfs/dbraw/zinc/91/77/51/343917751.db2.gz QAXZOUBDHJVEBV-RKDXNWHRSA-N 1 0 183.295 2.085 10 0 AEAERO C[C@H]1CC([NH2+]C2CCC2)C[C@H](C)O1 133389175 343917802 /nfs/dbraw/zinc/91/78/02/343917802.db2.gz QAXZOUBDHJVEBV-IUCAKERBSA-N 1 0 183.295 2.085 10 0 AEAERO C[C@@H]1CCC[C@H]1NOC(C)(C)C 133413927 343918046 /nfs/dbraw/zinc/91/80/46/343918046.db2.gz 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10 0 AEAERO Cc1[nH+]c2n(c1C)C[C@@H](C)CC2 135907994 343971574 /nfs/dbraw/zinc/97/15/74/343971574.db2.gz FQGNANJMAPHUDL-ZETCQYMHSA-N 1 0 164.252 2.082 10 0 AEAERO Cc1[nH+]c2n(c1C)[C@@H](C)CCC2 135912607 343971621 /nfs/dbraw/zinc/97/16/21/343971621.db2.gz RDKCMHDZABRQAU-ZETCQYMHSA-N 1 0 164.252 2.397 10 0 AEAERO Cc1[nH+]c2n(c1C)[C@H](C)CCC2 135912637 343971760 /nfs/dbraw/zinc/97/17/60/343971760.db2.gz RDKCMHDZABRQAU-SSDOTTSWSA-N 1 0 164.252 2.397 10 0 AEAERO CCc1c[nH+]c2n1[C@@H](C)CCC2 135912558 343971776 /nfs/dbraw/zinc/97/17/76/343971776.db2.gz LTMUGWUWJJRIJM-QMMMGPOBSA-N 1 0 164.252 2.343 10 0 AEAERO Cc1[nH+]c2n(c1C)C[C@H](C)CC2 135908022 343971813 /nfs/dbraw/zinc/97/18/13/343971813.db2.gz FQGNANJMAPHUDL-SSDOTTSWSA-N 1 0 164.252 2.082 10 0 AEAERO Cc1c[nH+]c2n1[C@@H](C)CCC2 135911828 343971867 /nfs/dbraw/zinc/97/18/67/343971867.db2.gz JZUYHAUDFFDELX-ZETCQYMHSA-N 1 0 150.225 2.089 10 0 AEAERO CCc1c[nH+]c2n1[C@H](C)CCC2 135912524 343971882 /nfs/dbraw/zinc/97/18/82/343971882.db2.gz LTMUGWUWJJRIJM-MRVPVSSYSA-N 1 0 164.252 2.343 10 0 AEAERO C/C=C(\C)[NH+]1CCCC1 136071226 343974272 /nfs/dbraw/zinc/97/42/72/343974272.db2.gz CIKKMJYNIZDBQR-FPYGCLRLSA-N 1 0 125.215 2.006 10 0 AEAERO CC[C@@H]1CC[C@H](C)N1C(=[NH2+])NC(C)C 136227747 343977602 /nfs/dbraw/zinc/97/76/02/343977602.db2.gz KPNFGVDHNHLJQQ-VHSXEESVSA-N 1 0 197.326 2.182 10 0 AEAERO CC[C@H]1CC[C@H](C)N1C(=[NH2+])NC(C)C 136227790 343977696 /nfs/dbraw/zinc/97/76/96/343977696.db2.gz KPNFGVDHNHLJQQ-UWVGGRQHSA-N 1 0 197.326 2.182 10 0 AEAERO CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@@H](C)C(C)=O 136300325 343978937 /nfs/dbraw/zinc/97/89/37/343978937.db2.gz JCBUWDUWTMNDOY-WCABBAIRSA-N 1 0 183.295 2.227 10 0 AEAERO CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H](C)C(C)=O 136300228 343979125 /nfs/dbraw/zinc/97/91/25/343979125.db2.gz JCBUWDUWTMNDOY-ATZCPNFKSA-N 1 0 183.295 2.227 10 0 AEAERO CCCC(C)(C)[NH2+]Cc1nccn1C 136360259 343980189 /nfs/dbraw/zinc/98/01/89/343980189.db2.gz WOHVTNDKOZPHGD-UHFFFAOYSA-N 1 0 195.310 2.088 10 0 AEAERO CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H](C)[C@@H](C)O 136403911 343981044 /nfs/dbraw/zinc/98/10/44/343981044.db2.gz DFWVHAOWNSGXQX-UKKRHICBSA-N 1 0 185.311 2.019 10 0 AEAERO CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[C@@H]1O 136404090 343981108 /nfs/dbraw/zinc/98/11/08/343981108.db2.gz QKMWHRZYYVCCEU-QCNOEVLYSA-N 1 0 197.322 2.163 10 0 AEAERO CCOC(=N)CC(=O)C(C)(C)C 136672281 343981862 /nfs/dbraw/zinc/98/18/62/343981862.db2.gz MLZDORFFFAAPRK-UHFFFAOYSA-N 1 0 171.240 2.005 10 0 AEAERO N#[N+]c1c2[nH]onc-2c(Cl)cc1=O 137122950 343983693 /nfs/dbraw/zinc/98/36/93/343983693.db2.gz REJBCFWIWHAGNU-UHFFFAOYSA-O 1 0 197.561 2.066 10 0 AEAERO CCC(C)(C)[C@@H](C)C[NH3+] 137182697 343984091 /nfs/dbraw/zinc/98/40/91/343984091.db2.gz JJGZRVKRVJNXLW-ZETCQYMHSA-N 1 0 129.247 2.017 10 0 AEAERO CCC(C)(C)[C@H](C)C[NH3+] 137182746 343984206 /nfs/dbraw/zinc/98/42/06/343984206.db2.gz JJGZRVKRVJNXLW-SSDOTTSWSA-N 1 0 129.247 2.017 10 0 AEAERO C[C@@H]1CC(N)=[NH+]N1C1CCCCCC1 137412351 343985614 /nfs/dbraw/zinc/98/56/14/343985614.db2.gz HLNIJWCQZYCONH-SECBINFHSA-N 1 0 195.310 2.076 10 0 AEAERO Cc1cccc(C2=CCC[NH2+]C2)c1 138436380 343989013 /nfs/dbraw/zinc/98/90/13/343989013.db2.gz VKJFJLZWSYANBG-UHFFFAOYSA-N 1 0 173.259 2.372 10 0 AEAERO [NH3+]CCn1cccc1-c1ccccc1 138402022 343989073 /nfs/dbraw/zinc/98/90/73/343989073.db2.gz VMAKRJYVDYLJSZ-UHFFFAOYSA-N 1 0 186.258 2.114 10 0 AEAERO C[NH2+]C/C=C\c1ccc2ncccc2c1 138546038 343989551 /nfs/dbraw/zinc/98/95/51/343989551.db2.gz UZXJBMUSTQCJKB-RQOWECAXSA-N 1 0 198.269 2.467 10 0 AEAERO CCCCC[NH+]1CCN(C(C)C)CC1 138852401 343991102 /nfs/dbraw/zinc/99/11/02/343991102.db2.gz FREVMTTYHMPVMT-UHFFFAOYSA-N 1 0 198.354 2.203 10 0 AEAERO Nc1cc[nH+]cc1NC1CCCC1 140016100 343997290 /nfs/dbraw/zinc/99/72/90/343997290.db2.gz RQJGBQZEKYJZKJ-UHFFFAOYSA-N 1 0 177.251 2.018 10 0 AEAERO Cc1ccc2c([nH+]1)N[C@@H](C)CC2 140233181 343998738 /nfs/dbraw/zinc/99/87/38/343998738.db2.gz MGSNVJSNCFCATO-QMMMGPOBSA-N 1 0 162.236 2.137 10 0 AEAERO Cc1ccc2c([nH+]1)N[C@H](C)CC2 140233041 343998745 /nfs/dbraw/zinc/99/87/45/343998745.db2.gz MGSNVJSNCFCATO-MRVPVSSYSA-N 1 0 162.236 2.137 10 0 AEAERO Clc1cccc(C2=[NH+]CCCN2)c1 140256094 343999134 /nfs/dbraw/zinc/99/91/34/343999134.db2.gz FQZIJXYBVUGIGQ-UHFFFAOYSA-N 1 0 194.665 2.080 10 0 AEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](C)C1 140383843 344000042 /nfs/dbraw/zinc/00/00/42/344000042.db2.gz VCSPXNBMVYUKCO-DJLDLDEBSA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 140384155 344000084 /nfs/dbraw/zinc/00/00/84/344000084.db2.gz VCSPXNBMVYUKCO-YIZRAAEISA-N 1 0 141.258 2.160 10 0 AEAERO [NH3+][C@]1(c2ccccc2)CC[C@H]2C[C@H]21 140836906 344002142 /nfs/dbraw/zinc/00/21/42/344002142.db2.gz PFULOMVSVPZYJF-WCQGTBRESA-N 1 0 173.259 2.271 10 0 AEAERO C[C@H]1C[C@H](C)CC[C@@H]1C[NH3+] 141139633 344003524 /nfs/dbraw/zinc/00/35/24/344003524.db2.gz AOFFWPABORXTOB-HRDYMLBCSA-N 1 0 141.258 2.017 10 0 AEAERO C[C@H]1C[C@H](C)CC[C@H]1C[NH3+] 141139247 344003761 /nfs/dbraw/zinc/00/37/61/344003761.db2.gz AOFFWPABORXTOB-VGMNWLOBSA-N 1 0 141.258 2.017 10 0 AEAERO Cc1cc(O)cc2ccncc12 141489628 344006114 /nfs/dbraw/zinc/00/61/14/344006114.db2.gz BTIABXGGTUTFTL-UHFFFAOYSA-N 1 0 159.188 2.249 10 0 AEAERO C[C@H]1CC[C@@H](C)C[C@@H]1C[NH3+] 141477914 344006162 /nfs/dbraw/zinc/00/61/62/344006162.db2.gz CAEBGWOHTQCCTA-HRDYMLBCSA-N 1 0 141.258 2.017 10 0 AEAERO C[C@@H]1CC[C@@H](C)[C@@H](C[NH3+])C1 141477522 344006371 /nfs/dbraw/zinc/00/63/71/344006371.db2.gz CAEBGWOHTQCCTA-IWSPIJDZSA-N 1 0 141.258 2.017 10 0 AEAERO Cc1cc(Nn2cccc2)cc[nH+]1 141582200 344006713 /nfs/dbraw/zinc/00/67/13/344006713.db2.gz KFFUOZFGWKGRRL-UHFFFAOYSA-N 1 0 173.219 2.067 10 0 AEAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1CCCCC1 141657653 344007157 /nfs/dbraw/zinc/00/71/57/344007157.db2.gz YHUQETQCCHXZCU-NWDGAFQWSA-N 1 0 196.338 2.003 10 0 AEAERO C[C@H]([C@H]1CCCC[NH2+]1)N1CCCCC1 141657854 344007314 /nfs/dbraw/zinc/00/73/14/344007314.db2.gz YHUQETQCCHXZCU-VXGBXAGGSA-N 1 0 196.338 2.003 10 0 AEAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1CCCCC1 141657468 344007445 /nfs/dbraw/zinc/00/74/45/344007445.db2.gz YHUQETQCCHXZCU-NEPJUHHUSA-N 1 0 196.338 2.003 10 0 AEAERO C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 142101373 344010217 /nfs/dbraw/zinc/01/02/17/344010217.db2.gz FUGSXPUAFNLTQH-JTQLQIEISA-N 1 0 179.238 2.245 10 0 AEAERO C[C@H]([NH3+])c1ccc(C(C)(C)C)nc1 142133422 344010382 /nfs/dbraw/zinc/01/03/82/344010382.db2.gz XWOYHZILMRKZMH-QMMMGPOBSA-N 1 0 178.279 2.399 10 0 AEAERO C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 142101615 344010402 /nfs/dbraw/zinc/01/04/02/344010402.db2.gz FUGSXPUAFNLTQH-SNVBAGLBSA-N 1 0 179.238 2.245 10 0 AEAERO NC(=[NH2+])c1cc2cscc2s1 142248485 344011344 /nfs/dbraw/zinc/01/13/44/344011344.db2.gz PLLMOYPKYGATTN-UHFFFAOYSA-N 1 0 182.273 2.247 10 0 AEAERO CC(=O)CCc1c[nH]c2cc[nH+]cc12 142413848 344012368 /nfs/dbraw/zinc/01/23/68/344012368.db2.gz AJFWBQKKIISXNH-UHFFFAOYSA-N 1 0 188.230 2.085 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1ccsc1 142690060 344013909 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344055174 /nfs/dbraw/zinc/05/51/74/344055174.db2.gz UPKUNWHLYBLVEZ-NWDGAFQWSA-N 1 0 175.275 2.292 10 0 AEAERO Cc1cc(C)cc([C@]2(C)C[C@@H]2[NH3+])c1 148501809 344055334 /nfs/dbraw/zinc/05/53/34/344055334.db2.gz UPKUNWHLYBLVEZ-RYUDHWBXSA-N 1 0 175.275 2.292 10 0 AEAERO Cc1cc(C)cc([C@@]2(C)C[C@H]2[NH3+])c1 148502417 344055390 /nfs/dbraw/zinc/05/53/90/344055390.db2.gz UPKUNWHLYBLVEZ-VXGBXAGGSA-N 1 0 175.275 2.292 10 0 AEAERO CC(C)[C@H]1COCC[N@@H+]1C(C)(C)C 148599671 344056344 /nfs/dbraw/zinc/05/63/44/344056344.db2.gz OOMRBOCIVPUKTG-SNVBAGLBSA-N 1 0 185.311 2.142 10 0 AEAERO C[C@H]1CC[C@@H](C[NH2+]C2(C)CCCC2)O1 148629291 344057006 /nfs/dbraw/zinc/05/70/06/344057006.db2.gz XXUXWZMDUOXEAW-QWRGUYRKSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@H]1CC[C@H](C[NH2+]C2(C)CCCC2)O1 148628943 344057179 /nfs/dbraw/zinc/05/71/79/344057179.db2.gz XXUXWZMDUOXEAW-WDEREUQCSA-N 1 0 197.322 2.476 10 0 AEAERO C[C@@H]1CC[C@@H](C[NH2+]C2(C)CCCC2)O1 148629123 344057261 /nfs/dbraw/zinc/05/72/61/344057261.db2.gz 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229357010 344592332 /nfs/dbraw/zinc/59/23/32/344592332.db2.gz RAYYEMUTSQGZQQ-GHMZBOCLSA-N 1 0 185.311 2.190 10 0 AEAERO CCC1(CC)C[NH2+][C@@H](C)[C@H](C)CO1 229360614 344592477 /nfs/dbraw/zinc/59/24/77/344592477.db2.gz CMXXDIOLIZQBNZ-ZJUUUORDSA-N 1 0 185.311 2.190 10 0 AEAERO CC(C)[C@H]1CO[C@](C)(C(C)C)C[NH2+]1 229357896 344592478 /nfs/dbraw/zinc/59/24/78/344592478.db2.gz NRZVBBZOGKHBEC-MNOVXSKESA-N 1 0 185.311 2.046 10 0 AEAERO CC(C)[C@]1(C)C[NH2+][C@H](C)C[C@@H](C)O1 229360413 344592502 /nfs/dbraw/zinc/59/25/02/344592502.db2.gz LDOKDTRXFSSFDU-MXWKQRLJSA-N 1 0 185.311 2.188 10 0 AEAERO CCC1(CC)C[NH2+]C[C@H](C(C)C)O1 229360755 344592505 /nfs/dbraw/zinc/59/25/05/344592505.db2.gz DHJUMGABLCIMKI-SNVBAGLBSA-N 1 0 185.311 2.190 10 0 AEAERO CC(C)[C@@]1(C)C[NH2+]CC(C)(C)CO1 229359958 344592540 /nfs/dbraw/zinc/59/25/40/344592540.db2.gz SCYGBYLKCKSTOL-LLVKDONJSA-N 1 0 185.311 2.047 10 0 AEAERO CC(C)[C@@H]1C[NH2+]C[C@@](C)(C(C)C)O1 229360726 344592542 /nfs/dbraw/zinc/59/25/42/344592542.db2.gz 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CC[C@@H]1CCC[C@]1([NH3+])C(F)F 229667568 344610461 /nfs/dbraw/zinc/61/04/61/344610461.db2.gz UEEQRJXTNVPWRZ-HTRCEHHLSA-N 1 0 163.211 2.159 10 0 AEAERO CC[C@@H]1CCC/C1=C/C[NH3+] 229667930 344610476 /nfs/dbraw/zinc/61/04/76/344610476.db2.gz UIYMMBBBOARSPT-WSQKDGNHSA-N 1 0 139.242 2.082 10 0 AEAERO CC[C@@H]1CCC/C1=C\CC[NH3+] 229667948 344610489 /nfs/dbraw/zinc/61/04/89/344610489.db2.gz VFGAMRDICXTWIA-YIXGCBLDSA-N 1 0 153.269 2.472 10 0 AEAERO CC[C@@H]1CCC/C1=C/CC[NH3+] 229667958 344610496 /nfs/dbraw/zinc/61/04/96/344610496.db2.gz VFGAMRDICXTWIA-SBMLRHLQSA-N 1 0 153.269 2.472 10 0 AEAERO CC[C@H]1CCC/C1=C\CC[NH3+] 229667964 344610521 /nfs/dbraw/zinc/61/05/21/344610521.db2.gz VFGAMRDICXTWIA-HZAKCSEPSA-N 1 0 153.269 2.472 10 0 AEAERO CC[C@H]1CCC[C@]1([NH3+])C(F)F 229667573 344610530 /nfs/dbraw/zinc/61/05/30/344610530.db2.gz UEEQRJXTNVPWRZ-POYBYMJQSA-N 1 0 163.211 2.159 10 0 AEAERO CC[C@H]1CCC/C1=C/CC[NH3+] 229667970 344610560 /nfs/dbraw/zinc/61/05/60/344610560.db2.gz 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Cc1csc([C@](C)([NH3+])CC2CC2)n1 229733350 344612998 /nfs/dbraw/zinc/61/29/98/344612998.db2.gz DWKLQBNANLRNFB-SNVBAGLBSA-N 1 0 196.319 2.426 10 0 AEAERO CC(C)=C[C@H]([NH3+])[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 229746408 344613421 /nfs/dbraw/zinc/61/34/21/344613421.db2.gz NBCMLRILOFGGHN-DGORSVRFSA-N 1 0 197.322 2.339 10 0 AEAERO C[C@@](O)(CC1CCC1)[C@H]1CCCC[NH2+]1 229739829 344613427 /nfs/dbraw/zinc/61/34/27/344613427.db2.gz URXAANGUOCUUEP-VXGBXAGGSA-N 1 0 197.322 2.070 10 0 AEAERO CC(C)=C[C@H]([NH3+])[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 229746414 344613453 /nfs/dbraw/zinc/61/34/53/344613453.db2.gz NBCMLRILOFGGHN-GCHJQGSQSA-N 1 0 197.322 2.339 10 0 AEAERO C[C@@](O)(CC1CCC1)[C@@H]1CCCC[NH2+]1 229739815 344613475 /nfs/dbraw/zinc/61/34/75/344613475.db2.gz URXAANGUOCUUEP-NWDGAFQWSA-N 1 0 197.322 2.070 10 0 AEAERO C[C@@H]1CSC(NCC2CC2)=[NH+][C@@H]1C 229744159 344613482 /nfs/dbraw/zinc/61/34/82/344613482.db2.gz DEWXGAQLNDZNOG-HTQZYQBOSA-N 1 0 198.335 2.113 10 0 AEAERO CC(C)C[C@](C)(O)[C@H]1C[C@@H](C)CC[NH2+]1 229742994 344613514 /nfs/dbraw/zinc/61/35/14/344613514.db2.gz UKLKJCPVZNSHQQ-TUAOUCFPSA-N 1 0 199.338 2.172 10 0 AEAERO CCCNC1=[NH+][C@H](C)[C@H](C)CS1 229743711 344613518 /nfs/dbraw/zinc/61/35/18/344613518.db2.gz ISFSVBCNTNFFDC-HTQZYQBOSA-N 1 0 186.324 2.113 10 0 AEAERO CC(C)C[C@](C)(O)[C@@H]1C[C@@H](C)CC[NH2+]1 229742983 344613591 /nfs/dbraw/zinc/61/35/91/344613591.db2.gz UKLKJCPVZNSHQQ-SRVKXCTJSA-N 1 0 199.338 2.172 10 0 AEAERO C[C@](O)(CC1CCC1)[C@H]1CCCC[NH2+]1 229739838 344613600 /nfs/dbraw/zinc/61/36/00/344613600.db2.gz URXAANGUOCUUEP-NEPJUHHUSA-N 1 0 197.322 2.070 10 0 AEAERO C[C@](O)(CC1CCC1)[C@@H]1CCCC[NH2+]1 229739822 344613642 /nfs/dbraw/zinc/61/36/42/344613642.db2.gz URXAANGUOCUUEP-RYUDHWBXSA-N 1 0 197.322 2.070 10 0 AEAERO CCCNC1=[NH+][C@H](C)[C@@H](C)CS1 229743696 344613644 /nfs/dbraw/zinc/61/36/44/344613644.db2.gz ISFSVBCNTNFFDC-JGVFFNPUSA-N 1 0 186.324 2.113 10 0 AEAERO C[C@@H]1CSC(NCC2CC2)=[NH+][C@H]1C 229744171 344613652 /nfs/dbraw/zinc/61/36/52/344613652.db2.gz DEWXGAQLNDZNOG-SFYZADRCSA-N 1 0 198.335 2.113 10 0 AEAERO C[C@H]1CS[C@](C)(CC2CC2)[NH2+]1 229753281 344613885 /nfs/dbraw/zinc/61/38/85/344613885.db2.gz DRACOBAVKWFYIZ-IONNQARKSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@@H]1C[NH2+][C@@](C)(CC2CC2)S1 229753196 344613914 /nfs/dbraw/zinc/61/39/14/344613914.db2.gz ZCZIBQGQLABEGV-VXNVDRBHSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@H]1C[NH2+][C@@](C)(CC2CC2)S1 229753205 344613941 /nfs/dbraw/zinc/61/39/41/344613941.db2.gz ZCZIBQGQLABEGV-IONNQARKSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@]1(CC2CCC2)[NH2+]CCS1 229753141 344613984 /nfs/dbraw/zinc/61/39/84/344613984.db2.gz QRTDFIHMWGTPIH-VIFPVBQESA-N 1 0 171.309 2.229 10 0 AEAERO C[C@H]1CS[C@@](C)(CC2CC2)[NH2+]1 229753263 344613990 /nfs/dbraw/zinc/61/39/90/344613990.db2.gz DRACOBAVKWFYIZ-CBAPKCEASA-N 1 0 171.309 2.228 10 0 AEAERO C[C@@H]1CS[C@@](C)(CC2CC2)[NH2+]1 229753255 344614030 /nfs/dbraw/zinc/61/40/30/344614030.db2.gz DRACOBAVKWFYIZ-APPZFPTMSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@@]1(CC2CCC2)CC[NH2+]C1 229753073 344614063 /nfs/dbraw/zinc/61/40/63/344614063.db2.gz XHQWFEZCGNPHQU-JTQLQIEISA-N 1 0 153.269 2.176 10 0 AEAERO C[C@]1(CC2CCC2)CC[NH2+]C1 229753082 344614080 /nfs/dbraw/zinc/61/40/80/344614080.db2.gz XHQWFEZCGNPHQU-SNVBAGLBSA-N 1 0 153.269 2.176 10 0 AEAERO C[C@H]1C[NH2+][C@](C)(CC2CC2)S1 229753216 344614106 /nfs/dbraw/zinc/61/41/06/344614106.db2.gz ZCZIBQGQLABEGV-CBAPKCEASA-N 1 0 171.309 2.228 10 0 AEAERO C[C@@H]1C[NH2+][C@](C)(CC2CC2)S1 229753210 344614156 /nfs/dbraw/zinc/61/41/56/344614156.db2.gz ZCZIBQGQLABEGV-APPZFPTMSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@]1(CC2CCC2)C[C@@H]1C[NH3+] 229754625 344614392 /nfs/dbraw/zinc/61/43/92/344614392.db2.gz IUPRQGVMQRYZEW-ZJUUUORDSA-N 1 0 153.269 2.162 10 0 AEAERO C[C@@]1(CC2CCC2)C[C@H]1C[NH3+] 229754632 344614410 /nfs/dbraw/zinc/61/44/10/344614410.db2.gz IUPRQGVMQRYZEW-VHSXEESVSA-N 1 0 153.269 2.162 10 0 AEAERO CC[C@H]1C[N@@H+](C2CCCC2)CCC1=O 229754776 344614448 /nfs/dbraw/zinc/61/44/48/344614448.db2.gz NCIWKBHFGWIFPF-JTQLQIEISA-N 1 0 195.306 2.230 10 0 AEAERO C[C@@]1(CC2CC2)[NH2+]CCCS1 229753303 344614471 /nfs/dbraw/zinc/61/44/71/344614471.db2.gz PHRFVYSUYBPOHN-SECBINFHSA-N 1 0 171.309 2.229 10 0 AEAERO C[C@@]1(CC2CCC2)C[C@H]([NH3+])CCO1 229755562 344614487 /nfs/dbraw/zinc/61/44/87/344614487.db2.gz UJDZJVLJRHXKFZ-GHMZBOCLSA-N 1 0 183.295 2.073 10 0 AEAERO C/C(=C\C[NH3+])CC1CCC1 229755410 344614507 /nfs/dbraw/zinc/61/45/07/344614507.db2.gz ACWMKKBMAABUGV-VMPITWQZSA-N 1 0 139.242 2.082 10 0 AEAERO C[C@]([NH3+])(CC1CCC1)C(F)F 229755210 344614556 /nfs/dbraw/zinc/61/45/56/344614556.db2.gz NEALHBMDICPOOS-QMMMGPOBSA-N 1 0 163.211 2.159 10 0 AEAERO C[C@]1(CC2CCC2)C[C@H]([NH3+])CCO1 229755565 344614561 /nfs/dbraw/zinc/61/45/61/344614561.db2.gz UJDZJVLJRHXKFZ-MNOVXSKESA-N 1 0 183.295 2.073 10 0 AEAERO C[C@@]1(CC2CCC2)C[C@@H]([NH3+])CCO1 229755547 344614570 /nfs/dbraw/zinc/61/45/70/344614570.db2.gz UJDZJVLJRHXKFZ-WDEREUQCSA-N 1 0 183.295 2.073 10 0 AEAERO C[C@@]([NH3+])(CC1CCC1)C(F)F 229755205 344614585 /nfs/dbraw/zinc/61/45/85/344614585.db2.gz NEALHBMDICPOOS-MRVPVSSYSA-N 1 0 163.211 2.159 10 0 AEAERO CC[C@@H]1C[N@@H+](C2CCCC2)CCC1=O 229754766 344614611 /nfs/dbraw/zinc/61/46/11/344614611.db2.gz NCIWKBHFGWIFPF-SNVBAGLBSA-N 1 0 195.306 2.230 10 0 AEAERO C/C(=C/C[NH3+])CC1CCC1 229755416 344614660 /nfs/dbraw/zinc/61/46/60/344614660.db2.gz ACWMKKBMAABUGV-YVMONPNESA-N 1 0 139.242 2.082 10 0 AEAERO C[C@H]1C[NH2+][C@@](C)(CC2CC2)SC1 229753395 344614668 /nfs/dbraw/zinc/61/46/68/344614668.db2.gz KTHAYZWSEFWLPC-WCBMZHEXSA-N 1 0 185.336 2.475 10 0 AEAERO C[C@]1(CC2CC2)[NH2+]CCCS1 229753310 344614680 /nfs/dbraw/zinc/61/46/80/344614680.db2.gz PHRFVYSUYBPOHN-VIFPVBQESA-N 1 0 171.309 2.229 10 0 AEAERO C[C@]1(CC2CCC2)C[C@H]1C[NH3+] 229754640 344614691 /nfs/dbraw/zinc/61/46/91/344614691.db2.gz IUPRQGVMQRYZEW-UWVGGRQHSA-N 1 0 153.269 2.162 10 0 AEAERO C[C@@]1(CC2CCC2)C[C@@H]1C[NH3+] 229754618 344614716 /nfs/dbraw/zinc/61/47/16/344614716.db2.gz IUPRQGVMQRYZEW-NXEZZACHSA-N 1 0 153.269 2.162 10 0 AEAERO C[C@H]1C[NH2+][C@](C)(CC2CC2)SC1 229753408 344614728 /nfs/dbraw/zinc/61/47/28/344614728.db2.gz KTHAYZWSEFWLPC-WPRPVWTQSA-N 1 0 185.336 2.475 10 0 AEAERO C[C@@H]1C[NH2+][C@](C)(CC2CC2)SC1 229753402 344614753 /nfs/dbraw/zinc/61/47/53/344614753.db2.gz KTHAYZWSEFWLPC-SCZZXKLOSA-N 1 0 185.336 2.475 10 0 AEAERO C[C@H](CC1CC1)[C@H]1CC[NH2+]C1 229756570 344614905 /nfs/dbraw/zinc/61/49/05/344614905.db2.gz XCWDSGPUVMTGJR-SCZZXKLOSA-N 1 0 153.269 2.032 10 0 AEAERO C[C@@H](CC1CC1)[C@@H]1CC[NH2+]C1 229756550 344615141 /nfs/dbraw/zinc/61/51/41/344615141.db2.gz XCWDSGPUVMTGJR-WCBMZHEXSA-N 1 0 153.269 2.032 10 0 AEAERO CC[C@H]1C[N@H+](CC2CCC2)CCC1=O 229759785 344615014 /nfs/dbraw/zinc/61/50/14/344615014.db2.gz GXKNSQPWKMQUFA-NSHDSACASA-N 1 0 195.306 2.088 10 0 AEAERO C[C@H]([NH3+])[C@H](C)CC1CCC1 229763060 344615029 /nfs/dbraw/zinc/61/50/29/344615029.db2.gz FCQPZUKCXRSTMH-SFYZADRCSA-N 1 0 141.258 2.160 10 0 AEAERO C[C@H](CC1CC1)[C@@H]1CC[NH2+]C1 229756557 344615040 /nfs/dbraw/zinc/61/50/40/344615040.db2.gz XCWDSGPUVMTGJR-PSASIEDQSA-N 1 0 153.269 2.032 10 0 AEAERO CC[C@@H]1C[N@H+](CC2CCC2)CCC1=O 229759778 344615175 /nfs/dbraw/zinc/61/51/75/344615175.db2.gz GXKNSQPWKMQUFA-LLVKDONJSA-N 1 0 195.306 2.088 10 0 AEAERO C[C@H]1C[NH2+]CC[C@]1(C)CC1CC1 229771042 344615458 /nfs/dbraw/zinc/61/54/58/344615458.db2.gz YSRXMDIMECGCRR-GXSJLCMTSA-N 1 0 167.296 2.422 10 0 AEAERO C[C@H]1C[NH2+]CC[C@@]1(C)CC1CC1 229771029 344615448 /nfs/dbraw/zinc/61/54/48/344615448.db2.gz YSRXMDIMECGCRR-ONGXEEELSA-N 1 0 167.296 2.422 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@@]1(C)CC1CC1 229771021 344615462 /nfs/dbraw/zinc/61/54/62/344615462.db2.gz YSRXMDIMECGCRR-KOLCDFICSA-N 1 0 167.296 2.422 10 0 AEAERO [NH2+]=C1CCCN1C1(C(F)(F)F)CC1 229770011 344615550 /nfs/dbraw/zinc/61/55/50/344615550.db2.gz QSAGUZIJERJTSC-UHFFFAOYSA-N 1 0 192.184 2.154 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@]1(C)CC1CC1 229771036 344615713 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344621099 /nfs/dbraw/zinc/62/10/99/344621099.db2.gz XXRDUHROECCEIO-UHFFFAOYSA-N 1 0 190.699 2.162 10 0 AEAERO CC[C@H](C)[C@@]1(O)C[C@@H](C)[N@@H+](C2CC2)C1 229948113 344621250 /nfs/dbraw/zinc/62/12/50/344621250.db2.gz HKYKNZXXOZJOMT-HOSYDEDBSA-N 1 0 197.322 2.020 10 0 AEAERO CC[C@H](C)[C@]1(O)C[C@@H](C)[N@@H+](C2CC2)C1 229948123 344621349 /nfs/dbraw/zinc/62/13/49/344621349.db2.gz HKYKNZXXOZJOMT-UMNHJUIQSA-N 1 0 197.322 2.020 10 0 AEAERO Clc1ccsc1C1=CC[NH2+]C1 229948082 344621356 /nfs/dbraw/zinc/62/13/56/344621356.db2.gz OPGIQDPTRPBIDZ-UHFFFAOYSA-N 1 0 185.679 2.388 10 0 AEAERO [NH3+]C[C@@H](F)c1sccc1Cl 229955708 344621562 /nfs/dbraw/zinc/62/15/62/344621562.db2.gz ULNGRMWAXVZLJA-RXMQYKEDSA-N 1 0 179.647 2.371 10 0 AEAERO CC[C@H]1C[NH+]=C(NC(C)(C)C)S1 229998327 344622897 /nfs/dbraw/zinc/62/28/97/344622897.db2.gz DFHADEUSWCJUOY-ZETCQYMHSA-N 1 0 186.324 2.256 10 0 AEAERO CC[C@H]1C[NH+]=C(NCC(C)C)S1 229998471 344623039 /nfs/dbraw/zinc/62/30/39/344623039.db2.gz OCHAMBVYNJTWLD-QMMMGPOBSA-N 1 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/nfs/dbraw/zinc/62/32/34/344623234.db2.gz UIFCBDQJFDOENJ-MRVPVSSYSA-N 1 0 184.308 2.010 10 0 AEAERO CC[C@H]1C[NH+]=C(NC2CC(C)C2)S1 230011213 344623377 /nfs/dbraw/zinc/62/33/77/344623377.db2.gz MBLHXDCFNYCNTF-HACHORDNSA-N 1 0 198.335 2.256 10 0 AEAERO CC[C@@H]1C[NH2+]C[C@@H](c2ccsc2)O1 230013210 344623366 /nfs/dbraw/zinc/62/33/66/344623366.db2.gz IWUXZPLLJLLNHO-ZJUUUORDSA-N 1 0 197.303 2.188 10 0 AEAERO CC(C)[C@@H]1C[NH+]=C(N[C@@H]2C[C@@H]2C)S1 230006409 344623372 /nfs/dbraw/zinc/62/33/72/344623372.db2.gz QJDKNLQOGIGTJU-YIZRAAEISA-N 1 0 198.335 2.112 10 0 AEAERO CC[C@H]1C[NH+]=C(NC2(C)CC2)S1 230011650 344623391 /nfs/dbraw/zinc/62/33/91/344623391.db2.gz WZVJEZKHZNLUBQ-ZETCQYMHSA-N 1 0 184.308 2.010 10 0 AEAERO CC[C@@H]1C[NH2+]C[C@H](c2ccsc2)O1 230012966 344623396 /nfs/dbraw/zinc/62/33/96/344623396.db2.gz IWUXZPLLJLLNHO-NXEZZACHSA-N 1 0 197.303 2.188 10 0 AEAERO CC[C@H]1C[NH2+]C[C@H](c2cccs2)O1 230013598 344623403 /nfs/dbraw/zinc/62/34/03/344623403.db2.gz DONPMLUCMVTVSA-DTWKUNHWSA-N 1 0 197.303 2.188 10 0 AEAERO CC[C@@H]1C[NH2+]C[C@@H](c2cccs2)O1 230013603 344623440 /nfs/dbraw/zinc/62/34/40/344623440.db2.gz DONPMLUCMVTVSA-BDAKNGLRSA-N 1 0 197.303 2.188 10 0 AEAERO CC(C)[C@@H]1C[NH+]=C(NC2CCC2)S1 230006372 344623470 /nfs/dbraw/zinc/62/34/70/344623470.db2.gz CKDHSLAYSGOIHC-VIFPVBQESA-N 1 0 198.335 2.256 10 0 AEAERO CC[C@@H]1C[NH+]=C(N[C@@H]2CC2(C)C)S1 230005683 344623523 /nfs/dbraw/zinc/62/35/23/344623523.db2.gz QMJIWBJXBRLMHH-HTQZYQBOSA-N 1 0 198.335 2.256 10 0 AEAERO CC[C@H]1C[NH2+]C[C@H](c2ccsc2)O1 230013206 344623528 /nfs/dbraw/zinc/62/35/28/344623528.db2.gz IWUXZPLLJLLNHO-VHSXEESVSA-N 1 0 197.303 2.188 10 0 AEAERO CC[C@@H]1C[NH2+]C[C@H](c2cccs2)O1 230013595 344623530 /nfs/dbraw/zinc/62/35/30/344623530.db2.gz DONPMLUCMVTVSA-RKDXNWHRSA-N 1 0 197.303 2.188 10 0 AEAERO CC[C@H]1C[NH2+]C[C@@H](c2ccsc2)O1 230013216 344623537 /nfs/dbraw/zinc/62/35/37/344623537.db2.gz IWUXZPLLJLLNHO-UWVGGRQHSA-N 1 0 197.303 2.188 10 0 AEAERO CC(C)[C@H]1C[NH+]=C(NC2(C)CC2)S1 230011658 344623539 /nfs/dbraw/zinc/62/35/39/344623539.db2.gz IDGXUAHRSJGYEX-MRVPVSSYSA-N 1 0 198.335 2.256 10 0 AEAERO CC[C@H]1C[NH+]=C(N[C@H]2CC2(C)C)S1 230005701 344623542 /nfs/dbraw/zinc/62/35/42/344623542.db2.gz QMJIWBJXBRLMHH-YUMQZZPRSA-N 1 0 198.335 2.256 10 0 AEAERO CC(C)[C@H]1C[NH2+]C[C@@H](C(C)(C)C)O1 230015066 344623733 /nfs/dbraw/zinc/62/37/33/344623733.db2.gz FHCZZAFXMVAQFR-ZJUUUORDSA-N 1 0 185.311 2.046 10 0 AEAERO CC(C)[C@@H]1C[NH2+]C[C@H](C(C)(C)C)O1 230015054 344623966 /nfs/dbraw/zinc/62/39/66/344623966.db2.gz FHCZZAFXMVAQFR-VHSXEESVSA-N 1 0 185.311 2.046 10 0 AEAERO CC(C)[C@@H]1C[NH2+]C[C@@H](C(C)(C)C)O1 230015062 344624001 /nfs/dbraw/zinc/62/40/01/344624001.db2.gz FHCZZAFXMVAQFR-UWVGGRQHSA-N 1 0 185.311 2.046 10 0 AEAERO CC(C)[C@H]1C[NH2+]C[C@H](C(C)(C)C)O1 230015059 344624080 /nfs/dbraw/zinc/62/40/80/344624080.db2.gz FHCZZAFXMVAQFR-NXEZZACHSA-N 1 0 185.311 2.046 10 0 AEAERO CC(C)C1=C[C@@H]([NH3+])CCCC1 230166537 344627424 /nfs/dbraw/zinc/62/74/24/344627424.db2.gz BCVWUSJTJLIRLR-JTQLQIEISA-N 1 0 153.269 2.470 10 0 AEAERO CCC1=C[C@H]([NH3+])CCCC1 230165863 344627523 /nfs/dbraw/zinc/62/75/23/344627523.db2.gz YGAOCBHVRWSTOA-SECBINFHSA-N 1 0 139.242 2.224 10 0 AEAERO C[C@H]1CC[C@@H](NC(=[NH2+])C2CC2)C1 230155026 344627629 /nfs/dbraw/zinc/62/76/29/344627629.db2.gz AYWULJACYVJIIH-IONNQARKSA-N 1 0 166.268 2.152 10 0 AEAERO [NH3+][C@H]1C=C(C2CC2)CCCC1 230169286 344627695 /nfs/dbraw/zinc/62/76/95/344627695.db2.gz RAODHUVHDAQSFV-SNVBAGLBSA-N 1 0 151.253 2.224 10 0 AEAERO [NH3+][C@@H]1C=C(C2CC2)CCCC1 230169283 344627733 /nfs/dbraw/zinc/62/77/33/344627733.db2.gz RAODHUVHDAQSFV-JTQLQIEISA-N 1 0 151.253 2.224 10 0 AEAERO C[C@@H]1CC[C@@H](NC(=[NH2+])C2CC2)C1 230155015 344627778 /nfs/dbraw/zinc/62/77/78/344627778.db2.gz AYWULJACYVJIIH-VXNVDRBHSA-N 1 0 166.268 2.152 10 0 AEAERO CC(C)C1=C[C@H]([NH3+])CCCC1 230166541 344627789 /nfs/dbraw/zinc/62/77/89/344627789.db2.gz BCVWUSJTJLIRLR-SNVBAGLBSA-N 1 0 153.269 2.470 10 0 AEAERO C[NH2+][C@H]1CCC12CCCCC2 230159410 344627809 /nfs/dbraw/zinc/62/78/09/344627809.db2.gz FYWCBOCCRYPZTR-VIFPVBQESA-N 1 0 153.269 2.319 10 0 AEAERO C[NH2+][C@@H]1CCC12CCCCC2 230159406 344627820 /nfs/dbraw/zinc/62/78/20/344627820.db2.gz FYWCBOCCRYPZTR-SECBINFHSA-N 1 0 153.269 2.319 10 0 AEAERO C[C@@H]1CC[NH2+]C[C@H]1OC1CCCCC1 230198302 344628805 /nfs/dbraw/zinc/62/88/05/344628805.db2.gz ILVWJIKDFYHUMW-ZYHUDNBSSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@]1(OCC2CCCC2)CCC[NH2+]C1 230199613 344628857 /nfs/dbraw/zinc/62/88/57/344628857.db2.gz KSCHTVKEVNZTIG-LBPRGKRZSA-N 1 0 197.322 2.335 10 0 AEAERO C[C@@H]1CC[NH2+]C[C@@H]1OC1CCCCC1 230198294 344628880 /nfs/dbraw/zinc/62/88/80/344628880.db2.gz ILVWJIKDFYHUMW-PWSUYJOCSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@]1(OCC2CCCC2)CCC[NH2+]C1 230199609 344628977 /nfs/dbraw/zinc/62/89/77/344628977.db2.gz KSCHTVKEVNZTIG-GFCCVEGCSA-N 1 0 197.322 2.335 10 0 AEAERO CCC1(CC)C[NH+]=C(NC)SC1 230199660 344629007 /nfs/dbraw/zinc/62/90/07/344629007.db2.gz ILXLLHXQMMUHST-UHFFFAOYSA-N 1 0 186.324 2.115 10 0 AEAERO C[C@H]1CC[NH2+]C[C@H]1OC1CCCCC1 230198307 344629123 /nfs/dbraw/zinc/62/91/23/344629123.db2.gz ILVWJIKDFYHUMW-CMPLNLGQSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1CC[NH2+]C[C@@H]1OC1CCCCC1 230198298 344629141 /nfs/dbraw/zinc/62/91/41/344629141.db2.gz ILVWJIKDFYHUMW-JQWIXIFHSA-N 1 0 197.322 2.334 10 0 AEAERO CCC1(CC)C[NH2+][C@@H](C)[C@H](C)OC1 230230707 344629271 /nfs/dbraw/zinc/62/92/71/344629271.db2.gz VZKWMANIYPOUOX-UWVGGRQHSA-N 1 0 185.311 2.190 10 0 AEAERO CCC1(CC)C[NH2+][C@@H](C)[C@@H](C)OC1 230230700 344629322 /nfs/dbraw/zinc/62/93/22/344629322.db2.gz VZKWMANIYPOUOX-VHSXEESVSA-N 1 0 185.311 2.190 10 0 AEAERO CCC1(CC)C[NH2+][C@H](C)[C@@H](C)OC1 230230703 344629438 /nfs/dbraw/zinc/62/94/38/344629438.db2.gz VZKWMANIYPOUOX-NXEZZACHSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@H](N)[C@@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1 230248293 344629456 /nfs/dbraw/zinc/62/94/56/344629456.db2.gz VBXFQRWNFFSJLB-HBNTYKKESA-N 1 0 198.354 2.090 10 0 AEAERO CCC1(CC)C[NH2+]CC(C)(C)OC1 230229233 344629494 /nfs/dbraw/zinc/62/94/94/344629494.db2.gz LHBHSCCQAOIWNY-UHFFFAOYSA-N 1 0 185.311 2.191 10 0 AEAERO CCC1(CC)C[NH2+][C@H](C)[C@H](C)OC1 230230712 344629499 /nfs/dbraw/zinc/62/94/99/344629499.db2.gz VZKWMANIYPOUOX-ZJUUUORDSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1 230248302 344629521 /nfs/dbraw/zinc/62/95/21/344629521.db2.gz VBXFQRWNFFSJLB-GARJFASQSA-N 1 0 198.354 2.090 10 0 AEAERO CC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1 230273599 344630378 /nfs/dbraw/zinc/63/03/78/344630378.db2.gz DRRDLTBEWIMHIU-MWLCHTKSSA-N 1 0 197.322 2.332 10 0 AEAERO CC(C)[C@@H]([NH3+])c1nc2c([nH]1)CC[C@@H]2C 230370042 344631892 /nfs/dbraw/zinc/63/18/92/344631892.db2.gz VGCONNMYOMSEPU-IONNQARKSA-N 1 0 193.294 2.115 10 0 AEAERO CC(C)[C@@H]([NH3+])c1nc2c([nH]1)CC[C@H]2C 230370048 344632121 /nfs/dbraw/zinc/63/21/21/344632121.db2.gz VGCONNMYOMSEPU-VXNVDRBHSA-N 1 0 193.294 2.115 10 0 AEAERO [NH3+][C@@H]1CCC[C@H](O[C@@H]2C=CCCC2)C1 230360787 344632176 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AEAERO C[NH2+][C@@H](c1cc(C)nc(C)c1)C1CC1 231663478 344656402 /nfs/dbraw/zinc/65/64/02/344656402.db2.gz FODHQMCEZRCSTH-GFCCVEGCSA-N 1 0 190.290 2.369 10 0 AEAERO C[NH2+][C@H](c1cc(C)nc(C)c1)C1CC1 231663482 344656496 /nfs/dbraw/zinc/65/64/96/344656496.db2.gz FODHQMCEZRCSTH-LBPRGKRZSA-N 1 0 190.290 2.369 10 0 AEAERO Cc1cc([C@@H]([NH3+])C(C)C)cc(C)n1 231661216 344656531 /nfs/dbraw/zinc/65/65/31/344656531.db2.gz TTYPVDSOJHIEOA-NSHDSACASA-N 1 0 178.279 2.354 10 0 AEAERO Cc1cc([C@H]([NH3+])C2CC2)cc(C)n1 231660320 344656546 /nfs/dbraw/zinc/65/65/46/344656546.db2.gz STLZAGNGAPOVGP-LLVKDONJSA-N 1 0 176.263 2.108 10 0 AEAERO Cc1cc([C@@H]([NH3+])C2CC2)cc(C)n1 231660318 344656601 /nfs/dbraw/zinc/65/66/01/344656601.db2.gz STLZAGNGAPOVGP-NSHDSACASA-N 1 0 176.263 2.108 10 0 AEAERO CC[C@@H]1C[C@]1([NH3+])c1cc(C)nc(C)c1 231671323 344656839 /nfs/dbraw/zinc/65/68/39/344656839.db2.gz ZWDSCISLPDHKAI-ZYHUDNBSSA-N 1 0 190.290 2.282 10 0 AEAERO CC[C@H]1C[C@]1([NH3+])c1cc(C)nc(C)c1 231671324 344656843 /nfs/dbraw/zinc/65/68/43/344656843.db2.gz ZWDSCISLPDHKAI-CMPLNLGQSA-N 1 0 190.290 2.282 10 0 AEAERO CO[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1 231681705 344656885 /nfs/dbraw/zinc/65/68/85/344656885.db2.gz BXVOGLRKLFIJPD-GHMZBOCLSA-N 1 0 183.295 2.086 10 0 AEAERO CO[C@@H]1CC[C@H]([NH2+]C2CCCC2)C1 231681711 344656938 /nfs/dbraw/zinc/65/69/38/344656938.db2.gz BXVOGLRKLFIJPD-WDEREUQCSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@H]1C[C@@]1([NH3+])c1cc(C)nc(C)c1 231671319 344656969 /nfs/dbraw/zinc/65/69/69/344656969.db2.gz ZWDSCISLPDHKAI-JQWIXIFHSA-N 1 0 190.290 2.282 10 0 AEAERO CCCNC(=[NH2+])c1cc(C)nc(C)c1 231671952 344656991 /nfs/dbraw/zinc/65/69/91/344656991.db2.gz RFXWDLCQPSHLHQ-UHFFFAOYSA-N 1 0 191.278 2.023 10 0 AEAERO CC[NH2+][C@@H](C)c1cc(C)nc(C)c1 231667529 344657029 /nfs/dbraw/zinc/65/70/29/344657029.db2.gz SWFPKRPRULXLIC-JTQLQIEISA-N 1 0 178.279 2.369 10 0 AEAERO CC[NH2+][C@H](C)c1cc(C)nc(C)c1 231667532 344657061 /nfs/dbraw/zinc/65/70/61/344657061.db2.gz SWFPKRPRULXLIC-SNVBAGLBSA-N 1 0 178.279 2.369 10 0 AEAERO CC[C@@H]1C[C@@]1([NH3+])c1cc(C)nc(C)c1 231671315 344657086 /nfs/dbraw/zinc/65/70/86/344657086.db2.gz ZWDSCISLPDHKAI-PWSUYJOCSA-N 1 0 190.290 2.282 10 0 AEAERO Cc1cnc(CNC(=[NH2+])C(C)(C)C)o1 231685485 344657113 /nfs/dbraw/zinc/65/71/13/344657113.db2.gz JAEYDCPSUQRSLC-UHFFFAOYSA-N 1 0 195.266 2.096 10 0 AEAERO CSCCCC[NH2+]C[C@@H]1C[C@@H]1C 231729509 344658103 /nfs/dbraw/zinc/65/81/03/344658103.db2.gz LNLXVUYNXSYMAK-UWVGGRQHSA-N 1 0 187.352 2.375 10 0 AEAERO CSCCCC[NH2+]C[C@@H]1C[C@H]1C 231729514 344658112 /nfs/dbraw/zinc/65/81/12/344658112.db2.gz LNLXVUYNXSYMAK-ZJUUUORDSA-N 1 0 187.352 2.375 10 0 AEAERO CSCCCC[NH2+]C[C@H]1C[C@H]1C 231729517 344658210 /nfs/dbraw/zinc/65/82/10/344658210.db2.gz LNLXVUYNXSYMAK-NXEZZACHSA-N 1 0 187.352 2.375 10 0 AEAERO CSCCCC[NH2+]C[C@H]1C[C@@H]1C 231729511 344658258 /nfs/dbraw/zinc/65/82/58/344658258.db2.gz LNLXVUYNXSYMAK-VHSXEESVSA-N 1 0 187.352 2.375 10 0 AEAERO Cc1ccc([C@@H](C)C[NH3+])c(F)c1F 231739284 344658487 /nfs/dbraw/zinc/65/84/87/344658487.db2.gz BLMDXWXEBMEEOJ-ZETCQYMHSA-N 1 0 185.217 2.335 10 0 AEAERO Cc1ccc([C@H](C)C[NH3+])c(F)c1F 231739287 344658619 /nfs/dbraw/zinc/65/86/19/344658619.db2.gz BLMDXWXEBMEEOJ-SSDOTTSWSA-N 1 0 185.217 2.335 10 0 AEAERO Cc1ccc([C@H](F)C[NH3+])c(F)c1F 231740252 344658650 /nfs/dbraw/zinc/65/86/50/344658650.db2.gz CGLXZAYKCCQMNC-SSDOTTSWSA-N 1 0 189.180 2.243 10 0 AEAERO Cc1ccc(/C=C/[C@H](C)[NH3+])cc1F 231750279 344658843 /nfs/dbraw/zinc/65/88/43/344658843.db2.gz ZCANCEUTQGAOLW-DNQSNQRASA-N 1 0 179.238 2.495 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1ccc(F)c(F)c1 231750356 344658855 /nfs/dbraw/zinc/65/88/55/344658855.db2.gz IYSQWAAXGBYTOG-TYWZFMJISA-N 1 0 183.201 2.325 10 0 AEAERO COc1ccc(/C=C/[C@@H](C)[NH3+])cc1C 231750107 344658874 /nfs/dbraw/zinc/65/88/74/344658874.db2.gz MRWKHQFPFQSHDR-ORAHPGNNSA-N 1 0 191.274 2.364 10 0 AEAERO Cc1cc(/C=C/[C@@H](C)[NH3+])c(C)n1C 231750268 344658880 /nfs/dbraw/zinc/65/88/80/344658880.db2.gz RAJWAOWXGKBFKU-HQZHTGGTSA-N 1 0 178.279 2.002 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1ccc(O)c(Cl)c1 231750301 344658883 /nfs/dbraw/zinc/65/88/83/344658883.db2.gz AJKHSOHKSVOJCF-TYWZFMJISA-N 1 0 197.665 2.406 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1cccc(F)c1F 231750965 344658889 /nfs/dbraw/zinc/65/88/89/344658889.db2.gz SCEACFCIVHPFBK-WEWAHIQMSA-N 1 0 183.201 2.325 10 0 AEAERO C[C@H]([NH3+])/C=C/c1ccc(F)c(F)c1 231750357 344658929 /nfs/dbraw/zinc/65/89/29/344658929.db2.gz IYSQWAAXGBYTOG-AIYRYJHASA-N 1 0 183.201 2.325 10 0 AEAERO Cc1nc(C)c(/C=C/[C@H](C)[NH3+])s1 231751081 344658938 /nfs/dbraw/zinc/65/89/38/344658938.db2.gz SCHSPPOXLWABBH-OVCGOVNKSA-N 1 0 182.292 2.120 10 0 AEAERO COc1ccc(/C=C/[C@H](C)[NH3+])cc1C 231750111 344658947 /nfs/dbraw/zinc/65/89/47/344658947.db2.gz MRWKHQFPFQSHDR-YEZKRMTDSA-N 1 0 191.274 2.364 10 0 AEAERO C[C@H]([NH3+])/C=C/c1ccc(F)cc1F 231750350 344658966 /nfs/dbraw/zinc/65/89/66/344658966.db2.gz MQMWIBXZWTVWJP-AIYRYJHASA-N 1 0 183.201 2.325 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1ccc(F)cc1F 231750346 344658989 /nfs/dbraw/zinc/65/89/89/344658989.db2.gz MQMWIBXZWTVWJP-TYWZFMJISA-N 1 0 183.201 2.325 10 0 AEAERO Cc1nc(C)c(/C=C/[C@@H](C)[NH3+])s1 231751078 344658996 /nfs/dbraw/zinc/65/89/96/344658996.db2.gz SCHSPPOXLWABBH-BMMSZFGTSA-N 1 0 182.292 2.120 10 0 AEAERO Cc1ccc(/C=C/[C@@H](C)[NH3+])cc1F 231750276 344659050 /nfs/dbraw/zinc/65/90/50/344659050.db2.gz ZCANCEUTQGAOLW-OTQAPUNGSA-N 1 0 179.238 2.495 10 0 AEAERO C[C@H]([NH3+])/C=C/c1cccc(F)c1F 231750967 344659029 /nfs/dbraw/zinc/65/90/29/344659029.db2.gz SCEACFCIVHPFBK-XPPMVYLVSA-N 1 0 183.201 2.325 10 0 AEAERO Cc1cc(/C=C/[C@H](C)[NH3+])c(C)n1C 231750271 344659036 /nfs/dbraw/zinc/65/90/36/344659036.db2.gz RAJWAOWXGKBFKU-GJIOHYHPSA-N 1 0 178.279 2.002 10 0 AEAERO C[C@H]([NH3+])/C=C/c1ccc(O)c(Cl)c1 231750305 344659045 /nfs/dbraw/zinc/65/90/45/344659045.db2.gz AJKHSOHKSVOJCF-AIYRYJHASA-N 1 0 197.665 2.406 10 0 AEAERO Cc1ccc(/C=C/[C@@H](C)[NH3+])s1 231752293 344659210 /nfs/dbraw/zinc/65/92/10/344659210.db2.gz SZZQSMUTFIXVTN-OHCKJTPYSA-N 1 0 167.277 2.417 10 0 AEAERO C[C@H]([NH3+])/C=C/c1cccs1 231751311 344659216 /nfs/dbraw/zinc/65/92/16/344659216.db2.gz FYPCJAPMGUTDSR-KPJROHGDSA-N 1 0 153.250 2.109 10 0 AEAERO Cc1cc(/C=C/[C@H](C)[NH3+])ccc1F 231752371 344659247 /nfs/dbraw/zinc/65/92/47/344659247.db2.gz OFEUWWNMAXHICF-NWALNABHSA-N 1 0 179.238 2.495 10 0 AEAERO Cc1ccsc1/C=C/[C@@H](C)[NH3+] 231752427 344659262 /nfs/dbraw/zinc/65/92/62/344659262.db2.gz MWNJNKRHAWEOJP-MPJRPATESA-N 1 0 167.277 2.417 10 0 AEAERO Cc1cc(F)ccc1/C=C/[C@@H](C)[NH3+] 231752067 344659280 /nfs/dbraw/zinc/65/92/80/344659280.db2.gz QREKTXXHFXRTCD-CDAZIORVSA-N 1 0 179.238 2.495 10 0 AEAERO C[C@H]([NH3+])/C=C/c1c(F)cccc1F 231752413 344659312 /nfs/dbraw/zinc/65/93/12/344659312.db2.gz SYLLYYZFKDBSMV-XPPMVYLVSA-N 1 0 183.201 2.325 10 0 AEAERO Cc1ccc(/C=C/[C@H](C)[NH3+])s1 231752295 344659324 /nfs/dbraw/zinc/65/93/24/344659324.db2.gz SZZQSMUTFIXVTN-MZTFZBDOSA-N 1 0 167.277 2.417 10 0 AEAERO Cc1cc(F)ccc1/C=C/[C@H](C)[NH3+] 231752070 344659325 /nfs/dbraw/zinc/65/93/25/344659325.db2.gz QREKTXXHFXRTCD-NWALNABHSA-N 1 0 179.238 2.495 10 0 AEAERO C[C@H]([NH3+])/C=C/c1ccc(Cl)o1 231752355 344659337 /nfs/dbraw/zinc/65/93/37/344659337.db2.gz XPEGYVMBRCGUOZ-SZKDQXIBSA-N 1 0 171.627 2.293 10 0 AEAERO C[C@H]([NH3+])/C=C/C1CCCCC1 231751501 344659346 /nfs/dbraw/zinc/65/93/46/344659346.db2.gz WSXDAKLWCIQVJY-FLOXNTQESA-N 1 0 153.269 2.470 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1c(F)cccc1F 231752410 344659348 /nfs/dbraw/zinc/65/93/48/344659348.db2.gz SYLLYYZFKDBSMV-WEWAHIQMSA-N 1 0 183.201 2.325 10 0 AEAERO Cc1ccsc1/C=C/[C@H](C)[NH3+] 231752431 344659350 /nfs/dbraw/zinc/65/93/50/344659350.db2.gz MWNJNKRHAWEOJP-RTMURIBGSA-N 1 0 167.277 2.417 10 0 AEAERO C[C@@H]([NH3+])/C=C/C1CCCCC1 231751497 344659353 /nfs/dbraw/zinc/65/93/53/344659353.db2.gz WSXDAKLWCIQVJY-FCZSHJHJSA-N 1 0 153.269 2.470 10 0 AEAERO C/C(=C\c1cnccc1C)[C@H](C)[NH3+] 231752516 344659362 /nfs/dbraw/zinc/65/93/62/344659362.db2.gz ZRBWEYUKYGATMN-ZKXNXJMVSA-N 1 0 176.263 2.141 10 0 AEAERO C/C(=C\c1cccc(O)c1)[C@@H](C)[NH3+] 231752973 344659365 /nfs/dbraw/zinc/65/93/65/344659365.db2.gz HLBFBXWTRDYXTJ-BNICOGTQSA-N 1 0 177.247 2.143 10 0 AEAERO Cc1cc(/C=C/[C@@H](C)[NH3+])ccc1F 231752368 344659380 /nfs/dbraw/zinc/65/93/80/344659380.db2.gz OFEUWWNMAXHICF-CDAZIORVSA-N 1 0 179.238 2.495 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1cccs1 231751307 344659390 /nfs/dbraw/zinc/65/93/90/344659390.db2.gz FYPCJAPMGUTDSR-SMMXGFFBSA-N 1 0 153.250 2.109 10 0 AEAERO C/C(=C\c1cnccc1C)[C@@H](C)[NH3+] 231752512 344659392 /nfs/dbraw/zinc/65/93/92/344659392.db2.gz ZRBWEYUKYGATMN-OLKPEBQYSA-N 1 0 176.263 2.141 10 0 AEAERO C[C@@H]([NH3+])/C=C/c1ccc(Cl)o1 231752351 344659393 /nfs/dbraw/zinc/65/93/93/344659393.db2.gz XPEGYVMBRCGUOZ-YRFDSLTASA-N 1 0 171.627 2.293 10 0 AEAERO C/C(=C\c1ccsc1)[C@H](C)[NH3+] 231754057 344659566 /nfs/dbraw/zinc/65/95/66/344659566.db2.gz DQFJMJKBUIOTSJ-IVGLGHLBSA-N 1 0 167.277 2.499 10 0 AEAERO C/C(=C\C1CCCC1)[C@@H](C)[NH3+] 231754773 344659576 /nfs/dbraw/zinc/65/95/76/344659576.db2.gz PQPVADNQFXRHPC-FCZSHJHJSA-N 1 0 153.269 2.470 10 0 AEAERO C/C(=C\c1cccc(O)c1)[C@H](C)[NH3+] 231752975 344659579 /nfs/dbraw/zinc/65/95/79/344659579.db2.gz HLBFBXWTRDYXTJ-ORZBULNSSA-N 1 0 177.247 2.143 10 0 AEAERO C/C(=C\c1ccco1)[C@H](C)[NH3+] 231753394 344659596 /nfs/dbraw/zinc/65/95/96/344659596.db2.gz JYPOVNFVEXYIJW-CZEYKFRCSA-N 1 0 151.209 2.030 10 0 AEAERO C/C(=C\c1ccoc1)[C@@H](C)[NH3+] 231754311 344659603 /nfs/dbraw/zinc/65/96/03/344659603.db2.gz RXZBNHIUJBZGBB-WVXIBAHESA-N 1 0 151.209 2.030 10 0 AEAERO C/C(=C\c1cccs1)[C@@H](C)[NH3+] 231753999 344659624 /nfs/dbraw/zinc/65/96/24/344659624.db2.gz RPKDIHNDWYYVOM-HYDMIIDASA-N 1 0 167.277 2.499 10 0 AEAERO C/C(=C\c1nc(C)cs1)[C@@H](C)[NH3+] 231753347 344659627 /nfs/dbraw/zinc/65/96/27/344659627.db2.gz PWGMUZDBYYQJIH-YZCDNWJKSA-N 1 0 182.292 2.202 10 0 AEAERO C/C(=C\c1c(C)noc1C)[C@H](C)[NH3+] 231753522 344659630 /nfs/dbraw/zinc/65/96/30/344659630.db2.gz VAPZHRCUACIYOO-XPPMVYLVSA-N 1 0 180.251 2.042 10 0 AEAERO C/C(=C\c1ccc(C)o1)[C@H](C)[NH3+] 231754460 344659640 /nfs/dbraw/zinc/65/96/40/344659640.db2.gz IKZXPLJPGIDUPY-UCUJLANTSA-N 1 0 165.236 2.339 10 0 AEAERO C/C(=C\c1ccc(C)nc1)[C@H](C)[NH3+] 231754130 344659641 /nfs/dbraw/zinc/65/96/41/344659641.db2.gz NLQCDWPKZXEGQS-PCGIRMHASA-N 1 0 176.263 2.141 10 0 AEAERO C/C(=C\c1c(C)noc1C)[C@@H](C)[NH3+] 231753521 344659647 /nfs/dbraw/zinc/65/96/47/344659647.db2.gz VAPZHRCUACIYOO-WEWAHIQMSA-N 1 0 180.251 2.042 10 0 AEAERO CC[C@@H](C)/C=C(/C)[C@H](C)[NH3+] 231753133 344659650 /nfs/dbraw/zinc/65/96/50/344659650.db2.gz HACCYHDWYDAISR-MMYZGBSVSA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C\c1scnc1C)[C@@H](C)[NH3+] 231754390 344659655 /nfs/dbraw/zinc/65/96/55/344659655.db2.gz JAQLDLFAMVQKRI-PTYLAXBQSA-N 1 0 182.292 2.202 10 0 AEAERO C/C(=C\c1occc1C)[C@@H](C)[NH3+] 231754601 344659673 /nfs/dbraw/zinc/65/96/73/344659673.db2.gz JULYBPUNDPACBF-BNICOGTQSA-N 1 0 165.236 2.339 10 0 AEAERO C/C(=C\c1csc(C)n1)[C@H](C)[NH3+] 231753441 344659676 /nfs/dbraw/zinc/65/96/76/344659676.db2.gz UVLPQMRTSOXVNV-KNIZRNDPSA-N 1 0 182.292 2.202 10 0 AEAERO C/C(=C\c1scnc1C)[C@H](C)[NH3+] 231754392 344659681 /nfs/dbraw/zinc/65/96/81/344659681.db2.gz JAQLDLFAMVQKRI-KNIZRNDPSA-N 1 0 182.292 2.202 10 0 AEAERO C/C(=C\c1ccco1)[C@@H](C)[NH3+] 231753391 344659686 /nfs/dbraw/zinc/65/96/86/344659686.db2.gz JYPOVNFVEXYIJW-HYDMIIDASA-N 1 0 151.209 2.030 10 0 AEAERO C/C(=C\c1ccc(O)cc1)[C@H](C)[NH3+] 231754009 344659689 /nfs/dbraw/zinc/65/96/89/344659689.db2.gz GBTIHZZZRNVKDY-FLOXNTQESA-N 1 0 177.247 2.143 10 0 AEAERO CC[C@@H](C)/C=C(/C)[C@@H](C)[NH3+] 231753125 344659696 /nfs/dbraw/zinc/65/96/96/344659696.db2.gz HACCYHDWYDAISR-IDJYNPRVSA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C\C1CCC1)[C@@H](C)[NH3+] 231754079 344659700 /nfs/dbraw/zinc/65/97/00/344659700.db2.gz VWEANKLKXUIWOJ-HYDMIIDASA-N 1 0 139.242 2.080 10 0 AEAERO C/C(=C\C(C)(C)C)[C@H](C)[NH3+] 231753547 344659721 /nfs/dbraw/zinc/65/97/21/344659721.db2.gz FPYBFZLWNBEZKW-CZEYKFRCSA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C\c1ccc(C)nc1)[C@@H](C)[NH3+] 231754126 344659731 /nfs/dbraw/zinc/65/97/31/344659731.db2.gz NLQCDWPKZXEGQS-QEHWCHDUSA-N 1 0 176.263 2.141 10 0 AEAERO C/C(=C\c1ccsc1)[C@@H](C)[NH3+] 231754054 344659738 /nfs/dbraw/zinc/65/97/38/344659738.db2.gz DQFJMJKBUIOTSJ-WVXIBAHESA-N 1 0 167.277 2.499 10 0 AEAERO C/C(=C\C(C)(C)C)[C@@H](C)[NH3+] 231753543 344659740 /nfs/dbraw/zinc/65/97/40/344659740.db2.gz FPYBFZLWNBEZKW-HYDMIIDASA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C\c1cccs1)[C@H](C)[NH3+] 231754000 344659746 /nfs/dbraw/zinc/65/97/46/344659746.db2.gz RPKDIHNDWYYVOM-CZEYKFRCSA-N 1 0 167.277 2.499 10 0 AEAERO C/C(=C\c1ccc(C)o1)[C@@H](C)[NH3+] 231754458 344659752 /nfs/dbraw/zinc/65/97/52/344659752.db2.gz IKZXPLJPGIDUPY-XCODYQFDSA-N 1 0 165.236 2.339 10 0 AEAERO C/C(=C\c1cnc(C)s1)[C@@H](C)[NH3+] 231754394 344659754 /nfs/dbraw/zinc/65/97/54/344659754.db2.gz NOZNMKUGVUDCBD-PTYLAXBQSA-N 1 0 182.292 2.202 10 0 AEAERO C/C(=C\c1nc(C)cs1)[C@H](C)[NH3+] 231753350 344659767 /nfs/dbraw/zinc/65/97/67/344659767.db2.gz PWGMUZDBYYQJIH-JQTRYQTASA-N 1 0 182.292 2.202 10 0 AEAERO C/C(=C\C1CCC1)[C@H](C)[NH3+] 231754082 344659777 /nfs/dbraw/zinc/65/97/77/344659777.db2.gz VWEANKLKXUIWOJ-CZEYKFRCSA-N 1 0 139.242 2.080 10 0 AEAERO CC[C@H](C)/C=C(/C)[C@H](C)[NH3+] 231753136 344659779 /nfs/dbraw/zinc/65/97/79/344659779.db2.gz HACCYHDWYDAISR-BAHSTFSOSA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C\c1ccoc1)[C@H](C)[NH3+] 231754314 344659784 /nfs/dbraw/zinc/65/97/84/344659784.db2.gz RXZBNHIUJBZGBB-IVGLGHLBSA-N 1 0 151.209 2.030 10 0 AEAERO C/C(=C\C1CCCC1)[C@H](C)[NH3+] 231754775 344659786 /nfs/dbraw/zinc/65/97/86/344659786.db2.gz PQPVADNQFXRHPC-FLOXNTQESA-N 1 0 153.269 2.470 10 0 AEAERO C/C(=C\c1cnc(C)s1)[C@H](C)[NH3+] 231754396 344659788 /nfs/dbraw/zinc/65/97/88/344659788.db2.gz NOZNMKUGVUDCBD-KNIZRNDPSA-N 1 0 182.292 2.202 10 0 AEAERO CC[C@H](C)/C=C(/C)[C@@H](C)[NH3+] 231753129 344659794 /nfs/dbraw/zinc/65/97/94/344659794.db2.gz HACCYHDWYDAISR-DQMOMPLJSA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C\Cl)C[NH2+][C@@H]1C[C@@H]1C 231999349 344669168 /nfs/dbraw/zinc/66/91/68/344669168.db2.gz GGDNKNVRTGLXCK-VJYOWIMYSA-N 1 0 159.660 2.127 10 0 AEAERO C/C(=C\c1ccc(C)cn1)[C@@H](C)[NH3+] 231754880 344659940 /nfs/dbraw/zinc/65/99/40/344659940.db2.gz HKCYWXLPCQPKMW-OLKPEBQYSA-N 1 0 176.263 2.141 10 0 AEAERO C[NH2+][C@H](C)/C=C/c1cccs1 231756076 344659944 /nfs/dbraw/zinc/65/99/44/344659944.db2.gz QKJCRCGZCGKJSY-HQZHTGGTSA-N 1 0 167.277 2.369 10 0 AEAERO CC[NH2+][C@@H](C)/C=C/C(C)C 231758550 344659946 /nfs/dbraw/zinc/65/99/46/344659946.db2.gz GLJDQNOFLOEONC-UCUJLANTSA-N 1 0 141.258 2.197 10 0 AEAERO C[NH2+][C@H](C)/C=C/C(C)(C)C 231755795 344659969 /nfs/dbraw/zinc/65/99/69/344659969.db2.gz IYMIJCOVCWOHPY-HYDMIIDASA-N 1 0 141.258 2.197 10 0 AEAERO C[NH2+][C@@H](C)/C=C/C(C)(C)C 231755793 344660024 /nfs/dbraw/zinc/66/00/24/344660024.db2.gz IYMIJCOVCWOHPY-CZEYKFRCSA-N 1 0 141.258 2.197 10 0 AEAERO C[NH2+][C@H](C)/C(C)=C/C1CCC1 231762588 344660038 /nfs/dbraw/zinc/66/00/38/344660038.db2.gz BLMSQMDCPCIEOL-FCZSHJHJSA-N 1 0 153.269 2.341 10 0 AEAERO C[NH2+][C@@H](C)/C=C/c1cccs1 231756073 344660046 /nfs/dbraw/zinc/66/00/46/344660046.db2.gz QKJCRCGZCGKJSY-GJIOHYHPSA-N 1 0 167.277 2.369 10 0 AEAERO C[NH2+][C@H](C)/C=C/C1CCCC1 231756805 344660057 /nfs/dbraw/zinc/66/00/57/344660057.db2.gz OLSPITFHCOLFEH-FCZSHJHJSA-N 1 0 153.269 2.341 10 0 AEAERO C[NH2+][C@@H](C)/C=C/C1CCCC1 231756801 344660062 /nfs/dbraw/zinc/66/00/62/344660062.db2.gz OLSPITFHCOLFEH-FLOXNTQESA-N 1 0 153.269 2.341 10 0 AEAERO C[NH2+][C@@H](C)/C(C)=C/C(C)C 231762741 344660079 /nfs/dbraw/zinc/66/00/79/344660079.db2.gz GDDJRACYRKYFFJ-ORZBULNSSA-N 1 0 141.258 2.197 10 0 AEAERO Cc1cnc([C@H](C)NC(=[NH2+])C(C)C)o1 231758252 344660117 /nfs/dbraw/zinc/66/01/17/344660117.db2.gz VKBIFLRSJQUQGK-QMMMGPOBSA-N 1 0 195.266 2.267 10 0 AEAERO C[NH2+][C@H](C)/C(C)=C/C(C)C 231762744 344660124 /nfs/dbraw/zinc/66/01/24/344660124.db2.gz GDDJRACYRKYFFJ-BNICOGTQSA-N 1 0 141.258 2.197 10 0 AEAERO CC[NH2+][C@H](C)/C=C/C(C)C 231758553 344660144 /nfs/dbraw/zinc/66/01/44/344660144.db2.gz GLJDQNOFLOEONC-XCODYQFDSA-N 1 0 141.258 2.197 10 0 AEAERO C[NH2+][C@@H](C)/C=C/c1ccsc1 231756110 344660190 /nfs/dbraw/zinc/66/01/90/344660190.db2.gz XEPXQLQCGUSEBA-RTMURIBGSA-N 1 0 167.277 2.369 10 0 AEAERO Cc1cnc([C@@H](C)NC(=[NH2+])C(C)C)o1 231758249 344660205 /nfs/dbraw/zinc/66/02/05/344660205.db2.gz VKBIFLRSJQUQGK-MRVPVSSYSA-N 1 0 195.266 2.267 10 0 AEAERO C/C(=C\c1ccc(C)cn1)[C@H](C)[NH3+] 231754883 344660234 /nfs/dbraw/zinc/66/02/34/344660234.db2.gz HKCYWXLPCQPKMW-ZKXNXJMVSA-N 1 0 176.263 2.141 10 0 AEAERO C[NH2+][C@H](C)/C=C/c1ccsc1 231756112 344660239 /nfs/dbraw/zinc/66/02/39/344660239.db2.gz XEPXQLQCGUSEBA-MPJRPATESA-N 1 0 167.277 2.369 10 0 AEAERO C[NH2+][C@@H](C)/C(C)=C/C1CCC1 231762585 344660261 /nfs/dbraw/zinc/66/02/61/344660261.db2.gz BLMSQMDCPCIEOL-FLOXNTQESA-N 1 0 153.269 2.341 10 0 AEAERO CC[C@H]([NH3+])[C@@H]1C[C@@H](C(C)C)CCC1=O 231772099 344660383 /nfs/dbraw/zinc/66/03/83/344660383.db2.gz MLKZSLUPNIFSIO-DCAQKATOSA-N 1 0 197.322 2.365 10 0 AEAERO CC[C@H]([NH3+])[C@H]1C[C@@H](C(C)C)CCC1=O 231772104 344660672 /nfs/dbraw/zinc/66/06/72/344660672.db2.gz MLKZSLUPNIFSIO-AXFHLTTASA-N 1 0 197.322 2.365 10 0 AEAERO CC[C@H]1C[C@@H]1[NH2+]C1CC(C)C1 231788322 344660874 /nfs/dbraw/zinc/66/08/74/344660874.db2.gz PFAGJWLUHKWRGF-LRHRNSLUSA-N 1 0 153.269 2.173 10 0 AEAERO CC[C@@H]1C[C@H]1[NH2+]C1CC(C)C1 231788325 344660887 /nfs/dbraw/zinc/66/08/87/344660887.db2.gz PFAGJWLUHKWRGF-QLVNRRSVSA-N 1 0 153.269 2.173 10 0 AEAERO CC1CC([NH2+]C2CC=CC2)C1 231788855 344660921 /nfs/dbraw/zinc/66/09/21/344660921.db2.gz BGHOTYPLNXOZCX-UHFFFAOYSA-N 1 0 151.253 2.093 10 0 AEAERO CC[C@H]1C[C@H]1[NH2+]C1CC(C)C1 231788329 344661111 /nfs/dbraw/zinc/66/11/11/344661111.db2.gz PFAGJWLUHKWRGF-RVXWLBMTSA-N 1 0 153.269 2.173 10 0 AEAERO CC[C@@H]1C[C@@H]1[NH2+]C1CC(C)C1 231788319 344661149 /nfs/dbraw/zinc/66/11/49/344661149.db2.gz PFAGJWLUHKWRGF-RGWUEKKESA-N 1 0 153.269 2.173 10 0 AEAERO C/C(=C\Cl)CS[C@H](C)C[NH3+] 232004655 344669550 /nfs/dbraw/zinc/66/95/50/344669550.db2.gz XWYSNIUAAOQWFA-XUTFHDRNSA-N 1 0 179.716 2.209 10 0 AEAERO Cc1c(N)cccc1C[N@H+]1CC[C@H]1C 231866658 344662970 /nfs/dbraw/zinc/66/29/70/344662970.db2.gz JUSQMNGQDQFFOA-SECBINFHSA-N 1 0 190.290 2.171 10 0 AEAERO Cc1c(N)cccc1C[N@H+]1CC[C@@H]1C 231866655 344663323 /nfs/dbraw/zinc/66/33/23/344663323.db2.gz JUSQMNGQDQFFOA-VIFPVBQESA-N 1 0 190.290 2.171 10 0 AEAERO Cc1cnc([C@H](C)[NH2+]C2CC(C)C2)o1 231900994 344664261 /nfs/dbraw/zinc/66/42/61/344664261.db2.gz FFGQACOJQGLDOX-ZAJCDATESA-N 1 0 194.278 2.432 10 0 AEAERO CCC[C@H]([NH3+])c1cnn2ccccc12 231939190 344666131 /nfs/dbraw/zinc/66/61/31/344666131.db2.gz STBCAHJKCGHGHN-JTQLQIEISA-N 1 0 189.262 2.134 10 0 AEAERO CC[C@@H]([NH2+]C)c1cnn2ccccc12 231938783 344666200 /nfs/dbraw/zinc/66/62/00/344666200.db2.gz FRIYNJSZIOHNCQ-SNVBAGLBSA-N 1 0 189.262 2.005 10 0 AEAERO CC[C@H]([NH2+]C)c1cnn2ccccc12 231938785 344666237 /nfs/dbraw/zinc/66/62/37/344666237.db2.gz FRIYNJSZIOHNCQ-JTQLQIEISA-N 1 0 189.262 2.005 10 0 AEAERO CCC[C@@H]([NH3+])c1cnn2ccccc12 231939187 344666285 /nfs/dbraw/zinc/66/62/85/344666285.db2.gz STBCAHJKCGHGHN-SNVBAGLBSA-N 1 0 189.262 2.134 10 0 AEAERO CC(C)=C[C@@H](F)[C@H]1CCC[NH2+]1 232557103 344682458 /nfs/dbraw/zinc/68/24/58/344682458.db2.gz KKWMKUHRHDLYOU-RKDXNWHRSA-N 1 0 157.232 2.043 10 0 AEAERO CC1CC2(C1)[NH2+]CC[C@H](C)S2 232794469 344690755 /nfs/dbraw/zinc/69/07/55/344690755.db2.gz YEIHLCSMWDOLAI-MGURRDGZSA-N 1 0 171.309 2.228 10 0 AEAERO C[C@@H]1CC[C@H](C[C@@H]2CCCC[NH2+]2)O1 231979676 344668213 /nfs/dbraw/zinc/66/82/13/344668213.db2.gz CBQWGMLMCFILIX-OUAUKWLOSA-N 1 0 183.295 2.086 10 0 AEAERO C[C@@H]1CC[C@H](C[C@@H]2CC[C@@H]([NH3+])C2)O1 231980155 344668273 /nfs/dbraw/zinc/66/82/73/344668273.db2.gz GSQKJBGYIQJIIX-GWOFURMSSA-N 1 0 183.295 2.071 10 0 AEAERO C/C(=C\Cl)C[NH2+][C@@H]1C[C@H]1C 231999354 344669119 /nfs/dbraw/zinc/66/91/19/344669119.db2.gz GGDNKNVRTGLXCK-CTDODENGSA-N 1 0 159.660 2.127 10 0 AEAERO Cc1ccc(C(=O)[C@H](C)[NH3+])cc1Cl 231995548 344669240 /nfs/dbraw/zinc/66/92/40/344669240.db2.gz PCBYRMFTHDNDGK-ZETCQYMHSA-N 1 0 197.665 2.178 10 0 AEAERO C/C(=C\Cl)C[NH2+]CC1CC1 231997054 344669260 /nfs/dbraw/zinc/66/92/60/344669260.db2.gz FJZRHKUKQALGSG-QPJJXVBHSA-N 1 0 159.660 2.129 10 0 AEAERO C/C(=C\Cl)C[NH2+]C1CCC1 231999346 344669267 /nfs/dbraw/zinc/66/92/67/344669267.db2.gz WUNZHFYMSMKQHN-FNORWQNLSA-N 1 0 159.660 2.271 10 0 AEAERO C/C(=C/Cl)C[NH2+]C1CC=CC1 232001189 344669507 /nfs/dbraw/zinc/66/95/07/344669507.db2.gz NKOBQJFEZSPMHF-VURMDHGXSA-N 1 0 171.671 2.437 10 0 AEAERO C/C(=C\Cl)C[NH2+]C1(C)CC1 232001264 344669583 /nfs/dbraw/zinc/66/95/83/344669583.db2.gz GSOUBHFXSWUAFB-FNORWQNLSA-N 1 0 159.660 2.271 10 0 AEAERO C/C(=C\Cl)CS[C@@H](C)C[NH3+] 232004652 344669608 /nfs/dbraw/zinc/66/96/08/344669608.db2.gz XWYSNIUAAOQWFA-ZAXDUSRUSA-N 1 0 179.716 2.209 10 0 AEAERO C/C(=C\Cl)C[NH2+][C@@H]1CCSC1 232001690 344669703 /nfs/dbraw/zinc/66/97/03/344669703.db2.gz PUESECVOZYUWJK-RXLGXGPVSA-N 1 0 191.727 2.224 10 0 AEAERO C/C(=C\Cl)C[NH2+][C@H]1CCSC1 232001693 344669826 /nfs/dbraw/zinc/66/98/26/344669826.db2.gz PUESECVOZYUWJK-IPWDFOCMSA-N 1 0 191.727 2.224 10 0 AEAERO C[C@@H]1CC[C@@H](CC2(C[NH3+])CCCC2)O1 232037634 344670036 /nfs/dbraw/zinc/67/00/36/344670036.db2.gz FOWCUHYLOSRXLS-MNOVXSKESA-N 1 0 197.322 2.463 10 0 AEAERO C[C@H]1CC[C@@H](CC2(C[NH3+])CCCC2)O1 232037637 344670060 /nfs/dbraw/zinc/67/00/60/344670060.db2.gz FOWCUHYLOSRXLS-QWRGUYRKSA-N 1 0 197.322 2.463 10 0 AEAERO C/C(=C\Cl)C[C@H]1CC[NH2+]C1 232017045 344670087 /nfs/dbraw/zinc/67/00/87/344670087.db2.gz XBJAOOWOCAYCJZ-WVXIBAHESA-N 1 0 159.660 2.129 10 0 AEAERO C/C(=C\Cl)C[C@@H]1CC[NH2+]C1 232017043 344670097 /nfs/dbraw/zinc/67/00/97/344670097.db2.gz XBJAOOWOCAYCJZ-IVGLGHLBSA-N 1 0 159.660 2.129 10 0 AEAERO C[C@@H]1CC[C@H](CC2(C[NH3+])CCCC2)O1 232037640 344670108 /nfs/dbraw/zinc/67/01/08/344670108.db2.gz FOWCUHYLOSRXLS-GHMZBOCLSA-N 1 0 197.322 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CC[C@@]1(c2ccco2)[C@@H]([NH3+])C1(C)C 301033172 345030608 /nfs/dbraw/zinc/03/06/08/345030608.db2.gz VTTVEKMFKCRUPN-GXSJLCMTSA-N 1 0 179.263 2.295 10 0 AEAERO CC[C@]1(c2ccco2)[C@H]([NH3+])C1(C)C 301033173 345030617 /nfs/dbraw/zinc/03/06/17/345030617.db2.gz VTTVEKMFKCRUPN-KOLCDFICSA-N 1 0 179.263 2.295 10 0 AEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 301034386 345030623 /nfs/dbraw/zinc/03/06/23/345030623.db2.gz WIMFUFLAUZGEDW-VHSXEESVSA-N 1 0 197.228 2.416 10 0 AEAERO CC1(C)[C@H](c2ccc(F)c(F)c2)[C@H]1[NH3+] 301034382 345030635 /nfs/dbraw/zinc/03/06/35/345030635.db2.gz WIMFUFLAUZGEDW-NXEZZACHSA-N 1 0 197.228 2.416 10 0 AEAERO CC[C@@]1(c2ccco2)[C@H]([NH3+])C1(C)C 301033174 345030661 /nfs/dbraw/zinc/03/06/61/345030661.db2.gz VTTVEKMFKCRUPN-MWLCHTKSSA-N 1 0 179.263 2.295 10 0 AEAERO CC1(C)[C@@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 301034384 345030691 /nfs/dbraw/zinc/03/06/91/345030691.db2.gz WIMFUFLAUZGEDW-UWVGGRQHSA-N 1 0 197.228 2.416 10 0 AEAERO CCC1(CC)[C@@H]([NH3+])C1(C)C 301036689 345030954 /nfs/dbraw/zinc/03/09/54/345030954.db2.gz XILUJTVEABLSAP-ZETCQYMHSA-N 1 0 141.258 2.160 10 0 AEAERO CC1(C)[C@H](C[NH3+])[C@@]1(C)c1ccco1 301037352 345030963 /nfs/dbraw/zinc/03/09/63/345030963.db2.gz XPBHSPCHWZNUMO-KWQFWETISA-N 1 0 179.263 2.152 10 0 AEAERO CC1(C)[C@H](C[NH3+])[C@]1(C)c1ccco1 301037350 345030970 /nfs/dbraw/zinc/03/09/70/345030970.db2.gz XPBHSPCHWZNUMO-GZMMTYOYSA-N 1 0 179.263 2.152 10 0 AEAERO CCC1(CC)[C@H]([NH3+])C1(C)C 301036688 345030990 /nfs/dbraw/zinc/03/09/90/345030990.db2.gz XILUJTVEABLSAP-SSDOTTSWSA-N 1 0 141.258 2.160 10 0 AEAERO CC1(C)[C@@H](C[NH3+])[C@@]1(C)Cc1ccco1 301036105 345031006 /nfs/dbraw/zinc/03/10/06/345031006.db2.gz XCDTYLWXXIYJOL-ZYHUDNBSSA-N 1 0 193.290 2.443 10 0 AEAERO CC1(C)[C@@H](C[NH3+])[C@]1(C)c1ccco1 301037353 345031014 /nfs/dbraw/zinc/03/10/14/345031014.db2.gz XPBHSPCHWZNUMO-LDYMZIIASA-N 1 0 179.263 2.152 10 0 AEAERO CC1(C)[C@H](C[NH3+])[C@@]1(C)Cc1ccco1 301036102 345031081 /nfs/dbraw/zinc/03/10/81/345031081.db2.gz 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306311151 345190283 /nfs/dbraw/zinc/19/02/83/345190283.db2.gz XRIFQTCQVKKPLZ-WPRPVWTQSA-N 1 0 196.319 2.220 10 0 AEAERO Cc1cc([C@]2(C)CC[C@@H]([NH3+])C2)sn1 306311148 345190325 /nfs/dbraw/zinc/19/03/25/345190325.db2.gz XRIFQTCQVKKPLZ-PSASIEDQSA-N 1 0 196.319 2.220 10 0 AEAERO C[C@H](Nc1ccc(Cl)cc1)[C@@H](C)[NH3+] 306311790 345190741 /nfs/dbraw/zinc/19/07/41/345190741.db2.gz KEILLLZLVCCBBU-SFYZADRCSA-N 1 0 198.697 2.488 10 0 AEAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Cl)cc1 306311785 345190847 /nfs/dbraw/zinc/19/08/47/345190847.db2.gz KEILLLZLVCCBBU-HTQZYQBOSA-N 1 0 198.697 2.488 10 0 AEAERO C[C@H]([NH3+])[C@@H](C)Nc1ccc(Cl)cc1 306311787 345190879 /nfs/dbraw/zinc/19/08/79/345190879.db2.gz KEILLLZLVCCBBU-JGVFFNPUSA-N 1 0 198.697 2.488 10 0 AEAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Cl)cc1 306311793 345190930 /nfs/dbraw/zinc/19/09/30/345190930.db2.gz KEILLLZLVCCBBU-YUMQZZPRSA-N 1 0 198.697 2.488 10 0 AEAERO CC(C)[NH2+]C[C@H]1CCCSC1 306311310 345190956 /nfs/dbraw/zinc/19/09/56/345190956.db2.gz 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CC[C@H]1C[C@@H](C2CC2)CC[NH2+]1 306312519 345191479 /nfs/dbraw/zinc/19/14/79/345191479.db2.gz SPHJMBAZXBAMRJ-UWVGGRQHSA-N 1 0 153.269 2.175 10 0 AEAERO CC1(C)CC[C@H]1[NH2+][C@H]1COCC1(C)C 306312462 345191547 /nfs/dbraw/zinc/19/15/47/345191547.db2.gz SITPNXNECPKTAW-ZJUUUORDSA-N 1 0 197.322 2.190 10 0 AEAERO CC[C@H]1C[C@H](C2CC2)CC[NH2+]1 306312524 345191581 /nfs/dbraw/zinc/19/15/81/345191581.db2.gz SPHJMBAZXBAMRJ-ZJUUUORDSA-N 1 0 153.269 2.175 10 0 AEAERO CC(C)[C@H](C)[C@]1([NH3+])CCCOCC1 306312987 345191772 /nfs/dbraw/zinc/19/17/72/345191772.db2.gz WXDBBBPTTLJPOP-QWRGUYRKSA-N 1 0 185.311 2.177 10 0 AEAERO CC(C)[C@@H](C)[C@]1([NH3+])CCCOCC1 306312986 345191852 /nfs/dbraw/zinc/19/18/52/345191852.db2.gz WXDBBBPTTLJPOP-MNOVXSKESA-N 1 0 185.311 2.177 10 0 AEAERO C[C@H](C1CC1)[C@@H]([NH3+])c1cscn1 306313360 345191986 /nfs/dbraw/zinc/19/19/86/345191986.db2.gz OKHNKJRTLKXCLL-HZGVNTEJSA-N 1 0 182.292 2.189 10 0 AEAERO CC(C)[C@H](C)[C@@]1([NH3+])CCCOCC1 306312989 345192018 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/nfs/dbraw/zinc/21/82/90/345218290.db2.gz MKKJKDHVSKXPIX-DTWKUNHWSA-N 1 0 155.285 2.421 10 0 AEAERO CC[C@@H](NC(C)=[NH2+])C1CCC1 306344323 345218340 /nfs/dbraw/zinc/21/83/40/345218340.db2.gz NHANNLQZZOEXQD-SECBINFHSA-N 1 0 154.257 2.152 10 0 AEAERO C[C@@H]1CCN(C[C@H](F)C(F)(F)F)C1 306344933 345218686 /nfs/dbraw/zinc/21/86/86/345218686.db2.gz DOXOXKKVOUQEEX-RQJHMYQMSA-N 1 0 199.191 2.229 10 0 AEAERO Cc1ccnc(CNC(=[NH2+])C(C)C)c1 306344973 345218702 /nfs/dbraw/zinc/21/87/02/345218702.db2.gz NNLIGEDVZSXTBK-UHFFFAOYSA-N 1 0 191.278 2.113 10 0 AEAERO CCC(=[NH2+])N1CCCO[C@H](C(C)C)C1 306344978 345218759 /nfs/dbraw/zinc/21/87/59/345218759.db2.gz NOEAJILUVPEUER-JTQLQIEISA-N 1 0 198.310 2.121 10 0 AEAERO CCCNc1cc[nH+]c(CC)c1 306344878 345218762 /nfs/dbraw/zinc/21/87/62/345218762.db2.gz NOTXSDCPMQYIDG-UHFFFAOYSA-N 1 0 164.252 2.466 10 0 AEAERO C[C@H]1CCN(C[C@H](F)C(F)(F)F)C1 306344929 345218778 /nfs/dbraw/zinc/21/87/78/345218778.db2.gz DOXOXKKVOUQEEX-BQBZGAKWSA-N 1 0 199.191 2.229 10 0 AEAERO 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/nfs/dbraw/zinc/21/99/38/345219938.db2.gz BEPICWQPLHRJAJ-NXEZZACHSA-N 1 0 166.268 2.106 10 0 AEAERO CC(=[NH2+])N1C[C@H]2CCCC[C@H]2C1 306346393 345220067 /nfs/dbraw/zinc/22/00/67/345220067.db2.gz BEPICWQPLHRJAJ-AOOOYVTPSA-N 1 0 166.268 2.106 10 0 AEAERO CCC(C)(C)Nc1c[nH+]ccc1N 306345897 345220112 /nfs/dbraw/zinc/22/01/12/345220112.db2.gz FEIIITHNIRKIJX-UHFFFAOYSA-N 1 0 179.267 2.264 10 0 AEAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]32)C[C@H]1C 306346197 345220151 /nfs/dbraw/zinc/22/01/51/345220151.db2.gz QOVOMVHYBSFPPJ-OWSRUXPGSA-N 1 0 179.307 2.419 10 0 AEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]32)[C@@H]1C 306346195 345220254 /nfs/dbraw/zinc/22/02/54/345220254.db2.gz QOVOMVHYBSFPPJ-MOCCIAMBSA-N 1 0 179.307 2.419 10 0 AEAERO CC(=[NH2+])N1C[C@@H]2CCCC[C@H]2C1 306346395 345220325 /nfs/dbraw/zinc/22/03/25/345220325.db2.gz BEPICWQPLHRJAJ-UWVGGRQHSA-N 1 0 166.268 2.106 10 0 AEAERO C[C@H]1CC[C@H]1[NH2+]C/C=C/Cl 306347025 345220484 /nfs/dbraw/zinc/22/04/84/345220484.db2.gz 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345221602 /nfs/dbraw/zinc/22/16/02/345221602.db2.gz QOSZUEGNWJFDDW-SECBINFHSA-N 1 0 180.295 2.347 10 0 AEAERO CC[C@@](C)([NH3+])c1ncccc1Cl 306348000 345221835 /nfs/dbraw/zinc/22/18/35/345221835.db2.gz FUNOVHKRPYRDDJ-SECBINFHSA-N 1 0 184.670 2.319 10 0 AEAERO CC[C@](C)([NH3+])c1ncccc1Cl 306348002 345222024 /nfs/dbraw/zinc/22/20/24/345222024.db2.gz FUNOVHKRPYRDDJ-VIFPVBQESA-N 1 0 184.670 2.319 10 0 AEAERO CSC1([C@@H]2[NH2+]CC2(C)C)CCC1 306348653 345222443 /nfs/dbraw/zinc/22/24/43/345222443.db2.gz JNDVPQPNPXEONS-MRVPVSSYSA-N 1 0 185.336 2.270 10 0 AEAERO C[C@H]1C[C@@H]2[NH2+]CCc3cccc1c32 306350050 345223298 /nfs/dbraw/zinc/22/32/98/345223298.db2.gz VOXVKCXARSTZEH-KWQFWETISA-N 1 0 173.259 2.381 10 0 AEAERO Cc1ncsc1C[NH2+][C@H]1CC[C@@H]1C 306350135 345223304 /nfs/dbraw/zinc/22/33/04/345223304.db2.gz VKWNBCSMZCHEAP-CBAPKCEASA-N 1 0 196.319 2.340 10 0 AEAERO C[C@@H]1C[C@H]2[NH2+]CCc3cccc1c32 306350051 345223307 /nfs/dbraw/zinc/22/33/07/345223307.db2.gz VOXVKCXARSTZEH-LDYMZIIASA-N 1 0 173.259 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306535239 345407866 /nfs/dbraw/zinc/40/78/66/345407866.db2.gz FRXJDUNWDMXRRV-NOOOWODRSA-N 1 0 198.354 2.233 10 0 AEAERO CC[C@](C)([C@H](C)N)[N@@H+]1CC[C@H](C)[C@H]1C 306535240 345407949 /nfs/dbraw/zinc/40/79/49/345407949.db2.gz FRXJDUNWDMXRRV-WHOHXGKFSA-N 1 0 198.354 2.233 10 0 AEAERO CC[C@](C)([C@H](C)N)[N@@H+]1CC[C@H](C)[C@@H]1C 306535238 345408035 /nfs/dbraw/zinc/40/80/35/345408035.db2.gz FRXJDUNWDMXRRV-FIQHERPVSA-N 1 0 198.354 2.233 10 0 AEAERO CC(C)C(=[NH2+])N1CCC2(CCC2)C1 306536305 345408766 /nfs/dbraw/zinc/40/87/66/345408766.db2.gz HFSBTWGREAIAHW-UHFFFAOYSA-N 1 0 180.295 2.496 10 0 AEAERO CCC(C)(C)C[N@@H+]1CCN[C@@H](C)[C@H]1C 306536316 345408835 /nfs/dbraw/zinc/40/88/35/345408835.db2.gz HHIVTDTYTZMLAM-WDEREUQCSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(C)(C)C[N@@H+]1CCN[C@@H](C)[C@@H]1C 306536315 345408850 /nfs/dbraw/zinc/40/88/50/345408850.db2.gz HHIVTDTYTZMLAM-QWRGUYRKSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(C)(C)C[N@@H+]1CCN[C@H](C)[C@H]1C 306536313 345408884 /nfs/dbraw/zinc/40/88/84/345408884.db2.gz HHIVTDTYTZMLAM-GHMZBOCLSA-N 1 0 198.354 2.105 10 0 AEAERO CCC(C)(C)C[N@@H+]1CCN[C@H](C)[C@@H]1C 306536314 345409140 /nfs/dbraw/zinc/40/91/40/345409140.db2.gz HHIVTDTYTZMLAM-MNOVXSKESA-N 1 0 198.354 2.105 10 0 AEAERO C[C@H](CC(C)(C)O)[NH+]1CCCCC1 306536684 345409418 /nfs/dbraw/zinc/40/94/18/345409418.db2.gz HKMVDELLBGCFSX-SNVBAGLBSA-N 1 0 185.311 2.022 10 0 AEAERO C[C@@H](CC(C)(C)O)[NH+]1CCCCC1 306536682 345409431 /nfs/dbraw/zinc/40/94/31/345409431.db2.gz HKMVDELLBGCFSX-JTQLQIEISA-N 1 0 185.311 2.022 10 0 AEAERO CSC[C@@H]([NH3+])c1cnc(C)c(C)c1 306537305 345409860 /nfs/dbraw/zinc/40/98/60/345409860.db2.gz RHULBSHMNQLHCS-SNVBAGLBSA-N 1 0 196.319 2.061 10 0 AEAERO C[NH2+][C@@H](c1ccsn1)C1(C)CC1 306536852 345409941 /nfs/dbraw/zinc/40/99/41/345409941.db2.gz HUNDKLOYNAALJI-QMMMGPOBSA-N 1 0 182.292 2.204 10 0 AEAERO CSC[C@H]([NH3+])c1cnc(C)c(C)c1 306537304 345409947 /nfs/dbraw/zinc/40/99/47/345409947.db2.gz RHULBSHMNQLHCS-JTQLQIEISA-N 1 0 196.319 2.061 10 0 AEAERO C[NH2+][C@H](c1ccsn1)C1(C)CC1 306536851 345409952 /nfs/dbraw/zinc/40/99/52/345409952.db2.gz HUNDKLOYNAALJI-MRVPVSSYSA-N 1 0 182.292 2.204 10 0 AEAERO C[C@H]([NH3+])C[C@H](C)[N@@H+]1C[C@H](C)CC1(C)C 306537383 345410440 /nfs/dbraw/zinc/41/04/40/345410440.db2.gz IKZDSGMSEPECIZ-VWYCJHECSA-N 1 0 198.354 2.233 10 0 AEAERO C[C@H]([NH3+])C[C@H](C)[N@@H+]1C[C@@H](C)CC1(C)C 306537380 345410474 /nfs/dbraw/zinc/41/04/74/345410474.db2.gz IKZDSGMSEPECIZ-DCAQKATOSA-N 1 0 198.354 2.233 10 0 AEAERO C[C@H]([NH3+])C[C@@H](C)[N@@H+]1C[C@H](C)CC1(C)C 306537382 345410578 /nfs/dbraw/zinc/41/05/78/345410578.db2.gz IKZDSGMSEPECIZ-OUAUKWLOSA-N 1 0 198.354 2.233 10 0 AEAERO C[C@H]([NH3+])C[C@@H](C)[N@@H+]1C[C@@H](C)CC1(C)C 306537381 345410654 /nfs/dbraw/zinc/41/06/54/345410654.db2.gz IKZDSGMSEPECIZ-GARJFASQSA-N 1 0 198.354 2.233 10 0 AEAERO C[NH2+]C[C@@H]1C(C)(C)[C@]12CC[C@@H]1C[C@@H]12 306537660 345410910 /nfs/dbraw/zinc/41/09/10/345410910.db2.gz RMEAJNSLEAXCEK-KLBPJQLPSA-N 1 0 179.307 2.278 10 0 AEAERO C[C@H]1CC[C@](C[NH3+])(c2nccs2)C1 306537759 345410920 /nfs/dbraw/zinc/41/09/20/345410920.db2.gz RXKJMGQHOSQSCN-WPRPVWTQSA-N 1 0 196.319 2.160 10 0 AEAERO C[C@@H]1CC[C@](C[NH3+])(c2nccs2)C1 306537757 345410952 /nfs/dbraw/zinc/41/09/52/345410952.db2.gz RXKJMGQHOSQSCN-SCZZXKLOSA-N 1 0 196.319 2.160 10 0 AEAERO C[C@H]1CC[C@@](C[NH3+])(c2nccs2)C1 306537758 345410970 /nfs/dbraw/zinc/41/09/70/345410970.db2.gz RXKJMGQHOSQSCN-WCBMZHEXSA-N 1 0 196.319 2.160 10 0 AEAERO C[NH2+]C[C@@H]1C(C)(C)[C@]12CC[C@H]1C[C@H]12 306537662 345411022 /nfs/dbraw/zinc/41/10/22/345411022.db2.gz RMEAJNSLEAXCEK-XNDJQWLSSA-N 1 0 179.307 2.278 10 0 AEAERO C[C@@H]1CC[C@@](C[NH3+])(c2nccs2)C1 306537755 345411127 /nfs/dbraw/zinc/41/11/27/345411127.db2.gz RXKJMGQHOSQSCN-PSASIEDQSA-N 1 0 196.319 2.160 10 0 AEAERO CC[C@H](C)[C@H](C)[C@@H]1CC[C@@H]1[NH3+] 306537938 345411465 /nfs/dbraw/zinc/41/14/65/345411465.db2.gz LRAAIIDTARKQMC-XKNYDFJKSA-N 1 0 155.285 2.406 10 0 AEAERO Fc1ccc(C[C@@H]2C=CC[NH2+]2)c(F)c1 306537980 345411473 /nfs/dbraw/zinc/41/14/73/345411473.db2.gz LWEBHRRRNJXCBR-JTQLQIEISA-N 1 0 195.212 2.035 10 0 AEAERO C[C@@]1(C[NH3+])CC[C@H](C2CCCC2)O1 306538171 345411530 /nfs/dbraw/zinc/41/15/30/345411530.db2.gz OTACOTIVGJHZKO-MNOVXSKESA-N 1 0 183.295 2.073 10 0 AEAERO CC[C@H](C)[C@H](C)[C@@H]1CC[C@H]1[NH3+] 306537935 345411534 /nfs/dbraw/zinc/41/15/34/345411534.db2.gz LRAAIIDTARKQMC-AATLWQCWSA-N 1 0 155.285 2.406 10 0 AEAERO C[C@]1(C[NH3+])CC[C@H](C2CCCC2)O1 306538170 345411537 /nfs/dbraw/zinc/41/15/37/345411537.db2.gz OTACOTIVGJHZKO-GHMZBOCLSA-N 1 0 183.295 2.073 10 0 AEAERO CC[C@H](C)[C@H](C)[C@H]1CC[C@H]1[NH3+] 306537936 345411706 /nfs/dbraw/zinc/41/17/06/345411706.db2.gz LRAAIIDTARKQMC-AXTSPUMRSA-N 1 0 155.285 2.406 10 0 AEAERO CC[C@H](C)[C@H](C)[C@H]1CC[C@@H]1[NH3+] 306537937 345411757 /nfs/dbraw/zinc/41/17/57/345411757.db2.gz LRAAIIDTARKQMC-QEYWKRMJSA-N 1 0 155.285 2.406 10 0 AEAERO Fc1ccc(C[C@H]2C=CC[NH2+]2)c(F)c1 306537981 345411770 /nfs/dbraw/zinc/41/17/70/345411770.db2.gz LWEBHRRRNJXCBR-SNVBAGLBSA-N 1 0 195.212 2.035 10 0 AEAERO CCC[C@@H](C)Nc1c[nH+]ccc1N 306538075 345411790 /nfs/dbraw/zinc/41/17/90/345411790.db2.gz SGLDHANHKNWHSU-MRVPVSSYSA-N 1 0 179.267 2.264 10 0 AEAERO C[C@@]1(C[NH3+])CC[C@@H](C2CCCC2)O1 306538172 345411806 /nfs/dbraw/zinc/41/18/06/345411806.db2.gz OTACOTIVGJHZKO-QWRGUYRKSA-N 1 0 183.295 2.073 10 0 AEAERO Cc1nnsc1[C@H]([NH3+])[C@@H](C)C(C)C 306538342 345411934 /nfs/dbraw/zinc/41/19/34/345411934.db2.gz MCYCPAPXEFYECJ-POYBYMJQSA-N 1 0 199.323 2.138 10 0 AEAERO Cc1nnsc1[C@@H]([NH3+])[C@@H](C)C(C)C 306538344 345411938 /nfs/dbraw/zinc/41/19/38/345411938.db2.gz MCYCPAPXEFYECJ-XPUUQOCRSA-N 1 0 199.323 2.138 10 0 AEAERO Cc1nnsc1[C@H]([NH3+])[C@H](C)C(C)C 306538341 345411944 /nfs/dbraw/zinc/41/19/44/345411944.db2.gz MCYCPAPXEFYECJ-HTRCEHHLSA-N 1 0 199.323 2.138 10 0 AEAERO CO[C@@H]1CCC[C@H](C2([NH3+])CCCC2)C1 306538359 345411998 /nfs/dbraw/zinc/41/19/98/345411998.db2.gz MDRRGNZHDZVNRU-WDEREUQCSA-N 1 0 197.322 2.463 10 0 AEAERO CO[C@H]1CCC[C@@H](C2([NH3+])CCCC2)C1 306538357 345412059 /nfs/dbraw/zinc/41/20/59/345412059.db2.gz MDRRGNZHDZVNRU-MNOVXSKESA-N 1 0 197.322 2.463 10 0 AEAERO CO[C@H]1CCC[C@H](C2([NH3+])CCCC2)C1 306538358 345412287 /nfs/dbraw/zinc/41/22/87/345412287.db2.gz MDRRGNZHDZVNRU-QWRGUYRKSA-N 1 0 197.322 2.463 10 0 AEAERO [NH2+]=C(CC1CCC1)N1CCCC1 306538575 345412371 /nfs/dbraw/zinc/41/23/71/345412371.db2.gz SZWQZSLUNSBPNS-UHFFFAOYSA-N 1 0 166.268 2.250 10 0 AEAERO CO[C@@H]1CCC[C@@H](C2([NH3+])CCCC2)C1 306538356 345412373 /nfs/dbraw/zinc/41/23/73/345412373.db2.gz MDRRGNZHDZVNRU-GHMZBOCLSA-N 1 0 197.322 2.463 10 0 AEAERO C[C@@H]1C[C@@H](C[NH2+]C2CC2)[C@@H]1C 306538983 345412522 /nfs/dbraw/zinc/41/25/22/345412522.db2.gz MVZPPPFBIIODJY-HLTSFMKQSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1[C@@H](C[NH2+]C2CC2)C[C@H]1C 306538984 345412533 /nfs/dbraw/zinc/41/25/33/345412533.db2.gz MVZPPPFBIIODJY-HRDYMLBCSA-N 1 0 153.269 2.031 10 0 AEAERO Cc1cc([C@@H]2C[C@H]2C[NH3+])cs1 306539083 345412534 /nfs/dbraw/zinc/41/25/34/345412534.db2.gz PURIDNCLBSXFGY-IONNQARKSA-N 1 0 167.277 2.119 10 0 AEAERO Cc1cc([C@H]2C[C@H]2C[NH3+])cs1 306539082 345412577 /nfs/dbraw/zinc/41/25/77/345412577.db2.gz PURIDNCLBSXFGY-CBAPKCEASA-N 1 0 167.277 2.119 10 0 AEAERO Cc1cc([C@H](F)CC[NH3+])cnc1C 306538829 345412581 /nfs/dbraw/zinc/41/25/81/345412581.db2.gz TZYYDHJDYSFMQO-SNVBAGLBSA-N 1 0 182.242 2.058 10 0 AEAERO Cc1cc([C@H]2C[C@@H]2C[NH3+])cs1 306539081 345412591 /nfs/dbraw/zinc/41/25/91/345412591.db2.gz PURIDNCLBSXFGY-APPZFPTMSA-N 1 0 167.277 2.119 10 0 AEAERO Cc1cc([C@@H]2C[C@@H]2C[NH3+])cs1 306539084 345412724 /nfs/dbraw/zinc/41/27/24/345412724.db2.gz PURIDNCLBSXFGY-VXNVDRBHSA-N 1 0 167.277 2.119 10 0 AEAERO C[C@H]1[C@H](C)C[C@H]1C[NH2+]C1CC1 306538986 345412742 /nfs/dbraw/zinc/41/27/42/345412742.db2.gz MVZPPPFBIIODJY-VGMNWLOBSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1C[C@H](C[NH2+]C2CC2)[C@@H]1C 306538985 345412788 /nfs/dbraw/zinc/41/27/88/345412788.db2.gz MVZPPPFBIIODJY-IWSPIJDZSA-N 1 0 153.269 2.031 10 0 AEAERO Cc1cc([C@@H](F)CC[NH3+])cnc1C 306538827 345412865 /nfs/dbraw/zinc/41/28/65/345412865.db2.gz TZYYDHJDYSFMQO-JTQLQIEISA-N 1 0 182.242 2.058 10 0 AEAERO CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H](C1)N2 306539647 345413813 /nfs/dbraw/zinc/41/38/13/345413813.db2.gz NOHXHGIKBWUEHJ-SDDRHHMPSA-N 1 0 196.338 2.001 10 0 AEAERO CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@H](C1)N2 306539650 345413910 /nfs/dbraw/zinc/41/39/10/345413910.db2.gz NOHXHGIKBWUEHJ-UTUOFQBUSA-N 1 0 196.338 2.001 10 0 AEAERO CO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 306540279 345414193 /nfs/dbraw/zinc/41/41/93/345414193.db2.gz ORBFSXVGAQRTKP-FIQHERPVSA-N 1 0 197.322 2.332 10 0 AEAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 306540068 345414245 /nfs/dbraw/zinc/41/42/45/345414245.db2.gz VSZLBUSCMZIPAN-KATARQTJSA-N 1 0 171.259 2.265 10 0 AEAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 306540070 345414258 /nfs/dbraw/zinc/41/42/58/345414258.db2.gz VSZLBUSCMZIPAN-KYXWUPHJSA-N 1 0 171.259 2.265 10 0 AEAERO COC(C)(C)[C@H]1[NH2+]CC12CCCCC2 306540255 345414369 /nfs/dbraw/zinc/41/43/69/345414369.db2.gz OOLLEUWKEJNSRI-SNVBAGLBSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 306540066 345414396 /nfs/dbraw/zinc/41/43/96/345414396.db2.gz VSZLBUSCMZIPAN-IMSYWVGJSA-N 1 0 171.259 2.265 10 0 AEAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 306540072 345414416 /nfs/dbraw/zinc/41/44/16/345414416.db2.gz VSZLBUSCMZIPAN-RGOKHQFPSA-N 1 0 171.259 2.265 10 0 AEAERO CO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 306540280 345414435 /nfs/dbraw/zinc/41/44/35/345414435.db2.gz ORBFSXVGAQRTKP-KKOKHZNYSA-N 1 0 197.322 2.332 10 0 AEAERO CO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 306540282 345414440 /nfs/dbraw/zinc/41/44/40/345414440.db2.gz ORBFSXVGAQRTKP-WHOHXGKFSA-N 1 0 197.322 2.332 10 0 AEAERO CO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 306540281 345414445 /nfs/dbraw/zinc/41/44/45/345414445.db2.gz ORBFSXVGAQRTKP-KXNHARMFSA-N 1 0 197.322 2.332 10 0 AEAERO COC(C)(C)[C@@H]1[NH2+]CC12CCCCC2 306540254 345414470 /nfs/dbraw/zinc/41/44/70/345414470.db2.gz OOLLEUWKEJNSRI-JTQLQIEISA-N 1 0 197.322 2.334 10 0 AEAERO CC(C)[C@H](C)[C@@H]1CC[C@H]1[NH3+] 306541641 345415530 /nfs/dbraw/zinc/41/55/30/345415530.db2.gz PZUQZMNOLYAQFQ-XHNCKOQMSA-N 1 0 141.258 2.016 10 0 AEAERO CC(C)[C@H](C)[C@H]1CC[C@@H]1[NH3+] 306541647 345415574 /nfs/dbraw/zinc/41/55/74/345415574.db2.gz PZUQZMNOLYAQFQ-YIZRAAEISA-N 1 0 141.258 2.016 10 0 AEAERO CC(C)[C@H](C)[C@@H]1CC[C@@H]1[NH3+] 306541629 345415757 /nfs/dbraw/zinc/41/57/57/345415757.db2.gz PZUQZMNOLYAQFQ-CIUDSAMLSA-N 1 0 141.258 2.016 10 0 AEAERO CC(C)[C@H](C)[C@H]1CC[C@H]1[NH3+] 306541636 345415767 /nfs/dbraw/zinc/41/57/67/345415767.db2.gz PZUQZMNOLYAQFQ-DJLDLDEBSA-N 1 0 141.258 2.016 10 0 AEAERO CC(C)C(=[NH2+])N[C@@H]1CCC1(C)C 306541777 345415906 /nfs/dbraw/zinc/41/59/06/345415906.db2.gz YEIQEXRLIJOUMP-MRVPVSSYSA-N 1 0 168.284 2.398 10 0 AEAERO C1CC([NH2+][C@@H]2CC[C@H]3C[C@H]32)CCS1 306542169 345415949 /nfs/dbraw/zinc/41/59/49/345415949.db2.gz YSMMBBIKYRXREH-JMJZKYOTSA-N 1 0 197.347 2.270 10 0 AEAERO CC(C)C(=[NH2+])N[C@H]1CCC1(C)C 306541778 345416104 /nfs/dbraw/zinc/41/61/04/345416104.db2.gz YEIQEXRLIJOUMP-QMMMGPOBSA-N 1 0 168.284 2.398 10 0 AEAERO C1CC([NH2+][C@@H]2CC[C@@H]3C[C@@H]32)CCS1 306542166 345416254 /nfs/dbraw/zinc/41/62/54/345416254.db2.gz YSMMBBIKYRXREH-DVVUODLYSA-N 1 0 197.347 2.270 10 0 AEAERO C1CCC([C@@H]2[NH2+]CC23CCC3)C1 306542444 345416610 /nfs/dbraw/zinc/41/66/10/345416610.db2.gz YXEZVZYWQYTKOZ-JTQLQIEISA-N 1 0 165.280 2.319 10 0 AEAERO C1CCC([C@H]2[NH2+]CC23CCC3)C1 306542445 345416813 /nfs/dbraw/zinc/41/68/13/345416813.db2.gz YXEZVZYWQYTKOZ-SNVBAGLBSA-N 1 0 165.280 2.319 10 0 AEAERO CC1(C)CC[N@H+](Cc2cc[nH]c2)C1 306542343 345416838 /nfs/dbraw/zinc/41/68/38/345416838.db2.gz QQCKXLNYOVSSIR-UHFFFAOYSA-N 1 0 178.279 2.247 10 0 AEAERO Cc1cn(CC[NH+]2CCCC2)cc1C 306543649 345417780 /nfs/dbraw/zinc/41/77/80/345417780.db2.gz SRCJRQJFTXNBRS-UHFFFAOYSA-N 1 0 192.306 2.201 10 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/nfs/dbraw/zinc/41/98/39/345419839.db2.gz WACJQADFLGWWEO-ZYHUDNBSSA-N 1 0 198.354 2.234 10 0 AEAERO CC[C@@](C)([C@H](C)N)[N@@H+]1CCC(C)(C)C1 306545758 345419904 /nfs/dbraw/zinc/41/99/04/345419904.db2.gz WACJQADFLGWWEO-JQWIXIFHSA-N 1 0 198.354 2.234 10 0 AEAERO CC1(C)C[N@@H+](C2CCC2)CCS1 306546187 345420262 /nfs/dbraw/zinc/42/02/62/345420262.db2.gz HOLFVMKHYJVFSL-UHFFFAOYSA-N 1 0 185.336 2.366 10 0 AEAERO C/C(=C/C1CCC1)[C@H]1CCC[NH2+]1 306546156 345420286 /nfs/dbraw/zinc/42/02/86/345420286.db2.gz AFWXERARDCZDFF-TYBABMIJSA-N 1 0 165.280 2.485 10 0 AEAERO CC(C)=C[C@](C)(F)[C@@H]1CC[NH2+]C1 306546174 345420288 /nfs/dbraw/zinc/42/02/88/345420288.db2.gz AGPRVCCEHHRFJT-ZJUUUORDSA-N 1 0 171.259 2.290 10 0 AEAERO CC(C)=C[C@@](C)(F)[C@@H]1CC[NH2+]C1 306546170 345420292 /nfs/dbraw/zinc/42/02/92/345420292.db2.gz AGPRVCCEHHRFJT-NXEZZACHSA-N 1 0 171.259 2.290 10 0 AEAERO C[C@@H](CC1CCC1)Nc1c[nH]cn1 306545877 345420317 /nfs/dbraw/zinc/42/03/17/345420317.db2.gz WHFSPRDNMRROID-QMMMGPOBSA-N 1 0 179.267 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CC[C@]1(C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 306546110 345420479 /nfs/dbraw/zinc/42/04/79/345420479.db2.gz ADQUMULYRQDNNE-FIQHERPVSA-N 1 0 197.322 2.332 10 0 AEAERO CC[C@H](C)[C@@H](C)[C@H]1C=CC[NH2+]1 306545928 345420522 /nfs/dbraw/zinc/42/05/22/345420522.db2.gz WKHQWKPTVQNVJA-IVZWLZJFSA-N 1 0 153.269 2.197 10 0 AEAERO CC1(C)C[C@H](C2([NH3+])CCC2)C(C)(C)O1 306545888 345420550 /nfs/dbraw/zinc/42/05/50/345420550.db2.gz WHKDNTQVTGOFMK-VIFPVBQESA-N 1 0 197.322 2.462 10 0 AEAERO CC[C@H](C)[C@H](C)[C@@H]1C=CC[NH2+]1 306545926 345420576 /nfs/dbraw/zinc/42/05/76/345420576.db2.gz WKHQWKPTVQNVJA-GUBZILKMSA-N 1 0 153.269 2.197 10 0 AEAERO CC[C@]1(C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C)C1 306546114 345420583 /nfs/dbraw/zinc/42/05/83/345420583.db2.gz ADQUMULYRQDNNE-WISYIIOYSA-N 1 0 197.322 2.332 10 0 AEAERO CC1(C)C[C@@H](C2([NH3+])CCC2)C(C)(C)O1 306545884 345420628 /nfs/dbraw/zinc/42/06/28/345420628.db2.gz WHKDNTQVTGOFMK-SECBINFHSA-N 1 0 197.322 2.462 10 0 AEAERO CC(C)=C[C@](C)(F)[C@H]1CC[NH2+]C1 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155.285 2.422 10 0 AEAERO CC1(C)CCC[C@@H]1[C@@H]([NH3+])C1=COCC1 306546678 345421661 /nfs/dbraw/zinc/42/16/61/345421661.db2.gz BUVIRXFMJZYILI-MNOVXSKESA-N 1 0 195.306 2.444 10 0 AEAERO CC1(C)CCC[C@@H]1[C@H]([NH3+])C1=COCC1 306546675 345421647 /nfs/dbraw/zinc/42/16/47/345421647.db2.gz BUVIRXFMJZYILI-GHMZBOCLSA-N 1 0 195.306 2.444 10 0 AEAERO CC1(C)CCC[C@H]1[C@@H]([NH3+])C1=COCC1 306546679 345421686 /nfs/dbraw/zinc/42/16/86/345421686.db2.gz BUVIRXFMJZYILI-QWRGUYRKSA-N 1 0 195.306 2.444 10 0 AEAERO C[C@@H](/C=C/C[NH3+])C(C)(C)C 306547909 345422391 /nfs/dbraw/zinc/42/23/91/345422391.db2.gz FFZQPGCDPASVMP-GJIOHYHPSA-N 1 0 141.258 2.184 10 0 AEAERO CC(C)[C@H](C)[C@]1(F)CCC[NH2+]C1 306547906 345422395 /nfs/dbraw/zinc/42/23/95/345422395.db2.gz XOOZDAKTTAPSEO-UWVGGRQHSA-N 1 0 173.275 2.370 10 0 AEAERO Cc1c(Cl)ccc(C2C[NH2+]C2)c1F 306547818 345422441 /nfs/dbraw/zinc/42/24/41/345422441.db2.gz GDTUXYDACFCFIV-UHFFFAOYSA-N 1 0 199.656 2.474 10 0 AEAERO C[C@@H]1CCC[N@H+](CC2(F)CC2)C1 306548103 345422576 /nfs/dbraw/zinc/42/25/76/345422576.db2.gz NPJOXFYHDPUPBF-SECBINFHSA-N 1 0 171.259 2.220 10 0 AEAERO Cc1nc([C@@H](C)[NH3+])cn1C1CCCC1 306547858 345422593 /nfs/dbraw/zinc/42/25/93/345422593.db2.gz XLTJFGILTNTWPZ-MRVPVSSYSA-N 1 0 193.294 2.326 10 0 AEAERO CC(C)[C@@H](C)[C@@]1(F)CCC[NH2+]C1 306547904 345422619 /nfs/dbraw/zinc/42/26/19/345422619.db2.gz XOOZDAKTTAPSEO-NXEZZACHSA-N 1 0 173.275 2.370 10 0 AEAERO CC(C)[C@@H](C)[C@]1(F)CCC[NH2+]C1 306547910 345422679 /nfs/dbraw/zinc/42/26/79/345422679.db2.gz XOOZDAKTTAPSEO-ZJUUUORDSA-N 1 0 173.275 2.370 10 0 AEAERO CC(C)[C@H](C)[C@@]1(F)CCC[NH2+]C1 306547908 345422703 /nfs/dbraw/zinc/42/27/03/345422703.db2.gz XOOZDAKTTAPSEO-VHSXEESVSA-N 1 0 173.275 2.370 10 0 AEAERO C[C@H](/C=C/C[NH3+])C(C)(C)C 306547914 345422772 /nfs/dbraw/zinc/42/27/72/345422772.db2.gz FFZQPGCDPASVMP-HQZHTGGTSA-N 1 0 141.258 2.184 10 0 AEAERO C[C@](F)(c1ccoc1)[C@@H]1CC[NH2+]C1 306548463 345423057 /nfs/dbraw/zinc/42/30/57/345423057.db2.gz BQNRTMKFYWZFOE-PSASIEDQSA-N 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CCCNC(=[NH2+])c1cc(C)cc(C)n1 306548792 345423660 /nfs/dbraw/zinc/42/36/60/345423660.db2.gz XTMYYAQCQMDRBT-UHFFFAOYSA-N 1 0 191.278 2.023 10 0 AEAERO CCC(=O)C[N@@H+]1CCCC12CCCC2 306548661 345423669 /nfs/dbraw/zinc/42/36/69/345423669.db2.gz CXSJFFNSCNFIKW-UHFFFAOYSA-N 1 0 195.306 2.374 10 0 AEAERO Fc1ccc(C2=CCC[NH2+]C2)c(F)c1 306549423 345423948 /nfs/dbraw/zinc/42/39/48/345423948.db2.gz YMLXVDAKWVKDFN-UHFFFAOYSA-N 1 0 195.212 2.342 10 0 AEAERO CCOc1cccc([C@H]2C=CC[NH2+]2)c1 306549458 345423998 /nfs/dbraw/zinc/42/39/98/345423998.db2.gz YQACBVOPQNEKRJ-GFCCVEGCSA-N 1 0 189.258 2.286 10 0 AEAERO C1=C(C[C@@H]2CCC[NH2+]2)CCC1 306549711 345424582 /nfs/dbraw/zinc/42/45/82/345424582.db2.gz CCXIHFQJBZYLGL-JTQLQIEISA-N 1 0 151.253 2.239 10 0 AEAERO CC1(C)[C@H]([NH3+])[C@]12CCC[C@H]1C[C@H]12 306549499 345424590 /nfs/dbraw/zinc/42/45/90/345424590.db2.gz HACQDKRUCKACHU-QCBRBAQYSA-N 1 0 165.280 2.160 10 0 AEAERO CCOc1cccc([C@@H]2C=CC[NH2+]2)c1 306549459 345424756 /nfs/dbraw/zinc/42/47/56/345424756.db2.gz YQACBVOPQNEKRJ-LBPRGKRZSA-N 1 0 189.258 2.286 10 0 AEAERO C1=C(C[C@H]2CCC[NH2+]2)CCC1 306549712 345424830 /nfs/dbraw/zinc/42/48/30/345424830.db2.gz CCXIHFQJBZYLGL-SNVBAGLBSA-N 1 0 151.253 2.239 10 0 AEAERO C/C(=C1\CCC[NH2+]C1)C(C)C 306549952 345425260 /nfs/dbraw/zinc/42/52/60/345425260.db2.gz YVUFHUGDPUFNLJ-KTKRTIGZSA-N 1 0 153.269 2.342 10 0 AEAERO CC(C)CC[NH+]1[C@@H](C)COC[C@@H]1C 306550023 345425271 /nfs/dbraw/zinc/42/52/71/345425271.db2.gz ZFJKHIUHHKYWQQ-QWRGUYRKSA-N 1 0 185.311 2.142 10 0 AEAERO CC1(C)[C@H]([NH3+])[C@]12CCC[C@@H]1C[C@@H]12 306550045 345425293 /nfs/dbraw/zinc/42/52/93/345425293.db2.gz HACQDKRUCKACHU-UYAYMFIHSA-N 1 0 165.280 2.160 10 0 AEAERO CC(C)CC[NH+]1[C@H](C)COC[C@H]1C 306550021 345425356 /nfs/dbraw/zinc/42/53/56/345425356.db2.gz ZFJKHIUHHKYWQQ-GHMZBOCLSA-N 1 0 185.311 2.142 10 0 AEAERO CC(C)CC[N@@H+]1[C@@H](C)COC[C@H]1C 306550022 345425418 /nfs/dbraw/zinc/42/54/18/345425418.db2.gz ZFJKHIUHHKYWQQ-PHIMTYICSA-N 1 0 185.311 2.142 10 0 AEAERO [NH3+]CC1([C@H]2CCOC3(CCC3)C2)CC1 306549973 345425485 /nfs/dbraw/zinc/42/54/85/345425485.db2.gz YYVQJTOXYGXGGM-JTQLQIEISA-N 1 0 195.306 2.075 10 0 AEAERO [NH3+]CC1([C@@H]2CCOC3(CCC3)C2)CC1 306549974 345425513 /nfs/dbraw/zinc/42/55/13/345425513.db2.gz YYVQJTOXYGXGGM-SNVBAGLBSA-N 1 0 195.306 2.075 10 0 AEAERO CC(C)C1C[NH+](Cc2ccc[nH]2)C1 306551232 345426311 /nfs/dbraw/zinc/42/63/11/345426311.db2.gz ZXPHKMHSRIGVDN-UHFFFAOYSA-N 1 0 178.279 2.103 10 0 AEAERO C[C@H]([C@@H]1OCCC[C@@H]1C[NH3+])C(C)(C)C 306551140 345426368 /nfs/dbraw/zinc/42/63/68/345426368.db2.gz ZTMACXNWODMAHK-MXWKQRLJSA-N 1 0 199.338 2.423 10 0 AEAERO C[C@H]([C@H]1OCCC[C@@H]1C[NH3+])C(C)(C)C 306551138 345426372 /nfs/dbraw/zinc/42/63/72/345426372.db2.gz ZTMACXNWODMAHK-GMTAPVOTSA-N 1 0 199.338 2.423 10 0 AEAERO Cc1sccc1[C@H]1C[C@H]1C[NH3+] 306551357 345426495 /nfs/dbraw/zinc/42/64/95/345426495.db2.gz AFAAXGXGLPGQEO-CBAPKCEASA-N 1 0 167.277 2.119 10 0 AEAERO C[C@H]([C@H]1OCCC[C@H]1C[NH3+])C(C)(C)C 306551142 345426613 /nfs/dbraw/zinc/42/66/13/345426613.db2.gz ZTMACXNWODMAHK-OUAUKWLOSA-N 1 0 199.338 2.423 10 0 AEAERO Cc1sccc1[C@H]1C[C@@H]1C[NH3+] 306551355 345426665 /nfs/dbraw/zinc/42/66/65/345426665.db2.gz AFAAXGXGLPGQEO-APPZFPTMSA-N 1 0 167.277 2.119 10 0 AEAERO C[C@H]([C@@H]1OCCC[C@H]1C[NH3+])C(C)(C)C 306551144 345426669 /nfs/dbraw/zinc/42/66/69/345426669.db2.gz ZTMACXNWODMAHK-VWYCJHECSA-N 1 0 199.338 2.423 10 0 AEAERO Cc1sccc1[C@@H]1C[C@@H]1C[NH3+] 306551362 345426963 /nfs/dbraw/zinc/42/69/63/345426963.db2.gz AFAAXGXGLPGQEO-VXNVDRBHSA-N 1 0 167.277 2.119 10 0 AEAERO Cc1sccc1[C@@H]1C[C@H]1C[NH3+] 306551360 345426998 /nfs/dbraw/zinc/42/69/98/345426998.db2.gz AFAAXGXGLPGQEO-IONNQARKSA-N 1 0 167.277 2.119 10 0 AEAERO CCC1(NC(C)=[NH2+])CCCC1 306552753 345428259 /nfs/dbraw/zinc/42/82/59/345428259.db2.gz DHUUKQOHQBOQQG-UHFFFAOYSA-N 1 0 154.257 2.296 10 0 AEAERO CC[C@@]1([C@H]2CC2(C)C)[NH2+]CCS1 306553673 345428946 /nfs/dbraw/zinc/42/89/46/345428946.db2.gz DPOJQWAMMRDWSI-WCBMZHEXSA-N 1 0 185.336 2.475 10 0 AEAERO C/C(=C/C1CCC1)[C@H]1CC[NH2+]C1 306553631 345428957 /nfs/dbraw/zinc/42/89/57/345428957.db2.gz DMUIRKQJVRRNEA-DVBBHNHCSA-N 1 0 165.280 2.342 10 0 AEAERO CC[C@@]1([C@@H]2CC2(C)C)[NH2+]CCS1 306553671 345429075 /nfs/dbraw/zinc/42/90/75/345429075.db2.gz DPOJQWAMMRDWSI-PSASIEDQSA-N 1 0 185.336 2.475 10 0 AEAERO CC[C@]1([C@@H]2CC2(C)C)[NH2+]CCS1 306553672 345429136 /nfs/dbraw/zinc/42/91/36/345429136.db2.gz DPOJQWAMMRDWSI-SCZZXKLOSA-N 1 0 185.336 2.475 10 0 AEAERO CC(C)CC[C@H]1[NH2+]CCCS1 306554870 345430492 /nfs/dbraw/zinc/43/04/92/345430492.db2.gz CFJGIMIARAYHLZ-VIFPVBQESA-N 1 0 173.325 2.475 10 0 AEAERO CC(C)C1CCC([C@H](O)[C@@H](C)[NH3+])CC1 306555357 345430539 /nfs/dbraw/zinc/43/05/39/345430539.db2.gz BWOKDEHUHLUKQP-HBIQZDMRSA-N 1 0 199.338 2.157 10 0 AEAERO CC(C)CC[C@@H]1[NH2+]CCCS1 306554869 345430649 /nfs/dbraw/zinc/43/06/49/345430649.db2.gz CFJGIMIARAYHLZ-SECBINFHSA-N 1 0 173.325 2.475 10 0 AEAERO C[N@H+](Cc1cc[nH]c1)C1CCCC1 306554889 345430724 /nfs/dbraw/zinc/43/07/24/345430724.db2.gz CHMLUAXOZBCKJO-UHFFFAOYSA-N 1 0 178.279 2.389 10 0 AEAERO CC(C)C1CCC([C@H](O)[C@H](C)[NH3+])CC1 306555358 345430868 /nfs/dbraw/zinc/43/08/68/345430868.db2.gz BWOKDEHUHLUKQP-WNYYMSAVSA-N 1 0 199.338 2.157 10 0 AEAERO CC(C)C1CCC([C@@H](O)[C@H](C)[NH3+])CC1 306555360 345431037 /nfs/dbraw/zinc/43/10/37/345431037.db2.gz BWOKDEHUHLUKQP-XKGSQUFQSA-N 1 0 199.338 2.157 10 0 AEAERO CCC1(C)C[NH+](C[C@H]2CCCC2=O)C1 306555592 345431043 /nfs/dbraw/zinc/43/10/43/345431043.db2.gz MBJCPDLJXFDVAL-SNVBAGLBSA-N 1 0 195.306 2.088 10 0 AEAERO CC[C@@]1(C)C[NH2+][C@H]1c1ccncc1 306555646 345431057 /nfs/dbraw/zinc/43/10/57/345431057.db2.gz HTZDPKNDUPUKHE-QWRGUYRKSA-N 1 0 176.263 2.142 10 0 AEAERO CCC1(C)C[NH+](C[C@@H]2CCCC2=O)C1 306555590 345431126 /nfs/dbraw/zinc/43/11/26/345431126.db2.gz MBJCPDLJXFDVAL-JTQLQIEISA-N 1 0 195.306 2.088 10 0 AEAERO CCC1(C)C[NH+]([C@@H]2CCCCC2=O)C1 306555560 345431152 /nfs/dbraw/zinc/43/11/52/345431152.db2.gz LZXFCQMPOSTLGA-SNVBAGLBSA-N 1 0 195.306 2.230 10 0 AEAERO CC(C)C1CCC([C@@H](O)[C@@H](C)[NH3+])CC1 306555362 345431180 /nfs/dbraw/zinc/43/11/80/345431180.db2.gz BWOKDEHUHLUKQP-YYJSSNLHSA-N 1 0 199.338 2.157 10 0 AEAERO CC[C@]1(C)C[NH2+][C@@H]1c1ccncc1 306555642 345431194 /nfs/dbraw/zinc/43/11/94/345431194.db2.gz HTZDPKNDUPUKHE-GHMZBOCLSA-N 1 0 176.263 2.142 10 0 AEAERO C[C@@H]1C[C@H]([NH2+]C2CCCC2)[C@@H](C)O1 306555479 345431216 /nfs/dbraw/zinc/43/12/16/345431216.db2.gz LVNWROKFHHDJHL-KKZNHRDASA-N 1 0 183.295 2.085 10 0 AEAERO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C1CCCC1 306555484 345431227 /nfs/dbraw/zinc/43/12/27/345431227.db2.gz LVNWROKFHHDJHL-YWVKMMECSA-N 1 0 183.295 2.085 10 0 AEAERO CC[C@]1(C)C[NH2+][C@H]1c1ccncc1 306555647 345431233 /nfs/dbraw/zinc/43/12/33/345431233.db2.gz HTZDPKNDUPUKHE-WDEREUQCSA-N 1 0 176.263 2.142 10 0 AEAERO C[C@@H]1C[C@@H]([NH2+]C2CCCC2)[C@@H](C)O1 306555477 345431266 /nfs/dbraw/zinc/43/12/66/345431266.db2.gz LVNWROKFHHDJHL-FXPVBKGRSA-N 1 0 183.295 2.085 10 0 AEAERO C[C@@H]1O[C@H](C)C[C@H]1[NH2+]C1CCCC1 306555482 345431288 /nfs/dbraw/zinc/43/12/88/345431288.db2.gz LVNWROKFHHDJHL-WCABBAIRSA-N 1 0 183.295 2.085 10 0 AEAERO CC[C@@]1(C)C[NH2+][C@@H]1c1ccncc1 306555644 345431290 /nfs/dbraw/zinc/43/12/90/345431290.db2.gz HTZDPKNDUPUKHE-MNOVXSKESA-N 1 0 176.263 2.142 10 0 AEAERO CCC1(C)C[NH+]([C@H]2CCCCC2=O)C1 306555556 345431298 /nfs/dbraw/zinc/43/12/98/345431298.db2.gz LZXFCQMPOSTLGA-JTQLQIEISA-N 1 0 195.306 2.230 10 0 AEAERO CC[C@H]1CCCC[C@]1(O)C1(C[NH3+])CC1 306556435 345431598 /nfs/dbraw/zinc/43/15/98/345431598.db2.gz IIXNVUWAZYNGIH-CMPLNLGQSA-N 1 0 197.322 2.057 10 0 AEAERO C[C@H]1CC[C@]([NH3+])(COC2CCCC2)C1 306556412 345431631 /nfs/dbraw/zinc/43/16/31/345431631.db2.gz IGEMPWMWEMYJNX-CMPLNLGQSA-N 1 0 197.322 2.463 10 0 AEAERO CC1(C[NH2+]C2CC(O)C2)CCCCC1 306556129 345431640 /nfs/dbraw/zinc/43/16/40/345431640.db2.gz MKVITNDSNVFXIH-UHFFFAOYSA-N 1 0 197.322 2.070 10 0 AEAERO C[C@@H]1CC[C@@]([NH3+])(COC2CCCC2)C1 306556414 345431655 /nfs/dbraw/zinc/43/16/55/345431655.db2.gz IGEMPWMWEMYJNX-PWSUYJOCSA-N 1 0 197.322 2.463 10 0 AEAERO C[C@@H]1CC[C@]([NH3+])(COC2CCCC2)C1 306556415 345431661 /nfs/dbraw/zinc/43/16/61/345431661.db2.gz IGEMPWMWEMYJNX-ZYHUDNBSSA-N 1 0 197.322 2.463 10 0 AEAERO C[C@H]1CC[C@@]([NH3+])(COC2CCCC2)C1 306556413 345431741 /nfs/dbraw/zinc/43/17/41/345431741.db2.gz IGEMPWMWEMYJNX-JQWIXIFHSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@H]1CCCC[C@@]1(O)C1(C[NH3+])CC1 306556436 345431747 /nfs/dbraw/zinc/43/17/47/345431747.db2.gz IIXNVUWAZYNGIH-JQWIXIFHSA-N 1 0 197.322 2.057 10 0 AEAERO CC[C@@H]1CCCC[C@]1(O)C1(C[NH3+])CC1 306556438 345431783 /nfs/dbraw/zinc/43/17/83/345431783.db2.gz IIXNVUWAZYNGIH-ZYHUDNBSSA-N 1 0 197.322 2.057 10 0 AEAERO CC[C@@H]1CCCC[C@@]1(O)C1(C[NH3+])CC1 306556437 345431815 /nfs/dbraw/zinc/43/18/15/345431815.db2.gz IIXNVUWAZYNGIH-PWSUYJOCSA-N 1 0 197.322 2.057 10 0 AEAERO C[C@H](F)CC[N@@H+]1C[C@@H](C)C[C@H]1C 306556873 345432012 /nfs/dbraw/zinc/43/20/12/345432012.db2.gz ILRHCRPQKOIJGT-LPEHRKFASA-N 1 0 173.275 2.465 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@H](C)[C@H]1C 306556663 345432019 /nfs/dbraw/zinc/43/20/19/345432019.db2.gz LRUQRMCVBGTLPA-DJLDLDEBSA-N 1 0 141.258 2.029 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 306556665 345432119 /nfs/dbraw/zinc/43/21/19/345432119.db2.gz LRUQRMCVBGTLPA-HRDYMLBCSA-N 1 0 141.258 2.029 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C 306556673 345432166 /nfs/dbraw/zinc/43/21/66/345432166.db2.gz LRUQRMCVBGTLPA-XHNCKOQMSA-N 1 0 141.258 2.029 10 0 AEAERO C[C@H](F)CC[N@@H+]1C[C@@H](C)C[C@@H]1C 306556871 345432169 /nfs/dbraw/zinc/43/21/69/345432169.db2.gz ILRHCRPQKOIJGT-GUBZILKMSA-N 1 0 173.275 2.465 10 0 AEAERO CC(C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C 306556670 345432298 /nfs/dbraw/zinc/43/22/98/345432298.db2.gz LRUQRMCVBGTLPA-IWSPIJDZSA-N 1 0 141.258 2.029 10 0 AEAERO C[C@H](F)CC[N@@H+]1C[C@H](C)C[C@@H]1C 306556874 345432337 /nfs/dbraw/zinc/43/23/37/345432337.db2.gz ILRHCRPQKOIJGT-UTLUCORTSA-N 1 0 173.275 2.465 10 0 AEAERO C[C@H](F)CC[N@@H+]1C[C@H](C)C[C@H]1C 306556872 345432426 /nfs/dbraw/zinc/43/24/26/345432426.db2.gz ILRHCRPQKOIJGT-KXUCPTDWSA-N 1 0 173.275 2.465 10 0 AEAERO CC(C)C1([N@@H+]2CCC(=O)C[C@H]2C)CC1 306557425 345432955 /nfs/dbraw/zinc/43/29/55/345432955.db2.gz IZTBCQKCQISJCF-SNVBAGLBSA-N 1 0 195.306 2.228 10 0 AEAERO CC(C)C1([N@@H+]2CCC(=O)C[C@@H]2C)CC1 306557424 345433020 /nfs/dbraw/zinc/43/30/20/345433020.db2.gz IZTBCQKCQISJCF-JTQLQIEISA-N 1 0 195.306 2.228 10 0 AEAERO CC(C)[C@@H](N)C[N@@H+]1C[C@@H](C)CC1(C)C 306557965 345433387 /nfs/dbraw/zinc/43/33/87/345433387.db2.gz OMPYOHVOSSRLHJ-QWRGUYRKSA-N 1 0 198.354 2.090 10 0 AEAERO CC(C)[C@H](N)C[N@@H+]1C[C@@H](C)CC1(C)C 306557966 345433422 /nfs/dbraw/zinc/43/34/22/345433422.db2.gz OMPYOHVOSSRLHJ-WDEREUQCSA-N 1 0 198.354 2.090 10 0 AEAERO CC(C)[C@@H](N)C[N@@H+]1C[C@H](C)CC1(C)C 306557964 345433532 /nfs/dbraw/zinc/43/35/32/345433532.db2.gz OMPYOHVOSSRLHJ-MNOVXSKESA-N 1 0 198.354 2.090 10 0 AEAERO CC(C)[C@H](N)C[N@@H+]1C[C@H](C)CC1(C)C 306557963 345433616 /nfs/dbraw/zinc/43/36/16/345433616.db2.gz OMPYOHVOSSRLHJ-GHMZBOCLSA-N 1 0 198.354 2.090 10 0 AEAERO CC[N@H+]([C@H]1CCC[C@H](O)C1)C(C)(C)C 306558123 345433834 /nfs/dbraw/zinc/43/38/34/345433834.db2.gz JVPZFTGXIPSITH-QWRGUYRKSA-N 1 0 199.338 2.410 10 0 AEAERO Cc1ccoc1C[NH2+][C@H]1CC[C@@H]1C 306558336 345433876 /nfs/dbraw/zinc/43/38/76/345433876.db2.gz OOYGQWCKMSBFPE-WPRPVWTQSA-N 1 0 179.263 2.476 10 0 AEAERO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H]1C 306558335 345433909 /nfs/dbraw/zinc/43/39/09/345433909.db2.gz OOYGQWCKMSBFPE-WCBMZHEXSA-N 1 0 179.263 2.476 10 0 AEAERO CC(C)(C)C[C@@]1(C)C[C@@H]([NH3+])CCO1 306558467 345433919 /nfs/dbraw/zinc/43/39/19/345433919.db2.gz PIOQQYVXDQCGRH-GXSJLCMTSA-N 1 0 185.311 2.319 10 0 AEAERO CC[N@H+]([C@@H]1CCC[C@@H](O)C1)C(C)(C)C 306558121 345433928 /nfs/dbraw/zinc/43/39/28/345433928.db2.gz JVPZFTGXIPSITH-GHMZBOCLSA-N 1 0 199.338 2.410 10 0 AEAERO Cc1ccoc1C[NH2+][C@H]1CC[C@H]1C 306558334 345433969 /nfs/dbraw/zinc/43/39/69/345433969.db2.gz OOYGQWCKMSBFPE-SCZZXKLOSA-N 1 0 179.263 2.476 10 0 AEAERO CC[N@H+]([C@@H]1CCC[C@H](O)C1)C(C)(C)C 306558122 345433982 /nfs/dbraw/zinc/43/39/82/345433982.db2.gz JVPZFTGXIPSITH-MNOVXSKESA-N 1 0 199.338 2.410 10 0 AEAERO [NH3+]Cc1cscc1[C@H]1CCCO1 306558306 345434009 /nfs/dbraw/zinc/43/40/09/345434009.db2.gz OKIQPRNQYJLRST-SECBINFHSA-N 1 0 183.276 2.058 10 0 AEAERO [NH3+]Cc1cscc1[C@@H]1CCCO1 306558307 345434048 /nfs/dbraw/zinc/43/40/48/345434048.db2.gz OKIQPRNQYJLRST-VIFPVBQESA-N 1 0 183.276 2.058 10 0 AEAERO Cc1ccoc1C[NH2+][C@@H]1CC[C@H]1C 306558333 345434136 /nfs/dbraw/zinc/43/41/36/345434136.db2.gz OOYGQWCKMSBFPE-PSASIEDQSA-N 1 0 179.263 2.476 10 0 AEAERO CC1(C)OCC[C@@H]1[NH2+]CC1=CCCC1 306559034 345434355 /nfs/dbraw/zinc/43/43/55/345434355.db2.gz AEGMVGUCCZCKIQ-NSHDSACASA-N 1 0 195.306 2.254 10 0 AEAERO CC(C)(C)C[C@]1(C)C[C@@H]([NH3+])CCO1 306558473 345434389 /nfs/dbraw/zinc/43/43/89/345434389.db2.gz PIOQQYVXDQCGRH-ONGXEEELSA-N 1 0 185.311 2.319 10 0 AEAERO CC(C)(C)C[C@]1(C)C[C@H]([NH3+])CCO1 306558469 345434464 /nfs/dbraw/zinc/43/44/64/345434464.db2.gz PIOQQYVXDQCGRH-KOLCDFICSA-N 1 0 185.311 2.319 10 0 AEAERO C[NH2+]Cc1cc(C)c2ncccc2c1 306558901 345434513 /nfs/dbraw/zinc/43/45/13/345434513.db2.gz KWRASGNAXZXLIR-UHFFFAOYSA-N 1 0 186.258 2.263 10 0 AEAERO C[C@H]1[C@@H](C)OCCN1C(=[NH2+])C(C)(C)C 306558759 345434530 /nfs/dbraw/zinc/43/45/30/345434530.db2.gz PTXFUFUCFYUVAB-DTWKUNHWSA-N 1 0 198.310 2.119 10 0 AEAERO CC(C)(C)C[C@@]1(C)C[C@H]([NH3+])CCO1 306558471 345434570 /nfs/dbraw/zinc/43/45/70/345434570.db2.gz PIOQQYVXDQCGRH-MWLCHTKSSA-N 1 0 185.311 2.319 10 0 AEAERO C[C@@H]1OCCN(C(=[NH2+])C(C)(C)C)[C@H]1C 306558760 345434689 /nfs/dbraw/zinc/43/46/89/345434689.db2.gz PTXFUFUCFYUVAB-IUCAKERBSA-N 1 0 198.310 2.119 10 0 AEAERO CC1(C)OCC[C@H]1[NH2+]CC1=CCCC1 306559033 345434717 /nfs/dbraw/zinc/43/47/17/345434717.db2.gz AEGMVGUCCZCKIQ-LLVKDONJSA-N 1 0 195.306 2.254 10 0 AEAERO C[C@@H]1OCCN(C(=[NH2+])C(C)(C)C)[C@@H]1C 306558758 345434721 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AKIIUZRUQCNMSN-DOFRTFSJSA-N 1 0 174.247 2.292 10 0 AEAERO CCC(=[NH2+])N[C@@H](C)C(C)(F)F 306559383 345435339 /nfs/dbraw/zinc/43/53/39/345435339.db2.gz LKAKOVAPRZUDSB-YFKPBYRVSA-N 1 0 164.199 2.007 10 0 AEAERO C[NH2+]C[C@@H]1CCC[C@@H](C2CCCC2)O1 306559312 345435342 /nfs/dbraw/zinc/43/53/42/345435342.db2.gz LFBZZMSABYKFAH-RYUDHWBXSA-N 1 0 197.322 2.334 10 0 AEAERO CC(C)[C@H]([NH3+])[C@H]1CC[C@H]1C 306559792 345435632 /nfs/dbraw/zinc/43/56/32/345435632.db2.gz QLSNDINXLAVHEM-VGMNWLOBSA-N 1 0 141.258 2.016 10 0 AEAERO C[C@H]1CC[C@]([NH3+])(CCCF)C1 306559700 345435635 /nfs/dbraw/zinc/43/56/35/345435635.db2.gz QHUXZBHZGOJBAC-DTWKUNHWSA-N 1 0 159.248 2.254 10 0 AEAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccccc1Cl 306559830 345435641 /nfs/dbraw/zinc/43/56/41/345435641.db2.gz LRKFWDFISAPBBT-HTQZYQBOSA-N 1 0 198.697 2.488 10 0 AEAERO CC(C)[C@H]([NH3+])[C@@H]1CC[C@H]1C 306559791 345435664 /nfs/dbraw/zinc/43/56/64/345435664.db2.gz QLSNDINXLAVHEM-HLTSFMKQSA-N 1 0 141.258 2.016 10 0 AEAERO 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167.277 2.250 10 0 AEAERO Cc1cc([C@@]2([NH3+])C[C@@H]2C)cs1 306649853 345516960 /nfs/dbraw/zinc/51/69/60/345516960.db2.gz DXHIQUNMSZAIII-IMTBSYHQSA-N 1 0 167.277 2.250 10 0 AEAERO Cc1cc([C@]2([NH3+])C[C@@H]2C)cs1 306649858 345516986 /nfs/dbraw/zinc/51/69/86/345516986.db2.gz DXHIQUNMSZAIII-RCOVLWMOSA-N 1 0 167.277 2.250 10 0 AEAERO CC[C@]1(c2csc(C)n2)CCC[NH2+]1 306649930 345517066 /nfs/dbraw/zinc/51/70/66/345517066.db2.gz DZNUFQVGTSWNDX-SNVBAGLBSA-N 1 0 196.319 2.440 10 0 AEAERO CC(C)(C)[C@H]1C[NH2+][C@H]1C1CC1 306650730 345517767 /nfs/dbraw/zinc/51/77/67/345517767.db2.gz FPJCARCHLGJCDC-IUCAKERBSA-N 1 0 153.269 2.031 10 0 AEAERO CC(C)(C)[C@H]1C[NH2+][C@@H]1C1CC1 306650729 345517796 /nfs/dbraw/zinc/51/77/96/345517796.db2.gz FPJCARCHLGJCDC-DTWKUNHWSA-N 1 0 153.269 2.031 10 0 AEAERO CC(C)(C)[C@@H]1C[NH2+][C@H]1C1CC1 306650728 345517895 /nfs/dbraw/zinc/51/78/95/345517895.db2.gz FPJCARCHLGJCDC-BDAKNGLRSA-N 1 0 153.269 2.031 10 0 AEAERO CC(C)(C)[C@@H]1C[NH2+][C@@H]1C1CC1 306651129 345518628 /nfs/dbraw/zinc/51/86/28/345518628.db2.gz FPJCARCHLGJCDC-RKDXNWHRSA-N 1 0 153.269 2.031 10 0 AEAERO CCN(c1nc(C)c[nH]1)C(C)(C)C 306652870 345519136 /nfs/dbraw/zinc/51/91/36/345519136.db2.gz CQGSHHBRBJHMKH-UHFFFAOYSA-N 1 0 181.283 2.343 10 0 AEAERO C[C@@H]1CN(c2cc[nH+]cc2)CCS1 306653399 345519616 /nfs/dbraw/zinc/51/96/16/345519616.db2.gz GULNXIKNFCSYCT-SECBINFHSA-N 1 0 194.303 2.023 10 0 AEAERO C[C@H]1CN(c2cc[nH+]cc2)CCS1 306653404 345519657 /nfs/dbraw/zinc/51/96/57/345519657.db2.gz GULNXIKNFCSYCT-VIFPVBQESA-N 1 0 194.303 2.023 10 0 AEAERO CCc1ccccc1[C@H]1C=CC[NH2+]1 306653644 345519684 /nfs/dbraw/zinc/51/96/84/345519684.db2.gz VDYIXPUZAGKZJQ-GFCCVEGCSA-N 1 0 173.259 2.450 10 0 AEAERO CCc1ccccc1[C@@H]1C=CC[NH2+]1 306653645 345519860 /nfs/dbraw/zinc/51/98/60/345519860.db2.gz VDYIXPUZAGKZJQ-LBPRGKRZSA-N 1 0 173.259 2.450 10 0 AEAERO CC(C)Cc1cc(C[NH3+])cs1 306653804 345519866 /nfs/dbraw/zinc/51/98/66/345519866.db2.gz HBSPVEHRGUHBPP-UHFFFAOYSA-N 1 0 169.293 2.405 10 0 AEAERO CC[C@H]([NH3+])C1CC(C)(C)C1 306656504 345521886 /nfs/dbraw/zinc/52/18/86/345521886.db2.gz LTCIALGLAIPEPP-QMMMGPOBSA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@@H]([NH3+])C1CC(C)(C)C1 306656503 345521997 /nfs/dbraw/zinc/52/19/97/345521997.db2.gz LTCIALGLAIPEPP-MRVPVSSYSA-N 1 0 141.258 2.160 10 0 AEAERO [NH3+]Cc1coc(-c2ccsc2)c1 306658606 345523748 /nfs/dbraw/zinc/52/37/48/345523748.db2.gz IXBZIHMXJWJVKW-UHFFFAOYSA-N 1 0 179.244 2.467 10 0 AEAERO C[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]1[NH3+] 306661645 345525838 /nfs/dbraw/zinc/52/58/38/345525838.db2.gz SCYHIJCELWNQSZ-KATARQTJSA-N 1 0 153.269 2.160 10 0 AEAERO C[C@@H]1[NH+]=C(NCC2CCC2)S[C@H]1C 306660986 345525918 /nfs/dbraw/zinc/52/59/18/345525918.db2.gz NLRHYHFIWBRVLK-YUMQZZPRSA-N 1 0 198.335 2.256 10 0 AEAERO C[C@@H]1CCCC[C@@H]1[C@@H]1C[C@H]1[NH3+] 306661648 345525947 /nfs/dbraw/zinc/52/59/47/345525947.db2.gz SCYHIJCELWNQSZ-XFWSIPNHSA-N 1 0 153.269 2.160 10 0 AEAERO C[C@@H]1CCCC[C@@H]1[C@H]1C[C@@H]1[NH3+] 306661646 345526005 /nfs/dbraw/zinc/52/60/05/345526005.db2.gz SCYHIJCELWNQSZ-RGOKHQFPSA-N 1 0 153.269 2.160 10 0 AEAERO C[C@@H]1CCCC[C@@H]1[C@H]1C[C@H]1[NH3+] 306661647 345526166 /nfs/dbraw/zinc/52/61/66/345526166.db2.gz SCYHIJCELWNQSZ-UTINFBMNSA-N 1 0 153.269 2.160 10 0 AEAERO C[C@@H]1[NH+]=C(NCC2CCC2)S[C@@H]1C 306660984 345526168 /nfs/dbraw/zinc/52/61/68/345526168.db2.gz NLRHYHFIWBRVLK-JGVFFNPUSA-N 1 0 198.335 2.256 10 0 AEAERO C[NH2+][C@H](C)[C@@H]1CCC[C@H]2C[C@H]21 306662092 345526355 /nfs/dbraw/zinc/52/63/55/345526355.db2.gz PCRAEUMKAPLSKY-XFWSIPNHSA-N 1 0 153.269 2.031 10 0 AEAERO C[NH2+][C@H](C)[C@@H]1CCC[C@@H]2C[C@@H]21 306662090 345526582 /nfs/dbraw/zinc/52/65/82/345526582.db2.gz PCRAEUMKAPLSKY-IMSYWVGJSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C 306662888 345526992 /nfs/dbraw/zinc/52/69/92/345526992.db2.gz QBVPNMWRYQNXSO-QCLAVDOMSA-N 1 0 153.269 2.173 10 0 AEAERO CCC1(Nc2cc(N)cc[nH+]2)CC1 306663065 345527190 /nfs/dbraw/zinc/52/71/90/345527190.db2.gz QGINBTWRKJVKCF-UHFFFAOYSA-N 1 0 177.251 2.018 10 0 AEAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C 306662889 345527211 /nfs/dbraw/zinc/52/72/11/345527211.db2.gz QBVPNMWRYQNXSO-ZYUZMQFOSA-N 1 0 153.269 2.173 10 0 AEAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H]2C=C[C@H]1C2 306664608 345528200 /nfs/dbraw/zinc/52/82/00/345528200.db2.gz SEOOAKJAIUFNMI-GCHJQGSQSA-N 1 0 177.291 2.339 10 0 AEAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2C=C[C@H]1C2 306664609 345528259 /nfs/dbraw/zinc/52/82/59/345528259.db2.gz SEOOAKJAIUFNMI-LDMBFOFVSA-N 1 0 177.291 2.339 10 0 AEAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2C=C[C@H]1C2 306664610 345528400 /nfs/dbraw/zinc/52/84/00/345528400.db2.gz SEOOAKJAIUFNMI-RMPHRYRLSA-N 1 0 177.291 2.339 10 0 AEAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@H]2C=C[C@H]1C2 306664611 345528443 /nfs/dbraw/zinc/52/84/43/345528443.db2.gz SEOOAKJAIUFNMI-ZIQFBCGOSA-N 1 0 177.291 2.339 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C)[C@@H](c2ccsc2)O1 306665850 345528669 /nfs/dbraw/zinc/52/86/69/345528669.db2.gz UKPZBTLEIJFDGV-MRTMQBJTSA-N 1 0 197.303 2.186 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C)[C@H](c2ccsc2)O1 306665851 345528743 /nfs/dbraw/zinc/52/87/43/345528743.db2.gz UKPZBTLEIJFDGV-NQMVMOMDSA-N 1 0 197.303 2.186 10 0 AEAERO C[C@@H]1[NH2+]C[C@@H](C)O[C@H]1c1ccsc1 306665849 345528898 /nfs/dbraw/zinc/52/88/98/345528898.db2.gz UKPZBTLEIJFDGV-KHQFGBGNSA-N 1 0 197.303 2.186 10 0 AEAERO C[C@@H]1[NH2+]C[C@@H](C)O[C@@H]1c1ccsc1 306665852 345529154 /nfs/dbraw/zinc/52/91/54/345529154.db2.gz UKPZBTLEIJFDGV-WEDXCCLWSA-N 1 0 197.303 2.186 10 0 AEAERO Cc1nc([C@H]2CCCC[C@@H]2[NH3+])cs1 306667467 345529912 /nfs/dbraw/zinc/52/99/12/345529912.db2.gz VNSCUZKKASSTDF-IUCAKERBSA-N 1 0 196.319 2.436 10 0 AEAERO Cc1nc([C@@H]2CCCC[C@H]2[NH3+])cs1 306667468 345529963 /nfs/dbraw/zinc/52/99/63/345529963.db2.gz VNSCUZKKASSTDF-RKDXNWHRSA-N 1 0 196.319 2.436 10 0 AEAERO Cc1nc([C@H]2CCCC[C@H]2[NH3+])cs1 306667466 345530309 /nfs/dbraw/zinc/53/03/09/345530309.db2.gz VNSCUZKKASSTDF-DTWKUNHWSA-N 1 0 196.319 2.436 10 0 AEAERO Cc1nc([C@@H]2CCCC[C@@H]2[NH3+])cs1 306667465 345530382 /nfs/dbraw/zinc/53/03/82/345530382.db2.gz VNSCUZKKASSTDF-BDAKNGLRSA-N 1 0 196.319 2.436 10 0 AEAERO CCc1nc(/C=C/[C@H](C)[NH3+])cs1 306668560 345531412 /nfs/dbraw/zinc/53/14/12/345531412.db2.gz FVODXDLCRPDRET-KPJROHGDSA-N 1 0 182.292 2.066 10 0 AEAERO CCc1nc(/C=C/[C@@H](C)[NH3+])cs1 306668565 345531298 /nfs/dbraw/zinc/53/12/98/345531298.db2.gz FVODXDLCRPDRET-SMMXGFFBSA-N 1 0 182.292 2.066 10 0 AEAERO CC1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 306668615 345531440 /nfs/dbraw/zinc/53/14/40/345531440.db2.gz FXAVGJKEMACDLA-MMVSWEMESA-N 1 0 197.322 2.068 10 0 AEAERO C[N@H+](C1CCCC1)[C@H]1CCC[C@@]1(C)O 306669521 345531722 /nfs/dbraw/zinc/53/17/22/345531722.db2.gz LFLJAMNXCGZARC-NWDGAFQWSA-N 1 0 197.322 2.164 10 0 AEAERO C[N@H+](C1CCCC1)[C@H]1CCC[C@]1(C)O 306669522 345531817 /nfs/dbraw/zinc/53/18/17/345531817.db2.gz LFLJAMNXCGZARC-RYUDHWBXSA-N 1 0 197.322 2.164 10 0 AEAERO CC(C)[C@H](C)[N@@H+]1CCC[C@H](CO)CC1 306669471 345531831 /nfs/dbraw/zinc/53/18/31/345531831.db2.gz LCTFVGRLVUDOCR-RYUDHWBXSA-N 1 0 199.338 2.125 10 0 AEAERO C[N@H+](C1CCCC1)[C@@H]1CCC[C@]1(C)O 306669520 345531836 /nfs/dbraw/zinc/53/18/36/345531836.db2.gz LFLJAMNXCGZARC-NEPJUHHUSA-N 1 0 197.322 2.164 10 0 AEAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@H](CO)CC1 306669469 345531852 /nfs/dbraw/zinc/53/18/52/345531852.db2.gz LCTFVGRLVUDOCR-NEPJUHHUSA-N 1 0 199.338 2.125 10 0 AEAERO C[N@H+](C1CCCC1)[C@@H]1CCC[C@@]1(C)O 306669523 345531905 /nfs/dbraw/zinc/53/19/05/345531905.db2.gz LFLJAMNXCGZARC-VXGBXAGGSA-N 1 0 197.322 2.164 10 0 AEAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](CO)CC1 306669472 345531929 /nfs/dbraw/zinc/53/19/29/345531929.db2.gz LCTFVGRLVUDOCR-VXGBXAGGSA-N 1 0 199.338 2.125 10 0 AEAERO c1ccc([C@@H]2C[NH2+][C@@H]2C2CC2)cc1 306671446 345533006 /nfs/dbraw/zinc/53/30/06/345533006.db2.gz YWFHHTYPTUCAIE-NWDGAFQWSA-N 1 0 173.259 2.152 10 0 AEAERO c1ccc([C@H]2C[NH2+][C@@H]2C2CC2)cc1 306671448 345533028 /nfs/dbraw/zinc/53/30/28/345533028.db2.gz YWFHHTYPTUCAIE-VXGBXAGGSA-N 1 0 173.259 2.152 10 0 AEAERO c1ccc([C@H]2C[NH2+][C@H]2C2CC2)cc1 306671445 345533036 /nfs/dbraw/zinc/53/30/36/345533036.db2.gz YWFHHTYPTUCAIE-NEPJUHHUSA-N 1 0 173.259 2.152 10 0 AEAERO CC(C)[C@@H]1[NH2+]C[C@@H]1C1CCCC1 306671150 345533078 /nfs/dbraw/zinc/53/30/78/345533078.db2.gz YKKIBGFBVGCQMZ-MNOVXSKESA-N 1 0 167.296 2.421 10 0 AEAERO CC(C)[C@H]1[NH2+]C[C@@H]1C1CCCC1 306671149 345533155 /nfs/dbraw/zinc/53/31/55/345533155.db2.gz YKKIBGFBVGCQMZ-GHMZBOCLSA-N 1 0 167.296 2.421 10 0 AEAERO c1ccc([C@@H]2C[NH2+][C@H]2C2CC2)cc1 306671447 345533204 /nfs/dbraw/zinc/53/32/04/345533204.db2.gz YWFHHTYPTUCAIE-RYUDHWBXSA-N 1 0 173.259 2.152 10 0 AEAERO C/C=C/C[NH2+][C@@H]1C=CCCC1 306671274 345533338 /nfs/dbraw/zinc/53/33/38/345533338.db2.gz YLUOHDCBDYPIGT-VMZHVLLKSA-N 1 0 151.253 2.261 10 0 AEAERO CC(C)[C@@H]1[NH2+]C[C@H]1C1CCCC1 306671151 345533343 /nfs/dbraw/zinc/53/33/43/345533343.db2.gz YKKIBGFBVGCQMZ-QWRGUYRKSA-N 1 0 167.296 2.421 10 0 AEAERO C/C=C/C[NH2+][C@H]1C=CCCC1 306671273 345533402 /nfs/dbraw/zinc/53/34/02/345533402.db2.gz YLUOHDCBDYPIGT-PBKGFPTLSA-N 1 0 151.253 2.261 10 0 AEAERO CC(C)[C@H]1[NH2+]C[C@H]1C1CCCC1 306671252 345533412 /nfs/dbraw/zinc/53/34/12/345533412.db2.gz YKKIBGFBVGCQMZ-WDEREUQCSA-N 1 0 167.296 2.421 10 0 AEAERO Cc1cocc1[C@H]([NH3+])[C@H]1C[C@@H]1C 306672349 345533778 /nfs/dbraw/zinc/53/37/78/345533778.db2.gz AGAIJOYAKYRJHP-KADJCCMJSA-N 1 0 165.236 2.244 10 0 AEAERO Cc1cocc1[C@H]([NH3+])[C@@H]1C[C@H]1C 306672347 345533782 /nfs/dbraw/zinc/53/37/82/345533782.db2.gz AGAIJOYAKYRJHP-GTNGPMTGSA-N 1 0 165.236 2.244 10 0 AEAERO Cc1cocc1[C@H]([NH3+])[C@@H]1C[C@@H]1C 306672353 345533805 /nfs/dbraw/zinc/53/38/05/345533805.db2.gz AGAIJOYAKYRJHP-SKWCMTHISA-N 1 0 165.236 2.244 10 0 AEAERO CC(C)C1(Nc2[nH+]ccn2C)CC1 306672018 345533876 /nfs/dbraw/zinc/53/38/76/345533876.db2.gz ZTEHYYNZHLCNMU-UHFFFAOYSA-N 1 0 179.267 2.021 10 0 AEAERO Cc1cocc1[C@H]([NH3+])[C@H]1C[C@H]1C 306672351 345533895 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345630552 /nfs/dbraw/zinc/63/05/52/345630552.db2.gz WPKFOFZUDNLFQI-WCABBAIRSA-N 1 0 195.262 2.013 10 0 AEAERO C1CC([C@@H]2[NH2+]C[C@H]2C2CCC2)C1 306812200 345630897 /nfs/dbraw/zinc/63/08/97/345630897.db2.gz YPJLCPKBBXLCIX-QWRGUYRKSA-N 1 0 165.280 2.175 10 0 AEAERO C[C@H]1CC/C(=C/c2cncs2)C[NH2+]1 306813039 345631077 /nfs/dbraw/zinc/63/10/77/345631077.db2.gz AMIKGEJPPORHSO-ZKUGPGMGSA-N 1 0 194.303 2.298 10 0 AEAERO Cc1csc([C@@H]([NH3+])C2=COCC2)c1 306812633 345631115 /nfs/dbraw/zinc/63/11/15/345631115.db2.gz ZTWFQHKZXCTDQW-JTQLQIEISA-N 1 0 195.287 2.361 10 0 AEAERO CC/C=C(/C)C[C@H]1CCC[NH2+]1 306813152 345631172 /nfs/dbraw/zinc/63/11/72/345631172.db2.gz CKSBTZZHVRQWSJ-HYHWUIIZSA-N 1 0 153.269 2.485 10 0 AEAERO CC/C=C(/C)C[C@@H]1CCC[NH2+]1 306813147 345631181 /nfs/dbraw/zinc/63/11/81/345631181.db2.gz CKSBTZZHVRQWSJ-BSKOKIOFSA-N 1 0 153.269 2.485 10 0 AEAERO Cc1csc([C@H]([NH3+])C2=COCC2)c1 306812634 345631307 /nfs/dbraw/zinc/63/13/07/345631307.db2.gz ZTWFQHKZXCTDQW-SNVBAGLBSA-N 1 0 195.287 2.361 10 0 AEAERO C[C@@H]1CC/C(=C/c2cncs2)C[NH2+]1 306813035 345631356 /nfs/dbraw/zinc/63/13/56/345631356.db2.gz AMIKGEJPPORHSO-HMXLAXJASA-N 1 0 194.303 2.298 10 0 AEAERO CCC1(Nc2cccc(N)[nH+]2)CC1 306813957 345631669 /nfs/dbraw/zinc/63/16/69/345631669.db2.gz ANQMPHWUXDCUOH-UHFFFAOYSA-N 1 0 177.251 2.018 10 0 AEAERO CC(C)=C1CC[C@H]2C[NH2+]C[C@@H]2C1 306814170 345631709 /nfs/dbraw/zinc/63/17/09/345631709.db2.gz BRPIPEKEWQKITQ-QWRGUYRKSA-N 1 0 165.280 2.342 10 0 AEAERO CC(C)=C1CC[C@@H]2C[NH2+]C[C@@H]2C1 306814168 345631792 /nfs/dbraw/zinc/63/17/92/345631792.db2.gz BRPIPEKEWQKITQ-MNOVXSKESA-N 1 0 165.280 2.342 10 0 AEAERO CC(C)=C1CC[C@H]2C[NH2+]C[C@H]2C1 306814172 345631795 /nfs/dbraw/zinc/63/17/95/345631795.db2.gz BRPIPEKEWQKITQ-WDEREUQCSA-N 1 0 165.280 2.342 10 0 AEAERO CC(C)=C1CC[C@@H]2C[NH2+]C[C@H]2C1 306814165 345631945 /nfs/dbraw/zinc/63/19/45/345631945.db2.gz BRPIPEKEWQKITQ-GHMZBOCLSA-N 1 0 165.280 2.342 10 0 AEAERO C[C@@H]([NH3+])[C@H](O)C1(C)CCCCCC1 306815225 345632302 /nfs/dbraw/zinc/63/23/02/345632302.db2.gz DCRVVTZHBYDDGW-ZJUUUORDSA-N 1 0 185.311 2.055 10 0 AEAERO C[C@@H]1C[NH+]=C(SC2CCCCC2)N1 306815262 345632391 /nfs/dbraw/zinc/63/23/91/345632391.db2.gz DEJUMKLZCOWCFG-MRVPVSSYSA-N 1 0 198.335 2.400 10 0 AEAERO C[C@H]1C[NH+]=C(SC2CCCCC2)N1 306815263 345632399 /nfs/dbraw/zinc/63/23/99/345632399.db2.gz DEJUMKLZCOWCFG-QMMMGPOBSA-N 1 0 198.335 2.400 10 0 AEAERO C[C@H]([NH3+])[C@@H](O)C1(C)CCCCCC1 306815222 345632441 /nfs/dbraw/zinc/63/24/41/345632441.db2.gz DCRVVTZHBYDDGW-VHSXEESVSA-N 1 0 185.311 2.055 10 0 AEAERO C[C@H]([NH3+])[C@H](O)C1(C)CCCCCC1 306815219 345632461 /nfs/dbraw/zinc/63/24/61/345632461.db2.gz DCRVVTZHBYDDGW-UWVGGRQHSA-N 1 0 185.311 2.055 10 0 AEAERO Cc1cnc([C@H]2[NH2+]CC2(C)C)s1 306816121 345632758 /nfs/dbraw/zinc/63/27/58/345632758.db2.gz CZVFWXITFJADGV-SSDOTTSWSA-N 1 0 182.292 2.122 10 0 AEAERO Cc1cocc1[C@H](C)[C@@H](C)[NH3+] 306816425 345632793 /nfs/dbraw/zinc/63/27/93/345632793.db2.gz IQPXXSLHIIOBEC-HTQZYQBOSA-N 1 0 153.225 2.039 10 0 AEAERO CC[NH2+][C@@H]1CC[C@](C)(c2ccc[nH]2)C1 306815868 345632830 /nfs/dbraw/zinc/63/28/30/345632830.db2.gz BEAJALMFMRKWSK-PWSUYJOCSA-N 1 0 192.306 2.434 10 0 AEAERO Cc1cocc1[C@H](C)[C@H](C)[NH3+] 306816450 345632878 /nfs/dbraw/zinc/63/28/78/345632878.db2.gz IQPXXSLHIIOBEC-SFYZADRCSA-N 1 0 153.225 2.039 10 0 AEAERO CC[NH2+][C@H]1CC[C@](C)(c2ccc[nH]2)C1 306815867 345632896 /nfs/dbraw/zinc/63/28/96/345632896.db2.gz BEAJALMFMRKWSK-JQWIXIFHSA-N 1 0 192.306 2.434 10 0 AEAERO CC[NH2+][C@@H]1CC[C@@](C)(c2ccc[nH]2)C1 306815869 345632923 /nfs/dbraw/zinc/63/29/23/345632923.db2.gz BEAJALMFMRKWSK-ZYHUDNBSSA-N 1 0 192.306 2.434 10 0 AEAERO Cc1cocc1[C@@H](C)[C@H](C)[NH3+] 306816454 345632926 /nfs/dbraw/zinc/63/29/26/345632926.db2.gz IQPXXSLHIIOBEC-YUMQZZPRSA-N 1 0 153.225 2.039 10 0 AEAERO CC[NH2+][C@H]1CC[C@@](C)(c2ccc[nH]2)C1 306815866 345633023 /nfs/dbraw/zinc/63/30/23/345633023.db2.gz BEAJALMFMRKWSK-CMPLNLGQSA-N 1 0 192.306 2.434 10 0 AEAERO Cc1cnc([C@@H]2[NH2+]CC2(C)C)s1 306816123 345633031 /nfs/dbraw/zinc/63/30/31/345633031.db2.gz CZVFWXITFJADGV-ZETCQYMHSA-N 1 0 182.292 2.122 10 0 AEAERO C[C@H]1[C@H](C)C[C@H]1NC(=[NH2+])C1CC1 306817479 345633447 /nfs/dbraw/zinc/63/34/47/345633447.db2.gz DNSKKOXMJBORSQ-BKPPORCPSA-N 1 0 166.268 2.008 10 0 AEAERO C[C@@H]1[C@@H](NC(=[NH2+])C2CC2)C[C@H]1C 306817485 345633491 /nfs/dbraw/zinc/63/34/91/345633491.db2.gz DNSKKOXMJBORSQ-FJXKBIBVSA-N 1 0 166.268 2.008 10 0 AEAERO C[C@@H]1C[C@H](NC(=[NH2+])C2CC2)[C@@H]1C 306817475 345633499 /nfs/dbraw/zinc/63/34/99/345633499.db2.gz DNSKKOXMJBORSQ-BHNWBGBOSA-N 1 0 166.268 2.008 10 0 AEAERO C[C@@H]1C[C@@H](NC(=[NH2+])C2CC2)[C@@H]1C 306817492 345633594 /nfs/dbraw/zinc/63/35/94/345633594.db2.gz DNSKKOXMJBORSQ-ZXFLCMHBSA-N 1 0 166.268 2.008 10 0 AEAERO C/C=C(/C)C[C@@H]1CCC[NH2+]1 306819245 345634324 /nfs/dbraw/zinc/63/43/24/345634324.db2.gz CMOSNVSLFCFXHK-CHDHTGKKSA-N 1 0 139.242 2.095 10 0 AEAERO C/C=C(/C)C[C@H]1CCC[NH2+]1 306819250 345634413 /nfs/dbraw/zinc/63/44/13/345634413.db2.gz 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C1=CC[C@@H]([NH2+][C@@H]2CC[C@H]3C[C@H]32)CC1 306820702 345635619 /nfs/dbraw/zinc/63/56/19/345635619.db2.gz DSVOFDKGTALDLI-IRCOFANPSA-N 1 0 177.291 2.483 10 0 AEAERO C1=CC[C@@H]([NH2+][C@H]2CC[C@H]3C[C@H]32)CC1 306820704 345635714 /nfs/dbraw/zinc/63/57/14/345635714.db2.gz DSVOFDKGTALDLI-QCNOEVLYSA-N 1 0 177.291 2.483 10 0 AEAERO C1=CC[C@H]([NH2+][C@H]2CC[C@H]3C[C@H]32)CC1 306820705 345635725 /nfs/dbraw/zinc/63/57/25/345635725.db2.gz DSVOFDKGTALDLI-YFKTTZPYSA-N 1 0 177.291 2.483 10 0 AEAERO C[C@@H]1CCC[C@@]1([NH3+])c1ccccn1 306820735 345635754 /nfs/dbraw/zinc/63/57/54/345635754.db2.gz DTZMXYAHZRJXLT-KOLCDFICSA-N 1 0 176.263 2.056 10 0 AEAERO Cc1ccnc(C)c1NC(=[NH2+])C1CC1 306821850 345636137 /nfs/dbraw/zinc/63/61/37/345636137.db2.gz LJRAYXJLBSWDHH-UHFFFAOYSA-N 1 0 189.262 2.498 10 0 AEAERO CC1(C[C@@H]([NH3+])C2CC2)CCC1 306822442 345636651 /nfs/dbraw/zinc/63/66/51/345636651.db2.gz QNSWLLWEGIWPKA-SECBINFHSA-N 1 0 153.269 2.304 10 0 AEAERO C[C@@H](C[NH+]1CCC1)c1ccccc1 306821878 345636731 /nfs/dbraw/zinc/63/67/31/345636731.db2.gz LRDGYWOBURKORQ-NSHDSACASA-N 1 0 175.275 2.496 10 0 AEAERO C[C@H](C[NH+]1CCC1)c1ccccc1 306821877 345636764 /nfs/dbraw/zinc/63/67/64/345636764.db2.gz LRDGYWOBURKORQ-LLVKDONJSA-N 1 0 175.275 2.496 10 0 AEAERO C[C@H]1[NH2+]CCC/C1=C/C1CC1 306822114 345636768 /nfs/dbraw/zinc/63/67/68/345636768.db2.gz QBZLVLAIXRPRKG-FBHKUJJOSA-N 1 0 151.253 2.095 10 0 AEAERO CC1(C[C@H]([NH3+])C2CC2)CCC1 306822443 345636863 /nfs/dbraw/zinc/63/68/63/345636863.db2.gz QNSWLLWEGIWPKA-VIFPVBQESA-N 1 0 153.269 2.304 10 0 AEAERO C[C@@H]1[NH2+]CCC/C1=C/C1CC1 306822115 345636997 /nfs/dbraw/zinc/63/69/97/345636997.db2.gz QBZLVLAIXRPRKG-LRUQUBRESA-N 1 0 151.253 2.095 10 0 AEAERO [NH3+][C@@H]1CC[C@@H]1c1c[nH]c2ccccc12 306823188 345637454 /nfs/dbraw/zinc/63/74/54/345637454.db2.gz PDMCJVLZPQRXJG-LDYMZIIASA-N 1 0 186.258 2.373 10 0 AEAERO [NH3+][C@H]1CC[C@H]1c1c[nH]c2ccccc12 306823187 345637522 /nfs/dbraw/zinc/63/75/22/345637522.db2.gz PDMCJVLZPQRXJG-KWQFWETISA-N 1 0 186.258 2.373 10 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/nfs/dbraw/zinc/66/41/67/345664167.db2.gz GBOSLZWVCIHSPO-VMPITWQZSA-N 1 0 139.242 2.082 10 0 AEAERO CC(C)=C[C@]1(F)CCC[NH2+][C@@H]1C 306860734 345664188 /nfs/dbraw/zinc/66/41/88/345664188.db2.gz GHMWKUVJUDNLER-NXEZZACHSA-N 1 0 171.259 2.433 10 0 AEAERO CC[C@@H]1SC(NC2CCC2)=[NH+][C@H]1C 306861078 345664415 /nfs/dbraw/zinc/66/44/15/345664415.db2.gz FDQIJJMJYBZSEG-CBAPKCEASA-N 1 0 198.335 2.398 10 0 AEAERO CC[C@@H]1SC(NC2CCC2)=[NH+][C@@H]1C 306861077 345664598 /nfs/dbraw/zinc/66/45/98/345664598.db2.gz FDQIJJMJYBZSEG-APPZFPTMSA-N 1 0 198.335 2.398 10 0 AEAERO CC[C@@H]1C[NH2+]CC[C@]12CC[C@@H]1C[C@@H]12 306860897 345664636 /nfs/dbraw/zinc/66/46/36/345664636.db2.gz FOEMCDMKSPVJIR-WISYIIOYSA-N 1 0 179.307 2.422 10 0 AEAERO CC[C@H]1SC(NC2CCC2)=[NH+][C@H]1C 306861079 345664697 /nfs/dbraw/zinc/66/46/97/345664697.db2.gz FDQIJJMJYBZSEG-IONNQARKSA-N 1 0 198.335 2.398 10 0 AEAERO CC(=[NH2+])NC[C@H]1CCCC1(F)F 306861671 345665061 /nfs/dbraw/zinc/66/50/61/345665061.db2.gz FULMZWCADSITSP-SSDOTTSWSA-N 1 0 176.210 2.009 10 0 AEAERO CC(=[NH2+])NC[C@@H]1CCCC1(F)F 306861673 345665127 /nfs/dbraw/zinc/66/51/27/345665127.db2.gz FULMZWCADSITSP-ZETCQYMHSA-N 1 0 176.210 2.009 10 0 AEAERO CC(C)(F)[C@H]([NH3+])c1cccs1 306862375 345665565 /nfs/dbraw/zinc/66/55/65/345665565.db2.gz IHGWOKRVVBSOON-SSDOTTSWSA-N 1 0 173.256 2.496 10 0 AEAERO CC(C)([NH3+])c1nccc2occc12 306864181 345666889 /nfs/dbraw/zinc/66/68/89/345666889.db2.gz KVXJDUBTIDTRNQ-UHFFFAOYSA-N 1 0 176.219 2.022 10 0 AEAERO CC(C)C[C@@H]([NH3+])c1cccnc1F 306864719 345666935 /nfs/dbraw/zinc/66/69/35/345666935.db2.gz LAXNGZYOEGMYJC-SECBINFHSA-N 1 0 182.242 2.267 10 0 AEAERO CC(=C1CCCC1)[C@@H]1CC[NH2+]C1 306864240 345666981 /nfs/dbraw/zinc/66/69/81/345666981.db2.gz JZSRSMGBYWVQBE-LLVKDONJSA-N 1 0 165.280 2.486 10 0 AEAERO CCCC[C@]1(C)C[NH2+]C[C@@H]1C 306866511 345667817 /nfs/dbraw/zinc/66/78/17/345667817.db2.gz OCDOPPCCIQGDFY-VHSXEESVSA-N 1 0 155.285 2.422 10 0 AEAERO CCCC[C@]1(C)C[NH2+]C[C@H]1C 306866509 345667864 /nfs/dbraw/zinc/66/78/64/345667864.db2.gz OCDOPPCCIQGDFY-NXEZZACHSA-N 1 0 155.285 2.422 10 0 AEAERO CCCC[C@@]1(C)C[NH2+]C[C@@H]1C 306866510 345667960 /nfs/dbraw/zinc/66/79/60/345667960.db2.gz OCDOPPCCIQGDFY-UWVGGRQHSA-N 1 0 155.285 2.422 10 0 AEAERO CCCC[C@@]1(C)C[NH2+]C[C@H]1C 306866512 345668050 /nfs/dbraw/zinc/66/80/50/345668050.db2.gz OCDOPPCCIQGDFY-ZJUUUORDSA-N 1 0 155.285 2.422 10 0 AEAERO C1=C(C[C@H]2CC[NH2+]C2)CCC1 306867040 345668306 /nfs/dbraw/zinc/66/83/06/345668306.db2.gz OYUROJKWTYXCFW-SNVBAGLBSA-N 1 0 151.253 2.096 10 0 AEAERO Cl/C=C/C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 306867671 345668548 /nfs/dbraw/zinc/66/85/48/345668548.db2.gz PVQDPCWZNGFRIZ-CGLDKCPXSA-N 1 0 171.671 2.127 10 0 AEAERO C1=C(C[C@@H]2CC[NH2+]C2)CCC1 306867039 345668573 /nfs/dbraw/zinc/66/85/73/345668573.db2.gz OYUROJKWTYXCFW-JTQLQIEISA-N 1 0 151.253 2.096 10 0 AEAERO [NH3+]CC1(C[C@H]2CCCCO2)CCC1 306869565 345669479 /nfs/dbraw/zinc/66/94/79/345669479.db2.gz SVQOAQAEQIFGBM-SNVBAGLBSA-N 1 0 183.295 2.075 10 0 AEAERO Cc1cc([C@H]([NH3+])[C@@H]2CC2(C)C)sn1 306870589 345670067 /nfs/dbraw/zinc/67/00/67/345670067.db2.gz TUWDBHRKWDQTOF-IONNQARKSA-N 1 0 196.319 2.497 10 0 AEAERO CC(C)C[C@H]1[NH2+]C[C@@H]1C1CC1 306870120 345670161 /nfs/dbraw/zinc/67/01/61/345670161.db2.gz UYYOCIKSQNMIIX-NXEZZACHSA-N 1 0 153.269 2.031 10 0 AEAERO CC(C)C[C@@H]1[NH2+]C[C@@H]1C1CC1 306870146 345670172 /nfs/dbraw/zinc/67/01/72/345670172.db2.gz UYYOCIKSQNMIIX-ZJUUUORDSA-N 1 0 153.269 2.031 10 0 AEAERO Cc1cc([C@H]([NH3+])[C@H]2CC2(C)C)sn1 306870590 345670221 /nfs/dbraw/zinc/67/02/21/345670221.db2.gz TUWDBHRKWDQTOF-VXNVDRBHSA-N 1 0 196.319 2.497 10 0 AEAERO CC(C)C[C@@H]1[NH2+]C[C@H]1C1CC1 306870129 345670242 /nfs/dbraw/zinc/67/02/42/345670242.db2.gz UYYOCIKSQNMIIX-UWVGGRQHSA-N 1 0 153.269 2.031 10 0 AEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CC2(C)C)sn1 306870588 345670271 /nfs/dbraw/zinc/67/02/71/345670271.db2.gz TUWDBHRKWDQTOF-CBAPKCEASA-N 1 0 196.319 2.497 10 0 AEAERO Cc1cc([C@@H]([NH3+])[C@H]2CC2(C)C)sn1 306870587 345670276 /nfs/dbraw/zinc/67/02/76/345670276.db2.gz TUWDBHRKWDQTOF-APPZFPTMSA-N 1 0 196.319 2.497 10 0 AEAERO CC(C)C[C@H]1[NH2+]C[C@H]1C1CC1 306870138 345670283 /nfs/dbraw/zinc/67/02/83/345670283.db2.gz UYYOCIKSQNMIIX-VHSXEESVSA-N 1 0 153.269 2.031 10 0 AEAERO CC/C(C)=C(\C)[C@@H]1CCC[NH2+]1 306870882 345670592 /nfs/dbraw/zinc/67/05/92/345670592.db2.gz UEKGGDZBKOXKHC-DDXVTDLHSA-N 1 0 153.269 2.485 10 0 AEAERO CC/C(C)=C(\C)[C@H]1CCC[NH2+]1 306870881 345670705 /nfs/dbraw/zinc/67/07/05/345670705.db2.gz UEKGGDZBKOXKHC-AAXQSMANSA-N 1 0 153.269 2.485 10 0 AEAERO C1CCC(N[C@@H]2[C@H]3CCCC[C@H]32)=[NH+]C1 306871227 345670789 /nfs/dbraw/zinc/67/07/89/345670789.db2.gz WUIOEBORTORTAP-IAZYJMLFSA-N 1 0 192.306 2.347 10 0 AEAERO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CC2(C)C)S1 306872744 345671161 /nfs/dbraw/zinc/67/11/61/345671161.db2.gz VYSAEJVAONBSCP-NQMVMOMDSA-N 1 0 185.336 2.474 10 0 AEAERO C[C@@H]1C[NH2+][C@@](C)([C@H]2CC2(C)C)S1 306872742 345671211 /nfs/dbraw/zinc/67/12/11/345671211.db2.gz VYSAEJVAONBSCP-KHQFGBGNSA-N 1 0 185.336 2.474 10 0 AEAERO C[C@@H]([NH3+])CC[C@]1(C)CCCS1 306895163 345689226 /nfs/dbraw/zinc/68/92/26/345689226.db2.gz ZVBVGZJAXBZGBR-BDAKNGLRSA-N 1 0 173.325 2.400 10 0 AEAERO CC[C@]1([C@@H]2CC2(C)C)CC[NH2+]1 306874869 345672340 /nfs/dbraw/zinc/67/23/40/345672340.db2.gz ASQUFNIMCDNJEZ-PSASIEDQSA-N 1 0 153.269 2.175 10 0 AEAERO C[C@@H](Nc1ccsc1)[C@@H]1CC[NH2+]C1 306874242 345672383 /nfs/dbraw/zinc/67/23/83/345672383.db2.gz ZKUGFAYLTSVCCQ-RKDXNWHRSA-N 1 0 196.319 2.158 10 0 AEAERO CC[C@@]1([C@@H]2CC2(C)C)CC[NH2+]1 306874870 345672399 /nfs/dbraw/zinc/67/23/99/345672399.db2.gz ASQUFNIMCDNJEZ-SCZZXKLOSA-N 1 0 153.269 2.175 10 0 AEAERO C[C@H](Nc1ccsc1)[C@H]1CC[NH2+]C1 306874241 345672556 /nfs/dbraw/zinc/67/25/56/345672556.db2.gz ZKUGFAYLTSVCCQ-IUCAKERBSA-N 1 0 196.319 2.158 10 0 AEAERO C[C@@H](Nc1ccsc1)[C@H]1CC[NH2+]C1 306874239 345672563 /nfs/dbraw/zinc/67/25/63/345672563.db2.gz ZKUGFAYLTSVCCQ-BDAKNGLRSA-N 1 0 196.319 2.158 10 0 AEAERO CC[C@@]1([C@H]2CC2(C)C)CC[NH2+]1 306874873 345672566 /nfs/dbraw/zinc/67/25/66/345672566.db2.gz ASQUFNIMCDNJEZ-WPRPVWTQSA-N 1 0 153.269 2.175 10 0 AEAERO Cc1cc(F)c(C(C)(C)[NH3+])c(F)c1 306874257 345672576 /nfs/dbraw/zinc/67/25/76/345672576.db2.gz ZLHRUBZMISIIAC-UHFFFAOYSA-N 1 0 185.217 2.467 10 0 AEAERO C[C@H](Nc1ccsc1)[C@@H]1CC[NH2+]C1 306874240 345672622 /nfs/dbraw/zinc/67/26/22/345672622.db2.gz ZKUGFAYLTSVCCQ-DTWKUNHWSA-N 1 0 196.319 2.158 10 0 AEAERO CC[C@]1([C@H]2CC2(C)C)CC[NH2+]1 306874871 345672625 /nfs/dbraw/zinc/67/26/25/345672625.db2.gz ASQUFNIMCDNJEZ-WCBMZHEXSA-N 1 0 153.269 2.175 10 0 AEAERO COc1cc(C2C[NH2+]C2)ccc1Cl 306875173 345672887 /nfs/dbraw/zinc/67/28/87/345672887.db2.gz BRXWGWGMARCAHE-UHFFFAOYSA-N 1 0 197.665 2.035 10 0 AEAERO C[C@H]1C[NH2+]C(C)(C)[C@@H]1C1CC1 306875957 345673548 /nfs/dbraw/zinc/67/35/48/345673548.db2.gz BDPIOSWKBHBBRH-CBAPKCEASA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@H]1C1CC1 306875959 345673566 /nfs/dbraw/zinc/67/35/66/345673566.db2.gz BDPIOSWKBHBBRH-VXNVDRBHSA-N 1 0 153.269 2.031 10 0 AEAERO CC[NH2+][C@@H]1CCCCC1(F)F 306914794 345696478 /nfs/dbraw/zinc/69/64/78/345696478.db2.gz VEYFZILIUQKNMF-SSDOTTSWSA-N 1 0 163.211 2.174 10 0 AEAERO C[C@H]1CC[C@@](F)(C(F)(F)F)C[NH2+]1 306876381 345673607 /nfs/dbraw/zinc/67/36/07/345673607.db2.gz BRVQTDWAVWNBJA-WDSKDSINSA-N 1 0 185.164 2.029 10 0 AEAERO C[C@H]1CC[C@](F)(C(F)(F)F)C[NH2+]1 306876378 345673741 /nfs/dbraw/zinc/67/37/41/345673741.db2.gz BRVQTDWAVWNBJA-NTSWFWBYSA-N 1 0 185.164 2.029 10 0 AEAERO CCC([NH3+])(CC)c1ccns1 306876197 345673752 /nfs/dbraw/zinc/67/37/52/345673752.db2.gz CSLNTXAODPITAA-UHFFFAOYSA-N 1 0 170.281 2.117 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@@H]1C1CC1 306875956 345673834 /nfs/dbraw/zinc/67/38/34/345673834.db2.gz BDPIOSWKBHBBRH-APPZFPTMSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1CC[C@@](F)(C(F)(F)F)C[NH2+]1 306876380 345673865 /nfs/dbraw/zinc/67/38/65/345673865.db2.gz BRVQTDWAVWNBJA-RITPCOANSA-N 1 0 185.164 2.029 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C[C@@H]1C[NH2+]C[C@]1(C)CC1CC1 307537073 346098555 /nfs/dbraw/zinc/09/85/55/346098555.db2.gz MBDZPTKKSDEKFR-SCZZXKLOSA-N 1 0 153.269 2.032 10 0 AEAERO C[C@H]1C[NH2+]C[C@@]1(C)CC1CC1 307537074 346098578 /nfs/dbraw/zinc/09/85/78/346098578.db2.gz MBDZPTKKSDEKFR-WCBMZHEXSA-N 1 0 153.269 2.032 10 0 AEAERO C[C@H]1C[NH2+]C[C@]1(C)CC1CC1 307537075 346098645 /nfs/dbraw/zinc/09/86/45/346098645.db2.gz MBDZPTKKSDEKFR-WPRPVWTQSA-N 1 0 153.269 2.032 10 0 AEAERO C[C@@H]1C[NH2+]C[C@@]1(C)CC1CC1 307537072 346098681 /nfs/dbraw/zinc/09/86/81/346098681.db2.gz MBDZPTKKSDEKFR-PSASIEDQSA-N 1 0 153.269 2.032 10 0 AEAERO [NH3+][C@H](C1=COCC1)c1ccoc1Cl 307537720 346099035 /nfs/dbraw/zinc/09/90/35/346099035.db2.gz RDLCRIFKJPZMLI-MRVPVSSYSA-N 1 0 199.637 2.237 10 0 AEAERO CC1(C)C[C@@H]1[C@@](C)([NH3+])c1nccs1 307539004 346099505 /nfs/dbraw/zinc/09/95/05/346099505.db2.gz PWEZGSBQXZZGAA-OIBJUYFYSA-N 1 0 196.319 2.363 10 0 AEAERO CC1(C)C[C@H]1[C@@](C)([NH3+])c1nccs1 307539003 346099587 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153.269 2.342 10 0 AEAERO C(\CC1CCC1)=C1/CCC[NH2+]C1 307541068 346101547 /nfs/dbraw/zinc/10/15/47/346101547.db2.gz RTCSCXCMYVEIIN-XFFZJAGNSA-N 1 0 165.280 2.486 10 0 AEAERO Cc1cnc([C@H]2[C@@H](C[NH3+])C2(C)C)s1 307542132 346101887 /nfs/dbraw/zinc/10/18/87/346101887.db2.gz YTABAMCSUMVMNY-HTQZYQBOSA-N 1 0 196.319 2.150 10 0 AEAERO Cc1cnc([C@@H]2[C@H](C[NH3+])C2(C)C)s1 307542135 346102042 /nfs/dbraw/zinc/10/20/42/346102042.db2.gz YTABAMCSUMVMNY-YUMQZZPRSA-N 1 0 196.319 2.150 10 0 AEAERO Cc1cnc([C@@H]2[C@@H](C[NH3+])C2(C)C)s1 307542134 346102084 /nfs/dbraw/zinc/10/20/84/346102084.db2.gz YTABAMCSUMVMNY-SFYZADRCSA-N 1 0 196.319 2.150 10 0 AEAERO CC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)CC1(C)C 307542680 346102313 /nfs/dbraw/zinc/10/23/13/346102313.db2.gz ZPUIYQLBRPYHEO-DTWKUNHWSA-N 1 0 183.295 2.084 10 0 AEAERO CC(=O)[C@@H](C)[N@@H+]1C[C@H](C)CC1(C)C 307542686 346102340 /nfs/dbraw/zinc/10/23/40/346102340.db2.gz ZPUIYQLBRPYHEO-RKDXNWHRSA-N 1 0 183.295 2.084 10 0 AEAERO 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/nfs/dbraw/zinc/31/41/65/347314165.db2.gz UMNBZABVHPLTPB-UHFFFAOYSA-N 1 0 194.278 2.071 10 0 AEAERO CC/C=C\C[NH2+]Cc1oc(C)nc1C 628298775 347314505 /nfs/dbraw/zinc/31/45/05/347314505.db2.gz QYLJVTDJGFXFCM-WAYWQWQTSA-N 1 0 194.278 2.347 10 0 AEAERO CC[C@@H]1C[C@H]1C[NH2+]Cc1cnc(C)o1 628299495 347314526 /nfs/dbraw/zinc/31/45/26/347314526.db2.gz QAONDWOUZYYYRB-ZJUUUORDSA-N 1 0 194.278 2.119 10 0 AEAERO Cc1ncc(C[NH2+]C2(C)CC=CC2)o1 628327183 347314644 /nfs/dbraw/zinc/31/46/44/347314644.db2.gz MEYZHSSYZKZHDE-UHFFFAOYSA-N 1 0 192.262 2.181 10 0 AEAERO CC/C=C/C[NH2+]Cc1oc(C)nc1C 628298774 347314708 /nfs/dbraw/zinc/31/47/08/347314708.db2.gz QYLJVTDJGFXFCM-AATRIKPKSA-N 1 0 194.278 2.347 10 0 AEAERO CCC1C[NH+](Cc2oc(C)nc2C)C1 628305079 347314741 /nfs/dbraw/zinc/31/47/41/347314741.db2.gz KKURNBMDTFQKNI-UHFFFAOYSA-N 1 0 194.278 2.133 10 0 AEAERO CCC1([NH2+]Cc2cnc(C)o2)CC1 628297856 347314824 /nfs/dbraw/zinc/31/48/24/347314824.db2.gz NXLJPMOIGLRBDC-UHFFFAOYSA-N 1 0 180.251 2.015 10 0 AEAERO CCC1([NH2+]Cc2oc(C)nc2C)CC1 628298267 347314829 /nfs/dbraw/zinc/31/48/29/347314829.db2.gz ZUZYXRHIIULYES-UHFFFAOYSA-N 1 0 194.278 2.324 10 0 AEAERO Cc1ncc(C[N@@H+](C)C(C)(C)C)o1 628322665 347314881 /nfs/dbraw/zinc/31/48/81/347314881.db2.gz IDEDHJUEQIVFIK-UHFFFAOYSA-N 1 0 182.267 2.213 10 0 AEAERO CC/C=C/C[NH2+]Cc1cnc(C)o1 628298646 347314957 /nfs/dbraw/zinc/31/49/57/347314957.db2.gz MPFJPSMOFSHCBV-SNAWJCMRSA-N 1 0 180.251 2.039 10 0 AEAERO CC/C=C\C[NH2+]Cc1cnc(C)o1 628298645 347314970 /nfs/dbraw/zinc/31/49/70/347314970.db2.gz MPFJPSMOFSHCBV-PLNGDYQASA-N 1 0 180.251 2.039 10 0 AEAERO Cc1ncc(C[NH2+][C@@]2(C)CC2(C)C)o1 628351952 347315464 /nfs/dbraw/zinc/31/54/64/347315464.db2.gz SVDIFPCDPHSLRE-NSHDSACASA-N 1 0 194.278 2.261 10 0 AEAERO Cc1ncc(C[NH2+][C@]2(C)CC2(C)C)o1 628351951 347315552 /nfs/dbraw/zinc/31/55/52/347315552.db2.gz SVDIFPCDPHSLRE-LLVKDONJSA-N 1 0 194.278 2.261 10 0 AEAERO Cc1ncc(C[NH2+]CC2CC(C)C2)o1 628361322 347315711 /nfs/dbraw/zinc/31/57/11/347315711.db2.gz COJNRWAHYCHPJQ-UHFFFAOYSA-N 1 0 194.278 2.119 10 0 AEAERO c1csc(C[N@H+]2C[C@H]3C[C@H]3C2)c1 628407318 347316337 /nfs/dbraw/zinc/31/63/37/347316337.db2.gz DDJWQQWLCUPKEY-DTORHVGOSA-N 1 0 179.288 2.200 10 0 AEAERO Cc1ccc(C[N@H+]2C[C@H]3C[C@H]3C2)o1 628407451 347316364 /nfs/dbraw/zinc/31/63/64/347316364.db2.gz GNVRLOPYRAQTLZ-AOOOYVTPSA-N 1 0 177.247 2.040 10 0 AEAERO c1cc(C[N@H+]2C[C@H]3C[C@H]3C2)cs1 628407224 347316403 /nfs/dbraw/zinc/31/64/03/347316403.db2.gz BSFCBTWLWCNROX-AOOOYVTPSA-N 1 0 179.288 2.200 10 0 AEAERO C1=CC[C@H](C[N@H+]2C[C@H]3C[C@H]3C2)CC1 628408826 347316935 /nfs/dbraw/zinc/31/69/35/347316935.db2.gz HRQLQEFHERTUCJ-SDDRHHMPSA-N 1 0 177.291 2.294 10 0 AEAERO C1=CC[C@@H](C[N@H+]2C[C@H]3C[C@H]3C2)CC1 628408828 347316948 /nfs/dbraw/zinc/31/69/48/347316948.db2.gz HRQLQEFHERTUCJ-UTUOFQBUSA-N 1 0 177.291 2.294 10 0 AEAERO C[C@]1(C[N@H+]2C[C@H]3C[C@H]3C2)CCCS1 628410262 347317375 /nfs/dbraw/zinc/31/73/75/347317375.db2.gz INDUUPAHHMZWCQ-OUAUKWLOSA-N 1 0 197.347 2.224 10 0 AEAERO CCC[C@@H](C)C[N@H+]1C[C@H]2C[C@H]2C1 628410441 347317566 /nfs/dbraw/zinc/31/75/66/347317566.db2.gz LFGDSXJOODIKHP-MXWKQRLJSA-N 1 0 167.296 2.374 10 0 AEAERO CCC[C@H](C)C[N@H+]1C[C@H]2C[C@H]2C1 628410439 347317598 /nfs/dbraw/zinc/31/75/98/347317598.db2.gz LFGDSXJOODIKHP-GARJFASQSA-N 1 0 167.296 2.374 10 0 AEAERO C[C@@]1(C[N@H+]2C[C@H]3C[C@H]3C2)CCCS1 628410259 347317619 /nfs/dbraw/zinc/31/76/19/347317619.db2.gz INDUUPAHHMZWCQ-AXFHLTTASA-N 1 0 197.347 2.224 10 0 AEAERO C/C=C\C[NH2+]Cc1cnc(C2CC2)o1 628459968 347317954 /nfs/dbraw/zinc/31/79/54/347317954.db2.gz AMGREMCGEGFVEH-IHWYPQMZSA-N 1 0 192.262 2.218 10 0 AEAERO CCC(F)(F)C[NH2+]C[C@@H]1C[C@@H]1C 628435512 347317887 /nfs/dbraw/zinc/31/78/87/347317887.db2.gz OSRIBDZAWOJASK-YUMQZZPRSA-N 1 0 177.238 2.277 10 0 AEAERO C1=CC[C@H](CC[NH2+]C2CSC2)CC1 628451785 347317905 /nfs/dbraw/zinc/31/79/05/347317905.db2.gz NAUXUIBQTGBZLM-JTQLQIEISA-N 1 0 197.347 2.438 10 0 AEAERO CCC[C@@H](C)C[NH+]1CC2(CCCO2)C1 628427062 347317911 /nfs/dbraw/zinc/31/79/11/347317911.db2.gz DBDFYBREWYNKFB-LLVKDONJSA-N 1 0 197.322 2.287 10 0 AEAERO c1coc(CC2C[NH+](CC3CC3)C2)c1 628432472 347317922 /nfs/dbraw/zinc/31/79/22/347317922.db2.gz FNVRGNAHENADCM-UHFFFAOYSA-N 1 0 191.274 2.164 10 0 AEAERO CCC(C)(C)OC1C[NH+](CC2CC2)C1 628422400 347317938 /nfs/dbraw/zinc/31/79/38/347317938.db2.gz CMBQMUROADDNLW-UHFFFAOYSA-N 1 0 197.322 2.286 10 0 AEAERO CCC[C@@H](C)C[N@H+](C)CC1(C)COC1 628424056 347318037 /nfs/dbraw/zinc/31/80/37/347318037.db2.gz WFIQJADCBOMZON-LLVKDONJSA-N 1 0 199.338 2.391 10 0 AEAERO CC(C)(C)CC[NH+]1CC2(CCCO2)C1 628427466 347318044 /nfs/dbraw/zinc/31/80/44/347318044.db2.gz DPBGVZPAYRADMC-UHFFFAOYSA-N 1 0 197.322 2.287 10 0 AEAERO CCC(F)(F)C[NH2+]C[C@H]1C[C@@H]1C 628435510 347318078 /nfs/dbraw/zinc/31/80/78/347318078.db2.gz OSRIBDZAWOJASK-JGVFFNPUSA-N 1 0 177.238 2.277 10 0 AEAERO C1=CC[C@@H](CC[NH2+]C2CSC2)CC1 628451786 347318231 /nfs/dbraw/zinc/31/82/31/347318231.db2.gz NAUXUIBQTGBZLM-SNVBAGLBSA-N 1 0 197.347 2.438 10 0 AEAERO CCC(F)(F)C[NH2+]C[C@H]1C[C@H]1C 628435509 347318258 /nfs/dbraw/zinc/31/82/58/347318258.db2.gz OSRIBDZAWOJASK-HTQZYQBOSA-N 1 0 177.238 2.277 10 0 AEAERO C/C=C/C[NH2+]Cc1cnc(C2CC2)o1 628459969 347318280 /nfs/dbraw/zinc/31/82/80/347318280.db2.gz AMGREMCGEGFVEH-NSCUHMNNSA-N 1 0 192.262 2.218 10 0 AEAERO CC(C)CCC[NH+]1CC2(CCCO2)C1 628427473 347318337 /nfs/dbraw/zinc/31/83/37/347318337.db2.gz DXYPWVUZLNHECR-UHFFFAOYSA-N 1 0 197.322 2.287 10 0 AEAERO CCC[C@H](C)C[NH+]1CC2(CCCO2)C1 628427063 347318350 /nfs/dbraw/zinc/31/83/50/347318350.db2.gz DBDFYBREWYNKFB-NSHDSACASA-N 1 0 197.322 2.287 10 0 AEAERO CC1(C[NH+]2CC3(CCCO3)C2)CCC1 628427610 347318355 /nfs/dbraw/zinc/31/83/55/347318355.db2.gz MVHZWARAWHBMTN-UHFFFAOYSA-N 1 0 195.306 2.041 10 0 AEAERO CCC(F)(F)C[NH2+]C[C@@H]1C[C@H]1C 628435511 347318363 /nfs/dbraw/zinc/31/83/63/347318363.db2.gz OSRIBDZAWOJASK-SFYZADRCSA-N 1 0 177.238 2.277 10 0 AEAERO CCC(CC)C[NH+]1CC2(CCCO2)C1 628427332 347318438 /nfs/dbraw/zinc/31/84/38/347318438.db2.gz VIFYHGFVCBPXIY-UHFFFAOYSA-N 1 0 197.322 2.287 10 0 AEAERO CCC[C@H](C)C[N@H+](C)CC1(C)COC1 628424057 347318474 /nfs/dbraw/zinc/31/84/74/347318474.db2.gz WFIQJADCBOMZON-NSHDSACASA-N 1 0 199.338 2.391 10 0 AEAERO C[C@@]1(C[NH2+]C2CSC2)C[C@@H]2C[C@@H]2C1 628460361 347318771 /nfs/dbraw/zinc/31/87/71/347318771.db2.gz SRCODBIONRQHKB-JZYVYDRUSA-N 1 0 197.347 2.128 10 0 AEAERO C/C=C\C[NH2+]C1CC2(CCC2)C1 628460232 347318909 /nfs/dbraw/zinc/31/89/09/347318909.db2.gz MXDDSPOMCJCJOH-IHWYPQMZSA-N 1 0 165.280 2.485 10 0 AEAERO C/C=C/C[NH2+]C1CC(OC(C)C)C1 628460259 347319034 /nfs/dbraw/zinc/31/90/34/347319034.db2.gz OFOVYROMLSPKCS-SNAWJCMRSA-N 1 0 183.295 2.108 10 0 AEAERO C/C=C\C[NH2+]C1CC(OC(C)C)C1 628460258 347319075 /nfs/dbraw/zinc/31/90/75/347319075.db2.gz OFOVYROMLSPKCS-PLNGDYQASA-N 1 0 183.295 2.108 10 0 AEAERO C/C=C/C[NH2+]C1CC2(CCC2)C1 628460233 347319077 /nfs/dbraw/zinc/31/90/77/347319077.db2.gz MXDDSPOMCJCJOH-NSCUHMNNSA-N 1 0 165.280 2.485 10 0 AEAERO CO[C@H]1C[C@@H](C[NH2+]CCC(C)(C)C)C1 628494365 347319492 /nfs/dbraw/zinc/31/94/92/347319492.db2.gz MPOODMDZAMICEH-PHIMTYICSA-N 1 0 199.338 2.437 10 0 AEAERO C1C[C@H](C[NH2+]C2CSC2)C2(C1)CC2 628493959 347319585 /nfs/dbraw/zinc/31/95/85/347319585.db2.gz AZNZFPOTIFWEMT-SECBINFHSA-N 1 0 197.347 2.272 10 0 AEAERO C1C[C@@H](C[NH2+]C2CSC2)C2(C1)CC2 628493960 347319644 /nfs/dbraw/zinc/31/96/44/347319644.db2.gz AZNZFPOTIFWEMT-VIFPVBQESA-N 1 0 197.347 2.272 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CC[C@H](C)NC1 629395343 347341887 /nfs/dbraw/zinc/34/18/87/347341887.db2.gz PILKKNRHUPNKJF-SRVKXCTJSA-N 1 0 198.354 2.153 10 0 AEAERO CCC[C@H](C)C[NH2+][C@H]1CC[C@@H](C)NC1 629395345 347341891 /nfs/dbraw/zinc/34/18/91/347341891.db2.gz PILKKNRHUPNKJF-TUAOUCFPSA-N 1 0 198.354 2.153 10 0 AEAERO CCC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)NC1 629395341 347342186 /nfs/dbraw/zinc/34/21/86/347342186.db2.gz PILKKNRHUPNKJF-SDDRHHMPSA-N 1 0 198.354 2.153 10 0 AEAERO CCC[C@@H](C)CCCN1CC[NH2+]CC1 629506128 347345036 /nfs/dbraw/zinc/34/50/36/347345036.db2.gz SUNVJLSZOPDVLM-GFCCVEGCSA-N 1 0 198.354 2.108 10 0 AEAERO CCC[C@H](C)CCCN1CC[C@@H]([NH3+])C1 629505866 347345136 /nfs/dbraw/zinc/34/51/36/347345136.db2.gz POIRRCPUPYKGAL-NWDGAFQWSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@@H](C)CCCN1CC[C@@H]([NH3+])C1 629505867 347345348 /nfs/dbraw/zinc/34/53/48/347345348.db2.gz POIRRCPUPYKGAL-VXGBXAGGSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@H](C)CCCN1CC[C@H]([NH3+])C1 629512179 347345365 /nfs/dbraw/zinc/34/53/65/347345365.db2.gz POIRRCPUPYKGAL-RYUDHWBXSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@@H](C)CCCN1CC[C@H]([NH3+])C1 629512178 347345544 /nfs/dbraw/zinc/34/55/44/347345544.db2.gz POIRRCPUPYKGAL-NEPJUHHUSA-N 1 0 198.354 2.236 10 0 AEAERO CCC[C@H](C)CCCN1CC[NH2+]CC1 629506129 347345630 /nfs/dbraw/zinc/34/56/30/347345630.db2.gz SUNVJLSZOPDVLM-LBPRGKRZSA-N 1 0 198.354 2.108 10 0 AEAERO CCC[C@H](C)CCCN(C)C1C[NH2+]C1 629531563 347346024 /nfs/dbraw/zinc/34/60/24/347346024.db2.gz OXBPZNIPMXDQOR-NSHDSACASA-N 1 0 198.354 2.106 10 0 AEAERO 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AEAERO c1ccc2c(c1)CC[C@H]1C[NH2+]CC[C@H]21 39262576 351499985 /nfs/dbraw/zinc/49/99/85/351499985.db2.gz RCWKVKJGXQUBGK-AAEUAGOBSA-N 1 0 187.286 2.326 10 0 AEAERO C[C@@H]1[NH2+]C[C@H](C)c2ccccc21 39407155 351502101 /nfs/dbraw/zinc/50/21/01/351502101.db2.gz ICXDKWHGNNFJOU-IUCAKERBSA-N 1 0 161.248 2.454 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C)c2ccccc21 39407152 351502301 /nfs/dbraw/zinc/50/23/01/351502301.db2.gz ICXDKWHGNNFJOU-RKDXNWHRSA-N 1 0 161.248 2.454 10 0 AEAERO C[C@@]([NH3+])(c1cccs1)C1CC1 40237717 351505552 /nfs/dbraw/zinc/50/55/52/351505552.db2.gz YUKCLHOIHONYEJ-VIFPVBQESA-N 1 0 167.277 2.332 10 0 AEAERO c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 40397814 351506640 /nfs/dbraw/zinc/50/66/40/351506640.db2.gz PMZKIIKJJILENE-LLVKDONJSA-N 1 0 190.290 2.098 10 0 AEAERO C[C@@]([NH3+])(CNc1ccccc1)C1CC1 40397896 351506869 /nfs/dbraw/zinc/50/68/69/351506869.db2.gz SBVDNZQOUDMZNT-GFCCVEGCSA-N 1 0 190.290 2.226 10 0 AEAERO c1cc2c(cc1[C@@H]1CCC[NH2+]1)CCO2 40442610 351506929 /nfs/dbraw/zinc/50/69/29/351506929.db2.gz BGJGENLPQGNUJX-NSHDSACASA-N 1 0 189.258 2.046 10 0 AEAERO CCSc1nc(C)cc(C)c1C[NH3+] 40509835 351507593 /nfs/dbraw/zinc/50/75/93/351507593.db2.gz VEDODWDWZVTFNK-UHFFFAOYSA-N 1 0 196.319 2.269 10 0 AEAERO C[C@@H]1CSC(NCC(C)(C)C)=[NH+]1 40494745 351508145 /nfs/dbraw/zinc/50/81/45/351508145.db2.gz QSKXMZMVCYYPQH-SSDOTTSWSA-N 1 0 186.324 2.113 10 0 AEAERO CC(C)C[C@@H]1CO[C@@H](C(C)(C)C)C[NH2+]1 40797506 351511416 /nfs/dbraw/zinc/51/14/16/351511416.db2.gz LEGVKBDLTJVSQP-GHMZBOCLSA-N 1 0 199.338 2.436 10 0 AEAERO C[C@@H]1CC[N@H+](Cc2ccccc2N)C1 40716908 351510157 /nfs/dbraw/zinc/51/01/57/351510157.db2.gz ZOSXWZNYSBXVEP-SNVBAGLBSA-N 1 0 190.290 2.111 10 0 AEAERO CC(C)CS[C@@H](C)CC[NH3+] 41042895 351514281 /nfs/dbraw/zinc/51/42/81/351514281.db2.gz BEFUEEAVBUSREL-QMMMGPOBSA-N 1 0 161.314 2.113 10 0 AEAERO CC(C)C[C@H]1CO[C@@H](C(C)(C)C)C[NH2+]1 40797509 351511581 /nfs/dbraw/zinc/51/15/81/351511581.db2.gz LEGVKBDLTJVSQP-WDEREUQCSA-N 1 0 199.338 2.436 10 0 AEAERO CC(C)C[C@H]1CO[C@H](C(C)(C)C)C[NH2+]1 40797503 351512038 /nfs/dbraw/zinc/51/20/38/351512038.db2.gz LEGVKBDLTJVSQP-QWRGUYRKSA-N 1 0 199.338 2.436 10 0 AEAERO CC(C)C[C@@H]1CO[C@H](C(C)(C)C)C[NH2+]1 40797500 351512013 /nfs/dbraw/zinc/51/20/13/351512013.db2.gz LEGVKBDLTJVSQP-MNOVXSKESA-N 1 0 199.338 2.436 10 0 AEAERO c1csc(CNc2cc[nH+]cc2)n1 41013274 351512713 /nfs/dbraw/zinc/51/27/13/351512713.db2.gz IYHMMBCZAZGOES-UHFFFAOYSA-N 1 0 191.259 2.150 10 0 AEAERO CC(C)([NH3+])c1nc2c(s1)CCCC2 41059463 351515361 /nfs/dbraw/zinc/51/53/61/351515361.db2.gz GMKKPTIIBFHVEJ-UHFFFAOYSA-N 1 0 196.319 2.216 10 0 AEAERO CC(C)C[C@@](C)([NH3+])c1nccs1 41059883 351515487 /nfs/dbraw/zinc/51/54/87/351515487.db2.gz PCIPMQYMWATJFT-SECBINFHSA-N 1 0 184.308 2.363 10 0 AEAERO CC[C@@H](C)[C@H]([NH3+])c1nccs1 41059958 351515622 /nfs/dbraw/zinc/51/56/22/351515622.db2.gz CLKJGBYMOJHCBZ-RQJHMYQMSA-N 1 0 170.281 2.189 10 0 AEAERO C[C@@H]([C@@H](C)N)[N@H+](C)C1CCCCCC1 41053871 351515918 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197.303 2.186 10 0 AEAERO C[C@@H]1C[C@H](C[NH3+])c2ccccc21 41167722 351517130 /nfs/dbraw/zinc/51/71/30/351517130.db2.gz QOSMGAXJMMHOLQ-RKDXNWHRSA-N 1 0 161.248 2.236 10 0 AEAERO C[C@@H]1C[C@@H](C[NH3+])c2ccccc21 41167725 351517563 /nfs/dbraw/zinc/51/75/63/351517563.db2.gz QOSMGAXJMMHOLQ-BDAKNGLRSA-N 1 0 161.248 2.236 10 0 AEAERO C[C@@H]1Cc2c(F)cccc2[C@@H]1[NH3+] 41167931 351517667 /nfs/dbraw/zinc/51/76/67/351517667.db2.gz ZIUJAZJRGOVIND-LHLIQPBNSA-N 1 0 165.211 2.018 10 0 AEAERO C[C@@H]1CNC(C)(C)C[N@@H+]1C1CCCC1 41207427 351518190 /nfs/dbraw/zinc/51/81/90/351518190.db2.gz QFLOSHFDJTXVQO-SNVBAGLBSA-N 1 0 196.338 2.001 10 0 AEAERO c1ccc(NCC[C@@H]2CCC[NH2+]2)cc1 42172240 351519418 /nfs/dbraw/zinc/51/94/18/351519418.db2.gz ACIBWXSJUMEKMX-LBPRGKRZSA-N 1 0 190.290 2.241 10 0 AEAERO c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 42172243 351520063 /nfs/dbraw/zinc/52/00/63/351520063.db2.gz ACIBWXSJUMEKMX-GFCCVEGCSA-N 1 0 190.290 2.241 10 0 AEAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O 42555526 351524539 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1 0 198.354 2.234 10 0 AEAERO CC(C)C[C@H](C)[N@H+](C)CCCCO 42589384 351524443 /nfs/dbraw/zinc/52/44/43/351524443.db2.gz ZZWXMOYDYSKLAL-NSHDSACASA-N 1 0 187.327 2.125 10 0 AEAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O 42555532 351524506 /nfs/dbraw/zinc/52/45/06/351524506.db2.gz JCLVWJRVXOQGIT-KXNHARMFSA-N 1 0 199.338 2.314 10 0 AEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(C)(C)O 42609655 351524535 /nfs/dbraw/zinc/52/45/35/351524535.db2.gz MYFYSUPDAYFANX-MNOVXSKESA-N 1 0 199.338 2.268 10 0 AEAERO CCS[C@@H](C[NH3+])C(C)(C)C 43297658 351526677 /nfs/dbraw/zinc/52/66/77/351526677.db2.gz CXDMPUKFQIIAPR-ZETCQYMHSA-N 1 0 161.314 2.113 10 0 AEAERO C[C@@H]1CC[N@@H+]([C@@H]([C@@H](C)N)C(C)(C)C)C1 43293237 351526705 /nfs/dbraw/zinc/52/67/05/351526705.db2.gz FXURRWMMOJXTKX-MXWKQRLJSA-N 1 0 198.354 2.090 10 0 AEAERO c1cc(NC[C@@H]2CCCCO2)cc[nH+]1 42822894 351526866 /nfs/dbraw/zinc/52/68/66/351526866.db2.gz VQFPSFHRDOGFOF-NSHDSACASA-N 1 0 192.262 2.063 10 0 AEAERO C[C@@H]1CCCC[C@H]1OC[C@@H]1CCC[NH2+]1 43496335 351528433 /nfs/dbraw/zinc/52/84/33/351528433.db2.gz MTLFSENCTVJLAF-GRYCIOLGSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@H]1CCCC[C@@H]1OC[C@@H]1CCC[NH2+]1 43496330 351528477 /nfs/dbraw/zinc/52/84/77/351528477.db2.gz MTLFSENCTVJLAF-WOPDTQHZSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1CCCC[C@H]1OC[C@@H]1CCC[NH2+]1 43496338 351528545 /nfs/dbraw/zinc/52/85/45/351528545.db2.gz MTLFSENCTVJLAF-SDDRHHMPSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@H]1CCCC[C@@H]1OC[C@@H]1CCC[NH2+]1 43496332 351528732 /nfs/dbraw/zinc/52/87/32/351528732.db2.gz MTLFSENCTVJLAF-SRVKXCTJSA-N 1 0 197.322 2.334 10 0 AEAERO Cc1cccc(OC[C@H]2CCC[NH2+]2)c1 43496497 351528802 /nfs/dbraw/zinc/52/88/02/351528802.db2.gz HJDWGZQBPWPKPV-LLVKDONJSA-N 1 0 191.274 2.126 10 0 AEAERO CC1CCC(OC[C@H]2CCC[NH2+]2)CC1 43496327 351528822 /nfs/dbraw/zinc/52/88/22/351528822.db2.gz DOUHXRPTFOQOMY-MOENNCHZSA-N 1 0 197.322 2.334 10 0 AEAERO CCn1cc([C@@H]([NH3+])C2CCCC2)cn1 43470132 351528949 /nfs/dbraw/zinc/52/89/49/351528949.db2.gz CWFYIOPBXHLPQE-NSHDSACASA-N 1 0 193.294 2.093 10 0 AEAERO CCCSCC1CC[NH2+]CC1 43498160 351528964 /nfs/dbraw/zinc/52/89/64/351528964.db2.gz GQOXDGNCMDSBAO-UHFFFAOYSA-N 1 0 173.325 2.129 10 0 AEAERO CC1CCC(OC[C@@H]2CCC[NH2+]2)CC1 43496324 351528970 /nfs/dbraw/zinc/52/89/70/351528970.db2.gz DOUHXRPTFOQOMY-CXQJBGSLSA-N 1 0 197.322 2.334 10 0 AEAERO CC[C@H](C)S[C@@H]1CCC[NH2+]C1 43501654 351529483 /nfs/dbraw/zinc/52/94/83/351529483.db2.gz ADRWAVJURCAPQU-DTWKUNHWSA-N 1 0 173.325 2.270 10 0 AEAERO CC[C@@H](C)S[C@@H]1CCC[NH2+]C1 43501653 351529542 /nfs/dbraw/zinc/52/95/42/351529542.db2.gz ADRWAVJURCAPQU-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO CC(C)CS[C@@H]1CCC[NH2+]C1 43501661 351529636 /nfs/dbraw/zinc/52/96/36/351529636.db2.gz VEXPHBTYLIPQSV-SECBINFHSA-N 1 0 173.325 2.128 10 0 AEAERO CC[C@H](C)SC1CC[NH2+]CC1 43501267 351529746 /nfs/dbraw/zinc/52/97/46/351529746.db2.gz QFSRUSIZKPRGKJ-QMMMGPOBSA-N 1 0 173.325 2.270 10 0 AEAERO C[C@@H](SC1CCCCC1)C(N)=[NH2+] 43516600 351529813 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/nfs/dbraw/zinc/39/99/37/352399937.db2.gz IDFBPLNISPTVOB-CNUIFLNQSA-N 1 0 196.681 2.186 10 0 AEAERO C[C@@H]1[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cn1 575499260 352399968 /nfs/dbraw/zinc/39/99/68/352399968.db2.gz IDFBPLNISPTVOB-ZQARSLAVSA-N 1 0 196.681 2.186 10 0 AEAERO CC[NH2+]C1CC(C2(Cl)CC2)C1 575499650 352402275 /nfs/dbraw/zinc/40/22/75/352402275.db2.gz CLJPIXLLLZSOIV-UHFFFAOYSA-N 1 0 173.687 2.146 10 0 AEAERO C1=C[C@H]([NH2+][C@H]2C=CCC2)CCC1 575499738 352402922 /nfs/dbraw/zinc/40/29/22/352402922.db2.gz MFINPRXSUYLEDF-QWRGUYRKSA-N 1 0 163.264 2.403 10 0 AEAERO C1=C[C@@H]([NH2+][C@@H]2C=CCC2)CCC1 575499721 352402942 /nfs/dbraw/zinc/40/29/42/352402942.db2.gz MFINPRXSUYLEDF-GHMZBOCLSA-N 1 0 163.264 2.403 10 0 AEAERO C1=C[C@@H]([NH2+][C@H]2C=CCC2)CCC1 575499735 352403050 /nfs/dbraw/zinc/40/30/50/352403050.db2.gz MFINPRXSUYLEDF-MNOVXSKESA-N 1 0 163.264 2.403 10 0 AEAERO C1=C[C@H]([NH2+][C@@H]2C=CCC2)CCC1 575499740 352403260 /nfs/dbraw/zinc/40/32/60/352403260.db2.gz MFINPRXSUYLEDF-WDEREUQCSA-N 1 0 163.264 2.403 10 0 AEAERO C1=C[C@H](NC2=[NH+]CCCCC2)CC1 575499874 352403501 /nfs/dbraw/zinc/40/35/01/352403501.db2.gz OCERXXJPHADLHX-JTQLQIEISA-N 1 0 178.279 2.267 10 0 AEAERO CC(C)(C)[C@@H]([NH3+])[C@@H]1C[C@@H]2C[C@@H]2C1 575499919 352403550 /nfs/dbraw/zinc/40/35/50/352403550.db2.gz AYZQABUPMHZMOB-JLIMGVALSA-N 1 0 167.296 2.406 10 0 AEAERO C1=C[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2C3)CC1 575499902 352403583 /nfs/dbraw/zinc/40/35/83/352403583.db2.gz OFTYTZOAUXDXIQ-USZNOCQGSA-N 1 0 175.275 2.259 10 0 AEAERO C1=C[C@@H](NC2=[NH+]CCCCC2)CC1 575499875 352403738 /nfs/dbraw/zinc/40/37/38/352403738.db2.gz OCERXXJPHADLHX-SNVBAGLBSA-N 1 0 178.279 2.267 10 0 AEAERO C1=C[C@@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 575499890 352403839 /nfs/dbraw/zinc/40/38/39/352403839.db2.gz OFTYTZOAUXDXIQ-IRCOFANPSA-N 1 0 175.275 2.259 10 0 AEAERO [NH3+][C@@H](c1ccsn1)[C@@H]1C[C@@H]2C[C@@H]2C1 575499897 352403880 /nfs/dbraw/zinc/40/38/80/352403880.db2.gz AXRQVHZOGPNJDC-CHIQAWFVSA-N 1 0 194.303 2.189 10 0 AEAERO C1=C[C@@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2C3)CC1 575499900 352403941 /nfs/dbraw/zinc/40/39/41/352403941.db2.gz OFTYTZOAUXDXIQ-QCNOEVLYSA-N 1 0 175.275 2.259 10 0 AEAERO C1=C[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 575499910 352403949 /nfs/dbraw/zinc/40/39/49/352403949.db2.gz OFTYTZOAUXDXIQ-WHOHXGKFSA-N 1 0 175.275 2.259 10 0 AEAERO [NH3+][C@H](c1ccsn1)[C@@H]1C[C@@H]2C[C@@H]2C1 575499901 352403977 /nfs/dbraw/zinc/40/39/77/352403977.db2.gz AXRQVHZOGPNJDC-WHQQTDPMSA-N 1 0 194.303 2.189 10 0 AEAERO CC(C)(C)[C@H]([NH3+])[C@@H]1C[C@@H]2C[C@@H]2C1 575499924 352404853 /nfs/dbraw/zinc/40/48/53/352404853.db2.gz AYZQABUPMHZMOB-XFWSIPNHSA-N 1 0 167.296 2.406 10 0 AEAERO C[NH2+][C@H]1C[C@@H](C2(Cl)CC2)C1(C)C 575500155 352405153 /nfs/dbraw/zinc/40/51/53/352405153.db2.gz JDUQGYRQUSPUEI-SFYZADRCSA-N 1 0 187.714 2.392 10 0 AEAERO C[C@H]1C[C@H]1c1ccsc1C[NH3+] 575500079 352405282 /nfs/dbraw/zinc/40/52/82/352405282.db2.gz CMVHFLUVDAHCTC-POYBYMJQSA-N 1 0 167.277 2.330 10 0 AEAERO [NH3+][C@H]1CO[C@H](c2ccc(Cl)cc2)C1 575500189 352405330 /nfs/dbraw/zinc/40/53/30/352405330.db2.gz PQJIEPIAOSSKKT-ZJUUUORDSA-N 1 0 197.665 2.129 10 0 AEAERO C[C@@H]1C[C@@H]1c1ccsc1C[NH3+] 575500080 352405351 /nfs/dbraw/zinc/40/53/51/352405351.db2.gz CMVHFLUVDAHCTC-SVRRBLITSA-N 1 0 167.277 2.330 10 0 AEAERO C[NH2+][C@@H]1C[C@@H](C2(Cl)CC2)C1(C)C 575500142 352405363 /nfs/dbraw/zinc/40/53/63/352405363.db2.gz JDUQGYRQUSPUEI-HTQZYQBOSA-N 1 0 187.714 2.392 10 0 AEAERO C[NH2+][C@H]1C[C@H](C2(Cl)CC2)C1(C)C 575500156 352405368 /nfs/dbraw/zinc/40/53/68/352405368.db2.gz JDUQGYRQUSPUEI-YUMQZZPRSA-N 1 0 187.714 2.392 10 0 AEAERO C[C@H]1C[C@@H]1c1ccsc1C[NH3+] 575500081 352405374 /nfs/dbraw/zinc/40/53/74/352405374.db2.gz CMVHFLUVDAHCTC-XPUUQOCRSA-N 1 0 167.277 2.330 10 0 AEAERO C[NH2+][C@@H]1C[C@H](C2(Cl)CC2)C1(C)C 575500153 352405399 /nfs/dbraw/zinc/40/53/99/352405399.db2.gz JDUQGYRQUSPUEI-JGVFFNPUSA-N 1 0 187.714 2.392 10 0 AEAERO [NH3+][C@@H]1CO[C@H](c2ccc(Cl)cc2)C1 575500186 352405550 /nfs/dbraw/zinc/40/55/50/352405550.db2.gz PQJIEPIAOSSKKT-UWVGGRQHSA-N 1 0 197.665 2.129 10 0 AEAERO [NH3+][C@H]1CO[C@@H](c2ccc(Cl)cc2)C1 575500181 352405554 /nfs/dbraw/zinc/40/55/54/352405554.db2.gz PQJIEPIAOSSKKT-NXEZZACHSA-N 1 0 197.665 2.129 10 0 AEAERO C[C@@H]1C[C@H]1c1ccsc1C[NH3+] 575500077 352405646 /nfs/dbraw/zinc/40/56/46/352405646.db2.gz CMVHFLUVDAHCTC-HTRCEHHLSA-N 1 0 167.277 2.330 10 0 AEAERO [NH3+][C@@H]1CO[C@@H](c2ccc(Cl)cc2)C1 575500187 352405693 /nfs/dbraw/zinc/40/56/93/352405693.db2.gz PQJIEPIAOSSKKT-VHSXEESVSA-N 1 0 197.665 2.129 10 0 AEAERO C1=C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 575500216 352405859 /nfs/dbraw/zinc/40/58/59/352405859.db2.gz PUCWSJMVLOEFRO-NOOOWODRSA-N 1 0 177.291 2.483 10 0 AEAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1C=CCC1 575500304 352405956 /nfs/dbraw/zinc/40/59/56/352405956.db2.gz FTJNCEVLSFBWPX-IVZWLZJFSA-N 1 0 183.320 2.189 10 0 AEAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1C=CCC1 575500307 352406010 /nfs/dbraw/zinc/40/60/10/352406010.db2.gz FTJNCEVLSFBWPX-LPEHRKFASA-N 1 0 183.320 2.189 10 0 AEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C=CCC1 575500299 352406176 /nfs/dbraw/zinc/40/61/76/352406176.db2.gz FTJNCEVLSFBWPX-AEJSXWLSSA-N 1 0 183.320 2.189 10 0 AEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C=CCC1 575500301 352406251 /nfs/dbraw/zinc/40/62/51/352406251.db2.gz FTJNCEVLSFBWPX-GUBZILKMSA-N 1 0 183.320 2.189 10 0 AEAERO CC(C)[C@@H]([NH3+])[C@@H](C)C1(Cl)CC1 575500425 352406583 /nfs/dbraw/zinc/40/65/83/352406583.db2.gz DVGXPPGZQFJYFC-HTQZYQBOSA-N 1 0 175.703 2.377 10 0 AEAERO CC(C)[C@@H]([NH3+])[C@H](C)C1(Cl)CC1 575500439 352406594 /nfs/dbraw/zinc/40/65/94/352406594.db2.gz DVGXPPGZQFJYFC-JGVFFNPUSA-N 1 0 175.703 2.377 10 0 AEAERO CC(C)[C@H]([NH3+])[C@@H](C)C1(Cl)CC1 575500440 352406674 /nfs/dbraw/zinc/40/66/74/352406674.db2.gz DVGXPPGZQFJYFC-SFYZADRCSA-N 1 0 175.703 2.377 10 0 AEAERO CC(C)[C@H]([NH3+])[C@H](C)C1(Cl)CC1 575500441 352406777 /nfs/dbraw/zinc/40/67/77/352406777.db2.gz DVGXPPGZQFJYFC-YUMQZZPRSA-N 1 0 175.703 2.377 10 0 AEAERO CC1(C)[C@H]([NH3+])C[C@H]1C1(Cl)CC1 575500739 352407937 /nfs/dbraw/zinc/40/79/37/352407937.db2.gz NULYWGBOGGYBQH-RNFRBKRXSA-N 1 0 173.687 2.131 10 0 AEAERO CC1(C)[C@@H]([NH3+])C[C@@H]1C1(Cl)CC1 575500733 352407997 /nfs/dbraw/zinc/40/79/97/352407997.db2.gz NULYWGBOGGYBQH-BQBZGAKWSA-N 1 0 173.687 2.131 10 0 AEAERO C[NH2+][C@@H]1C[C@@H](C2(Cl)CC2)[C@@H]1C 575500756 352408043 /nfs/dbraw/zinc/40/80/43/352408043.db2.gz OFQKAAUNUOYHIT-XLPZGREQSA-N 1 0 173.687 2.002 10 0 AEAERO C[NH2+][C@@H]1C[C@H](C2(Cl)CC2)[C@H]1C 575500754 352408142 /nfs/dbraw/zinc/40/81/42/352408142.db2.gz OFQKAAUNUOYHIT-GJMOJQLCSA-N 1 0 173.687 2.002 10 0 AEAERO CC1(C)[C@@H](C2(Cl)CC2)C[C@H]1[NH3+] 575500734 352408246 /nfs/dbraw/zinc/40/82/46/352408246.db2.gz NULYWGBOGGYBQH-NKWVEPMBSA-N 1 0 173.687 2.131 10 0 AEAERO C[NH2+][C@@H]1C[C@H](C2(Cl)CC2)[C@@H]1C 575500747 352408309 /nfs/dbraw/zinc/40/83/09/352408309.db2.gz OFQKAAUNUOYHIT-BIIVOSGPSA-N 1 0 173.687 2.002 10 0 AEAERO CC1(C)[C@@H]([NH3+])C[C@H]1C1(Cl)CC1 575500740 352408319 /nfs/dbraw/zinc/40/83/19/352408319.db2.gz NULYWGBOGGYBQH-RQJHMYQMSA-N 1 0 173.687 2.131 10 0 AEAERO C[NH2+][C@@H]1C[C@@H](C2(Cl)CC2)[C@H]1C 575500753 352408339 /nfs/dbraw/zinc/40/83/39/352408339.db2.gz OFQKAAUNUOYHIT-BWZBUEFSSA-N 1 0 173.687 2.002 10 0 AEAERO CC[C@@H]([NH3+])[C@@H](C)C1(Cl)CC1 575500879 352408727 /nfs/dbraw/zinc/40/87/27/352408727.db2.gz HXAGFKBCIQXGHU-RNFRBKRXSA-N 1 0 161.676 2.131 10 0 AEAERO CC[C@H]([NH3+])[C@@H](C)C1(Cl)CC1 575500882 352408771 /nfs/dbraw/zinc/40/87/71/352408771.db2.gz HXAGFKBCIQXGHU-RQJHMYQMSA-N 1 0 161.676 2.131 10 0 AEAERO CC[C@H]([NH3+])[C@H](C)C1(Cl)CC1 575500874 352408809 /nfs/dbraw/zinc/40/88/09/352408809.db2.gz HXAGFKBCIQXGHU-BQBZGAKWSA-N 1 0 161.676 2.131 10 0 AEAERO CC[C@@H]([NH3+])[C@H](C)C1(Cl)CC1 575500876 352408945 /nfs/dbraw/zinc/40/89/45/352408945.db2.gz HXAGFKBCIQXGHU-NKWVEPMBSA-N 1 0 161.676 2.131 10 0 AEAERO [NH3+]Cc1sccc1C1CCC1 575500905 352409460 /nfs/dbraw/zinc/40/94/60/352409460.db2.gz HXNHXUVFGAHFJB-UHFFFAOYSA-N 1 0 167.277 2.474 10 0 AEAERO CC[C@@H]1[C@H]([NH3+])C[C@H]1C1(Cl)CC1 575501283 352410956 /nfs/dbraw/zinc/41/09/56/352410956.db2.gz WEMHZRZPOMLHRW-XLPZGREQSA-N 1 0 173.687 2.131 10 0 AEAERO CC[C@H]1[C@@H](C2(Cl)CC2)C[C@H]1[NH3+] 575501280 352410973 /nfs/dbraw/zinc/41/09/73/352410973.db2.gz WEMHZRZPOMLHRW-BIIVOSGPSA-N 1 0 173.687 2.131 10 0 AEAERO CC[C@@H]1[C@@H]([NH3+])C[C@H]1C1(Cl)CC1 575501282 352410987 /nfs/dbraw/zinc/41/09/87/352410987.db2.gz WEMHZRZPOMLHRW-RNJXMRFFSA-N 1 0 173.687 2.131 10 0 AEAERO CC[C@@H]1[C@@H]([NH3+])C[C@@H]1C1(Cl)CC1 575501281 352411134 /nfs/dbraw/zinc/41/11/34/352411134.db2.gz WEMHZRZPOMLHRW-FXQIFTODSA-N 1 0 173.687 2.131 10 0 AEAERO C1=C[C@H]([NH2+][C@H]2CC[C@H]3C[C@H]32)CC1 575501384 352411637 /nfs/dbraw/zinc/41/16/37/352411637.db2.gz LCEOAVWHEYWPDL-MMWGEVLESA-N 1 0 163.264 2.093 10 0 AEAERO C1=C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]32)CC1 575501387 352411642 /nfs/dbraw/zinc/41/16/42/352411642.db2.gz LCEOAVWHEYWPDL-VPOLOUISSA-N 1 0 163.264 2.093 10 0 AEAERO 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C/C=C/C[C@]1([NH3+])CC[C@H](C)C1 575529230 352551274 /nfs/dbraw/zinc/55/12/74/352551274.db2.gz UNKIEUGPJVQFHI-OHINUGQQSA-N 1 0 153.269 2.470 10 0 AEAERO C/C=C/C[C@@]1([NH3+])CC[C@H](C)C1 575529226 352551286 /nfs/dbraw/zinc/55/12/86/352551286.db2.gz UNKIEUGPJVQFHI-FCVPOFOPSA-N 1 0 153.269 2.470 10 0 AEAERO CC[C@](C)([NH3+])CC=C(C)C 575529523 352551608 /nfs/dbraw/zinc/55/16/08/352551608.db2.gz XVGOIQCFXBMKML-VIFPVBQESA-N 1 0 141.258 2.470 10 0 AEAERO [NH3+]CC=C1C[C@H]2CC[C@@H](C1)C2 575529461 352551703 /nfs/dbraw/zinc/55/17/03/352551703.db2.gz YQSHGFXICBJUNS-DTORHVGOSA-N 1 0 151.253 2.082 10 0 AEAERO CC[C@@](C)([NH3+])CC=C(C)C 575529522 352551808 /nfs/dbraw/zinc/55/18/08/352551808.db2.gz XVGOIQCFXBMKML-SECBINFHSA-N 1 0 141.258 2.470 10 0 AEAERO C[C@@H]1CCCC[C@@]1([NH3+])CC(C)(C)O 575529557 352552273 /nfs/dbraw/zinc/55/22/73/352552273.db2.gz YMBPEJIHRAPALJ-MWLCHTKSSA-N 1 0 185.311 2.055 10 0 AEAERO C[C@@H]1CCCC[C@]1([NH3+])CC(C)(C)O 575529556 352552420 /nfs/dbraw/zinc/55/24/20/352552420.db2.gz YMBPEJIHRAPALJ-KOLCDFICSA-N 1 0 185.311 2.055 10 0 AEAERO C[C@H]1CCCC[C@@]1([NH3+])CC(C)(C)O 575529555 352552438 /nfs/dbraw/zinc/55/24/38/352552438.db2.gz YMBPEJIHRAPALJ-GXSJLCMTSA-N 1 0 185.311 2.055 10 0 AEAERO C[C@H]1CCCC[C@]1([NH3+])CC(C)(C)O 575529558 352552446 /nfs/dbraw/zinc/55/24/46/352552446.db2.gz YMBPEJIHRAPALJ-ONGXEEELSA-N 1 0 185.311 2.055 10 0 AEAERO C/C=C/C[C@H]([NH3+])C1CCCC1 575529866 352553292 /nfs/dbraw/zinc/55/32/92/352553292.db2.gz CLUKOXKWCLZMFH-PBKGFPTLSA-N 1 0 153.269 2.470 10 0 AEAERO C/C=C/C[C@@H]([NH3+])C1CCCC1 575529867 352553302 /nfs/dbraw/zinc/55/33/02/352553302.db2.gz CLUKOXKWCLZMFH-VMZHVLLKSA-N 1 0 153.269 2.470 10 0 AEAERO C/C=C/CC1([NH3+])CC=CC1 575529851 352553492 /nfs/dbraw/zinc/55/34/92/352553492.db2.gz CIOCBCRSKYINFX-NSCUHMNNSA-N 1 0 137.226 2.000 10 0 AEAERO CC(C)=CC[C@@H]([NH3+])C(C)C 575530021 352553784 /nfs/dbraw/zinc/55/37/84/352553784.db2.gz DWLLRCWZYLXKPP-SECBINFHSA-N 1 0 141.258 2.326 10 0 AEAERO CC(C)=CC[C@H]([NH3+])C(C)C 575530022 352553847 /nfs/dbraw/zinc/55/38/47/352553847.db2.gz DWLLRCWZYLXKPP-VIFPVBQESA-N 1 0 141.258 2.326 10 0 AEAERO CC[C@](C)([NH3+])[C@@]1(C)CCC[C@]1(C)O 575530007 352554026 /nfs/dbraw/zinc/55/40/26/352554026.db2.gz DRVRSSXHKSELOV-VWYCJHECSA-N 1 0 185.311 2.055 10 0 AEAERO CC[C@](C)([NH3+])[C@]1(C)CCC[C@@]1(C)O 575530002 352554090 /nfs/dbraw/zinc/55/40/90/352554090.db2.gz DRVRSSXHKSELOV-GARJFASQSA-N 1 0 185.311 2.055 10 0 AEAERO CC[C@](C)([NH3+])[C@]1(C)CCC[C@]1(C)O 575530000 352554233 /nfs/dbraw/zinc/55/42/33/352554233.db2.gz DRVRSSXHKSELOV-DCAQKATOSA-N 1 0 185.311 2.055 10 0 AEAERO CC(C)[C@H]([NH3+])C1(C(F)F)CC1 575530112 352554452 /nfs/dbraw/zinc/55/44/52/352554452.db2.gz HOKSKBBFMQFJGH-LURJTMIESA-N 1 0 163.211 2.015 10 0 AEAERO [NH3+][C@@H](CCF)C1CCCCC1 575530121 352554608 /nfs/dbraw/zinc/55/46/08/352554608.db2.gz GJANDPKLPRPAAO-VIFPVBQESA-N 1 0 159.248 2.254 10 0 AEAERO CC(C)[C@@H]([NH3+])C1(C(F)F)CC1 575530116 352554726 /nfs/dbraw/zinc/55/47/26/352554726.db2.gz HOKSKBBFMQFJGH-ZCFIWIBFSA-N 1 0 163.211 2.015 10 0 AEAERO [NH3+][C@H](CCF)C1CCCCC1 575530120 352554803 /nfs/dbraw/zinc/55/48/03/352554803.db2.gz GJANDPKLPRPAAO-SECBINFHSA-N 1 0 159.248 2.254 10 0 AEAERO [NH3+][C@H](c1ccc[nH]1)[C@@]12CCC[C@@H]1C2 575530264 352555331 /nfs/dbraw/zinc/55/53/31/352555331.db2.gz CNGSTLLSEYKVBE-FBIMIBRVSA-N 1 0 176.263 2.205 10 0 AEAERO Clc1ccc(CNC2=[NH+]CCC2)o1 575530274 352555819 /nfs/dbraw/zinc/55/58/19/352555819.db2.gz JCFHOUSUBKJARV-UHFFFAOYSA-N 1 0 198.653 2.215 10 0 AEAERO C/C=C/C[C@@]1([NH3+])CC=CCC1 575530324 352555866 /nfs/dbraw/zinc/55/58/66/352555866.db2.gz HYUZMAKBVRWNKM-VMZHVLLKSA-N 1 0 151.253 2.390 10 0 AEAERO C/C=C/C[C@]1([NH3+])CC=CCC1 575530323 352555986 /nfs/dbraw/zinc/55/59/86/352555986.db2.gz HYUZMAKBVRWNKM-PBKGFPTLSA-N 1 0 151.253 2.390 10 0 AEAERO CC(C)=CCC1([NH3+])CC=CC1 575530490 352556477 /nfs/dbraw/zinc/55/64/77/352556477.db2.gz JHFVIHJSVCUAEE-UHFFFAOYSA-N 1 0 151.253 2.390 10 0 AEAERO [NH3+][C@H](C1CCC1)[C@]12CCC[C@H]1C2 575530495 352556509 /nfs/dbraw/zinc/55/65/09/352556509.db2.gz CXWJHEABYTYTTP-AXFHLTTASA-N 1 0 165.280 2.304 10 0 AEAERO [NH3+][C@H](c1ccc[nH]1)[C@]12CCC[C@H]1C2 575530468 352556560 /nfs/dbraw/zinc/55/65/60/352556560.db2.gz CNGSTLLSEYKVBE-GDPRMGEGSA-N 1 0 176.263 2.205 10 0 AEAERO [NH3+][C@H](C1CCC1)[C@@]12CCC[C@@H]1C2 575530498 352556810 /nfs/dbraw/zinc/55/68/10/352556810.db2.gz CXWJHEABYTYTTP-GMTAPVOTSA-N 1 0 165.280 2.304 10 0 AEAERO C[NH2+][C@H](C)[C@]12CCCC[C@H]1C2 575530672 352557408 /nfs/dbraw/zinc/55/74/08/352557408.db2.gz FGPDZYSBNISFTC-KXUCPTDWSA-N 1 0 153.269 2.175 10 0 AEAERO C[NH2+][C@H](C)[C@@]12CCCC[C@@H]1C2 575530671 352557442 /nfs/dbraw/zinc/55/74/42/352557442.db2.gz FGPDZYSBNISFTC-BBBLOLIVSA-N 1 0 153.269 2.175 10 0 AEAERO [NH3+]C1(CC2CCC2)CC=CC1 575530655 352557669 /nfs/dbraw/zinc/55/76/69/352557669.db2.gz HWONRGATNKBOFT-UHFFFAOYSA-N 1 0 151.253 2.224 10 0 AEAERO [NH3+]Cc1cc2cscc2s1 575530826 352557823 /nfs/dbraw/zinc/55/78/23/352557823.db2.gz IAUFQTHXHLNHMH-UHFFFAOYSA-N 1 0 169.274 2.422 10 0 AEAERO C1CC[C@]2([C@@H]3CCC[NH2+]3)C[C@@H]2C1 575530864 352558443 /nfs/dbraw/zinc/55/84/43/352558443.db2.gz FOTOOQBQXOAAOU-DCAQKATOSA-N 1 0 165.280 2.319 10 0 AEAERO [NH3+][C@H](c1cnsc1)[C@]12CCC[C@H]1C2 575530870 352558514 /nfs/dbraw/zinc/55/85/14/352558514.db2.gz FQHBMYVYNAMCQZ-AEJSXWLSSA-N 1 0 194.303 2.333 10 0 AEAERO CC[C@@H]([NH3+])C[Si](C)(C)C 575530942 352558535 /nfs/dbraw/zinc/55/85/35/352558535.db2.gz LWVGUQSGGTUOHS-SSDOTTSWSA-N 1 0 145.322 2.062 10 0 AEAERO C1CC[C@]2([NH2+][C@H]3CCSC3)C[C@@H]2C1 575530841 352558551 /nfs/dbraw/zinc/55/85/51/352558551.db2.gz MYZTWNNVAOMZEA-DCAQKATOSA-N 1 0 197.347 2.414 10 0 AEAERO CC(C)C1([C@H]([NH3+])C2CC2)CC1 575530844 352558581 /nfs/dbraw/zinc/55/85/81/352558581.db2.gz NBBABZLGBAXKGB-SECBINFHSA-N 1 0 153.269 2.160 10 0 AEAERO C1CC[C@]2([C@H]3CCC[NH2+]3)C[C@@H]2C1 575530863 352558586 /nfs/dbraw/zinc/55/85/86/352558586.db2.gz FOTOOQBQXOAAOU-AXFHLTTASA-N 1 0 165.280 2.319 10 0 AEAERO [NH3+][C@H](c1cnsc1)[C@@]12CCC[C@@H]1C2 575530883 352558648 /nfs/dbraw/zinc/55/86/48/352558648.db2.gz FQHBMYVYNAMCQZ-OPRDCNLKSA-N 1 0 194.303 2.333 10 0 AEAERO [NH3+]C1(CCC2CC2)CC=CC1 575530897 352558680 /nfs/dbraw/zinc/55/86/80/352558680.db2.gz IMSXKFZSRVZHLG-UHFFFAOYSA-N 1 0 151.253 2.224 10 0 AEAERO C[C@H]1OCC[C@]1([NH3+])CC1(C)CCC1 575530951 352559093 /nfs/dbraw/zinc/55/90/93/352559093.db2.gz JDKSZNHMDJXVRH-KOLCDFICSA-N 1 0 183.295 2.073 10 0 AEAERO C[C@H]1OCC[C@@]1([NH3+])CC1(C)CCC1 575530954 352559137 /nfs/dbraw/zinc/55/91/37/352559137.db2.gz JDKSZNHMDJXVRH-MWLCHTKSSA-N 1 0 183.295 2.073 10 0 AEAERO [NH3+][C@@]1(CC2CC2)CC=CCC1 575530974 352559161 /nfs/dbraw/zinc/55/91/61/352559161.db2.gz MCCYRCZUQCBFLS-JTQLQIEISA-N 1 0 151.253 2.224 10 0 AEAERO C[C@@H]1OCC[C@@]1([NH3+])CC1(C)CCC1 575530949 352559187 /nfs/dbraw/zinc/55/91/87/352559187.db2.gz JDKSZNHMDJXVRH-GXSJLCMTSA-N 1 0 183.295 2.073 10 0 AEAERO C[C@@H]1OCC[C@]1([NH3+])CC1(C)CCC1 575530958 352559217 /nfs/dbraw/zinc/55/92/17/352559217.db2.gz JDKSZNHMDJXVRH-ONGXEEELSA-N 1 0 183.295 2.073 10 0 AEAERO C1CCC([NH2+][C@]23CCC[C@H]2C3)C1 575530957 352559242 /nfs/dbraw/zinc/55/92/42/352559242.db2.gz FUUFPYYDFMQKRN-ONGXEEELSA-N 1 0 165.280 2.461 10 0 AEAERO C1CCC([NH2+][C@@]23CCC[C@@H]2C3)C1 575530955 352559249 /nfs/dbraw/zinc/55/92/49/352559249.db2.gz FUUFPYYDFMQKRN-MWLCHTKSSA-N 1 0 165.280 2.461 10 0 AEAERO [NH3+][C@]1(CC2CC2)CC=CCC1 575530975 352559275 /nfs/dbraw/zinc/55/92/75/352559275.db2.gz MCCYRCZUQCBFLS-SNVBAGLBSA-N 1 0 151.253 2.224 10 0 AEAERO CC[C@H]([NH3+])C[Si](C)(C)C 575530953 352559283 /nfs/dbraw/zinc/55/92/83/352559283.db2.gz LWVGUQSGGTUOHS-ZETCQYMHSA-N 1 0 145.322 2.062 10 0 AEAERO CC(C)C1([C@@H]([NH3+])C2CC2)CC1 575531079 352559510 /nfs/dbraw/zinc/55/95/10/352559510.db2.gz NBBABZLGBAXKGB-VIFPVBQESA-N 1 0 153.269 2.160 10 0 AEAERO [NH3+][C@H](c1ccns1)[C@]12CCC[C@H]1C2 575531128 352559534 /nfs/dbraw/zinc/55/95/34/352559534.db2.gz HAVXUIDVHMDOBB-SFGNSQDASA-N 1 0 194.303 2.333 10 0 AEAERO [NH3+][C@H](c1ccns1)[C@@]12CCC[C@@H]1C2 575531130 352559814 /nfs/dbraw/zinc/55/98/14/352559814.db2.gz HAVXUIDVHMDOBB-SZEHBUNVSA-N 1 0 194.303 2.333 10 0 AEAERO C[C@H]([NH3+])[C@@H]1C=CCCCCC1 575531285 352560087 /nfs/dbraw/zinc/56/00/87/352560087.db2.gz LIRVLEOEDYMNQM-VHSXEESVSA-N 1 0 153.269 2.470 10 0 AEAERO C[C@@H]([NH3+])[C@H]1C=CCCCCC1 575531287 352560161 /nfs/dbraw/zinc/56/01/61/352560161.db2.gz LIRVLEOEDYMNQM-ZJUUUORDSA-N 1 0 153.269 2.470 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1C=CCCCCC1 575531282 352560302 /nfs/dbraw/zinc/56/03/02/352560302.db2.gz LIRVLEOEDYMNQM-NXEZZACHSA-N 1 0 153.269 2.470 10 0 AEAERO C[C@H]([NH3+])[C@H]1C=CCCCCC1 575531283 352560356 /nfs/dbraw/zinc/56/03/56/352560356.db2.gz LIRVLEOEDYMNQM-UWVGGRQHSA-N 1 0 153.269 2.470 10 0 AEAERO C[C@]1(CC2([NH3+])CC=CC2)CC1(F)F 575531335 352560816 /nfs/dbraw/zinc/56/08/16/352560816.db2.gz LVJRDOORMAVLFM-QMMMGPOBSA-N 1 0 187.233 2.469 10 0 AEAERO C[C@@]1(CC2([NH3+])CC=CC2)CC1(F)F 575531333 352561155 /nfs/dbraw/zinc/56/11/55/352561155.db2.gz LVJRDOORMAVLFM-MRVPVSSYSA-N 1 0 187.233 2.469 10 0 AEAERO [NH3+]C1([C@H]2C=CCCC2)CC=CC1 575531434 352561574 /nfs/dbraw/zinc/56/15/74/352561574.db2.gz NJXHMCLSOZRFKC-JTQLQIEISA-N 1 0 163.264 2.390 10 0 AEAERO [NH3+]C1([C@@H]2C=CCCC2)CC=CC1 575531435 352561637 /nfs/dbraw/zinc/56/16/37/352561637.db2.gz NJXHMCLSOZRFKC-SNVBAGLBSA-N 1 0 163.264 2.390 10 0 AEAERO CC[C@H](C)[NH2+][C@@]12CCC[C@@H]1C2 575531550 352562058 /nfs/dbraw/zinc/56/20/58/352562058.db2.gz JASVVFBFPKIUGP-IVZWLZJFSA-N 1 0 153.269 2.317 10 0 AEAERO CC[C@H](C)[NH2+][C@]12CCC[C@H]1C2 575531547 352562116 /nfs/dbraw/zinc/56/21/16/352562116.db2.gz JASVVFBFPKIUGP-GUBZILKMSA-N 1 0 153.269 2.317 10 0 AEAERO C[NH2+][C@H](C)C1(C(C)C)CC1 575531763 352562626 /nfs/dbraw/zinc/56/26/26/352562626.db2.gz SMYMYJBDTSYKIY-MRVPVSSYSA-N 1 0 141.258 2.031 10 0 AEAERO C[NH2+][C@@H](C)C1(C(C)C)CC1 575531764 352562757 /nfs/dbraw/zinc/56/27/57/352562757.db2.gz SMYMYJBDTSYKIY-QMMMGPOBSA-N 1 0 141.258 2.031 10 0 AEAERO CCC[C@H]([NH3+])[C@@H]1C=CCCC1 575531811 352562946 /nfs/dbraw/zinc/56/29/46/352562946.db2.gz PJYWGEKVIWSCFU-ZJUUUORDSA-N 1 0 153.269 2.470 10 0 AEAERO CC[C@H]([NH3+])CC1CC(F)(F)C1 575531849 352562959 /nfs/dbraw/zinc/56/29/59/352562959.db2.gz QWYDFBYSJLLQQD-ZETCQYMHSA-N 1 0 163.211 2.159 10 0 AEAERO CCC[C@@H]([NH3+])[C@H]1C=CCCC1 575531810 352563069 /nfs/dbraw/zinc/56/30/69/352563069.db2.gz PJYWGEKVIWSCFU-VHSXEESVSA-N 1 0 153.269 2.470 10 0 AEAERO CCC[C@H]([NH3+])[C@H]1C=CCCC1 575531809 352563184 /nfs/dbraw/zinc/56/31/84/352563184.db2.gz PJYWGEKVIWSCFU-UWVGGRQHSA-N 1 0 153.269 2.470 10 0 AEAERO CC[C@@H]([NH3+])CC1CC(F)(F)C1 575531848 352563229 /nfs/dbraw/zinc/56/32/29/352563229.db2.gz QWYDFBYSJLLQQD-SSDOTTSWSA-N 1 0 163.211 2.159 10 0 AEAERO CCC[C@@H]([NH3+])[C@@H]1C=CCCC1 575531808 352563324 /nfs/dbraw/zinc/56/33/24/352563324.db2.gz PJYWGEKVIWSCFU-NXEZZACHSA-N 1 0 153.269 2.470 10 0 AEAERO CC(C)=C[C@H]([NH3+])[C@]12CCC[C@H]1C2 575531901 352563580 /nfs/dbraw/zinc/56/35/80/352563580.db2.gz LDZWGRNYWZCLOK-DCAQKATOSA-N 1 0 165.280 2.470 10 0 AEAERO CC[C@@H]([NH3+])C1(C(C)C)CC1 575531977 352563651 /nfs/dbraw/zinc/56/36/51/352563651.db2.gz TXJMDSDEKCJZBM-MRVPVSSYSA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@H]([NH3+])C1(C(C)C)CC1 575531979 352563718 /nfs/dbraw/zinc/56/37/18/352563718.db2.gz TXJMDSDEKCJZBM-QMMMGPOBSA-N 1 0 141.258 2.160 10 0 AEAERO CC(C)=C[C@H]([NH3+])[C@@]12CCC[C@@H]1C2 575531904 352563722 /nfs/dbraw/zinc/56/37/22/352563722.db2.gz LDZWGRNYWZCLOK-OUAUKWLOSA-N 1 0 165.280 2.470 10 0 AEAERO C1C[NH+]=C(N[C@@]23CCCC[C@@H]2C3)C1 575532077 352564016 /nfs/dbraw/zinc/56/40/16/352564016.db2.gz UGHFARUAYIMYFK-MWLCHTKSSA-N 1 0 178.279 2.101 10 0 AEAERO C1C[NH+]=C(N[C@]23CCCC[C@H]2C3)C1 575532078 352564131 /nfs/dbraw/zinc/56/41/31/352564131.db2.gz UGHFARUAYIMYFK-ONGXEEELSA-N 1 0 178.279 2.101 10 0 AEAERO CC(C)C(=[NH2+])N[C@@]12CCC[C@@H]1C2 575532399 352565917 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155.285 2.406 10 0 AEAERO C1C[C@@H]2C[C@]2([NH2+][C@H]2CCSC2)C1 575532221 352565317 /nfs/dbraw/zinc/56/53/17/352565317.db2.gz VIVHZGGCPNBGLF-KXUCPTDWSA-N 1 0 183.320 2.024 10 0 AEAERO C[C@@H]([NH3+])CC=C(Cl)Cl 575532333 352565742 /nfs/dbraw/zinc/56/57/42/352565742.db2.gz XIKJHANIGJWXLF-SCSAIBSYSA-N 1 0 154.040 2.043 10 0 AEAERO C[C@H]([NH3+])CC=C(Cl)Cl 575532332 352565828 /nfs/dbraw/zinc/56/58/28/352565828.db2.gz XIKJHANIGJWXLF-BYPYZUCNSA-N 1 0 154.040 2.043 10 0 AEAERO CC(C)[C@H]([NH3+])[C@@]12CCC[C@@H]1C2 575532437 352565869 /nfs/dbraw/zinc/56/58/69/352565869.db2.gz NZLIHPJPDOWPSL-KXUCPTDWSA-N 1 0 153.269 2.160 10 0 AEAERO CC(C)[C@H]([NH3+])[C@]12CCC[C@H]1C2 575532436 352565922 /nfs/dbraw/zinc/56/59/22/352565922.db2.gz NZLIHPJPDOWPSL-GUBZILKMSA-N 1 0 153.269 2.160 10 0 AEAERO CC(C)C(=[NH2+])N[C@]12CCC[C@H]1C2 575532405 352565931 /nfs/dbraw/zinc/56/59/31/352565931.db2.gz NNAZPONFKZNDCD-WPRPVWTQSA-N 1 0 166.268 2.152 10 0 AEAERO CC[NH2+]C[C@@]12CCCC[C@@H]1C2 575532459 352566288 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CC(C)[NH2+][C@@H]1CC[C@@H](C)SC1 575535228 352578744 /nfs/dbraw/zinc/57/87/44/352578744.db2.gz DNNWZFAEKRNMDY-RKDXNWHRSA-N 1 0 173.325 2.269 10 0 AEAERO C[C@@H]1CC[C@]2(CS1)[C@@H]([NH3+])C2(C)C 575535344 352579295 /nfs/dbraw/zinc/57/92/95/352579295.db2.gz TUQJYNVXBZIRJN-WEDXCCLWSA-N 1 0 185.336 2.255 10 0 AEAERO C[C@@H]1CC[C@]2(CS1)[C@H]([NH3+])C2(C)C 575535339 352579183 /nfs/dbraw/zinc/57/91/83/352579183.db2.gz TUQJYNVXBZIRJN-MRTMQBJTSA-N 1 0 185.336 2.255 10 0 AEAERO C[C@@H]1CC[C@@]2(CS1)[C@H]([NH3+])C2(C)C 575535342 352579308 /nfs/dbraw/zinc/57/93/08/352579308.db2.gz TUQJYNVXBZIRJN-NQMVMOMDSA-N 1 0 185.336 2.255 10 0 AEAERO C[C@@H]1CC[C@@]2(CS1)[C@@H]([NH3+])C2(C)C 575535336 352579312 /nfs/dbraw/zinc/57/93/12/352579312.db2.gz TUQJYNVXBZIRJN-KHQFGBGNSA-N 1 0 185.336 2.255 10 0 AEAERO CCC[NH2+][C@H]1CC[C@H](C)SC1 575535570 352579710 /nfs/dbraw/zinc/57/97/10/352579710.db2.gz QOGMCGDQSQRILA-IUCAKERBSA-N 1 0 173.325 2.270 10 0 AEAERO CCC[NH2+][C@@H]1CC[C@@H](C)SC1 575535571 352579842 /nfs/dbraw/zinc/57/98/42/352579842.db2.gz QOGMCGDQSQRILA-RKDXNWHRSA-N 1 0 173.325 2.270 10 0 AEAERO CCC[NH2+][C@@H]1CC[C@H](C)SC1 575535569 352579862 /nfs/dbraw/zinc/57/98/62/352579862.db2.gz QOGMCGDQSQRILA-DTWKUNHWSA-N 1 0 173.325 2.270 10 0 AEAERO C[NH2+]C[C@@H]1C[C@@]12CC[C@@H](C)SC2 575535475 352579873 /nfs/dbraw/zinc/57/98/73/352579873.db2.gz VVVPUKVPLWRDFN-KXUCPTDWSA-N 1 0 185.336 2.128 10 0 AEAERO C[NH2+]C[C@@H]1C[C@]12CC[C@@H](C)SC2 575535477 352579879 /nfs/dbraw/zinc/57/98/79/352579879.db2.gz VVVPUKVPLWRDFN-UTLUCORTSA-N 1 0 185.336 2.128 10 0 AEAERO CCC[NH2+][C@H]1CC[C@@H](C)SC1 575535568 352579917 /nfs/dbraw/zinc/57/99/17/352579917.db2.gz QOGMCGDQSQRILA-BDAKNGLRSA-N 1 0 173.325 2.270 10 0 AEAERO C[NH2+]C[C@@H]1C[C@]12CC[C@H](C)SC2 575535474 352579924 /nfs/dbraw/zinc/57/99/24/352579924.db2.gz VVVPUKVPLWRDFN-GUBZILKMSA-N 1 0 185.336 2.128 10 0 AEAERO C[NH2+]C[C@@H]1C[C@@]12CC[C@H](C)SC2 575535476 352580037 /nfs/dbraw/zinc/58/00/37/352580037.db2.gz VVVPUKVPLWRDFN-LPEHRKFASA-N 1 0 185.336 2.128 10 0 AEAERO C[C@@H]1CC[C@@H]([NH2+]C2CCC2)CS1 575535667 352580392 /nfs/dbraw/zinc/58/03/92/352580392.db2.gz VOXFIQNXHFCEKX-PSASIEDQSA-N 1 0 185.336 2.413 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2C)CS1 575535664 352580425 /nfs/dbraw/zinc/58/04/25/352580425.db2.gz VOIAJCAXCDGVCE-IMSYWVGJSA-N 1 0 185.336 2.269 10 0 AEAERO C[C@@H]1CC[C@@H]([NH2+]C2CC2)CS1 575535589 352580438 /nfs/dbraw/zinc/58/04/38/352580438.db2.gz RXZPXLKXMOIDAU-VXNVDRBHSA-N 1 0 171.309 2.023 10 0 AEAERO C[C@H]1CC[C@@H]([NH2+]C2CCC2)CS1 575535669 352580456 /nfs/dbraw/zinc/58/04/56/352580456.db2.gz VOXFIQNXHFCEKX-WCBMZHEXSA-N 1 0 185.336 2.413 10 0 AEAERO C[C@H]1CC[C@H]([NH2+]C2CCC2)CS1 575535670 352580524 /nfs/dbraw/zinc/58/05/24/352580524.db2.gz VOXFIQNXHFCEKX-WPRPVWTQSA-N 1 0 185.336 2.413 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)CS1 575535662 352580529 /nfs/dbraw/zinc/58/05/29/352580529.db2.gz VOIAJCAXCDGVCE-DOLQZWNJSA-N 1 0 185.336 2.269 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+]C2CCC2)CS1 575535668 352580549 /nfs/dbraw/zinc/58/05/49/352580549.db2.gz VOXFIQNXHFCEKX-SCZZXKLOSA-N 1 0 185.336 2.413 10 0 AEAERO C[C@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C)SC1 575535666 352580607 /nfs/dbraw/zinc/58/06/07/352580607.db2.gz VOIAJCAXCDGVCE-QCLAVDOMSA-N 1 0 185.336 2.269 10 0 AEAERO CCNc1ccc2c(c1)C[N@@H+](C)C2 575535683 352580686 /nfs/dbraw/zinc/58/06/86/352580686.db2.gz ZMJSKLMRIFHIJE-UHFFFAOYSA-N 1 0 176.263 2.064 10 0 AEAERO C[C@@H]1CC[C@H]([NH2+]C2CC2)CS1 575535586 352580744 /nfs/dbraw/zinc/58/07/44/352580744.db2.gz RXZPXLKXMOIDAU-APPZFPTMSA-N 1 0 171.309 2.023 10 0 AEAERO C[C@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C)SC1 575535665 352580755 /nfs/dbraw/zinc/58/07/55/352580755.db2.gz VOIAJCAXCDGVCE-JXUBOQSCSA-N 1 0 185.336 2.269 10 0 AEAERO C[C@H]1CC[C@@H]([NH2+]C2CC2)CS1 575535588 352580847 /nfs/dbraw/zinc/58/08/47/352580847.db2.gz RXZPXLKXMOIDAU-IONNQARKSA-N 1 0 171.309 2.023 10 0 AEAERO CCCc1cccc2c1OC[C@H]2[NH3+] 575536672 352585128 /nfs/dbraw/zinc/58/51/28/352585128.db2.gz DCAIYSBDRCPJER-SNVBAGLBSA-N 1 0 177.247 2.031 10 0 AEAERO CCCc1cccc2c1OC[C@@H]2[NH3+] 575536671 352585303 /nfs/dbraw/zinc/58/53/03/352585303.db2.gz DCAIYSBDRCPJER-JTQLQIEISA-N 1 0 177.247 2.031 10 0 AEAERO C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(C)(C)C 575536735 352586039 /nfs/dbraw/zinc/58/60/39/352586039.db2.gz SWPGIXGYNJNXHS-VGMNWLOBSA-N 1 0 155.285 2.277 10 0 AEAERO C[NH2+][C@H](C)[C@H]1C[C@H]1C(C)(C)C 575536734 352586057 /nfs/dbraw/zinc/58/60/57/352586057.db2.gz SWPGIXGYNJNXHS-IWSPIJDZSA-N 1 0 155.285 2.277 10 0 AEAERO C[NH2+][C@H](C)[C@H]1C[C@@H]1C(C)(C)C 575536732 352586214 /nfs/dbraw/zinc/58/62/14/352586214.db2.gz SWPGIXGYNJNXHS-HLTSFMKQSA-N 1 0 155.285 2.277 10 0 AEAERO CC1(C)C[C@]1(C[NH3+])CC1CC1 575537050 352587739 /nfs/dbraw/zinc/58/77/39/352587739.db2.gz DVILYPVVETYRHB-JTQLQIEISA-N 1 0 153.269 2.162 10 0 AEAERO CC[C@](C)([NH3+])[C@H]1CCCC[C@]1(C)O 575537109 352587965 /nfs/dbraw/zinc/58/79/65/352587965.db2.gz GGEZNFRDTJFYME-VWYCJHECSA-N 1 0 185.311 2.055 10 0 AEAERO CC[C@@](C)([NH3+])[C@@H]1CCCC[C@@]1(C)O 575537107 352587969 /nfs/dbraw/zinc/58/79/69/352587969.db2.gz GGEZNFRDTJFYME-HBNTYKKESA-N 1 0 185.311 2.055 10 0 AEAERO CC1(C)C[C@]1(C[NH3+])CC(F)F 575537095 352588016 /nfs/dbraw/zinc/58/80/16/352588016.db2.gz GDEWVCFVXMYRSR-QMMMGPOBSA-N 1 0 163.211 2.017 10 0 AEAERO CC[C@](C)([NH3+])[C@@H]1CCCC[C@@]1(C)O 575537106 352588084 /nfs/dbraw/zinc/58/80/84/352588084.db2.gz GGEZNFRDTJFYME-GARJFASQSA-N 1 0 185.311 2.055 10 0 AEAERO CC[C@](C)([NH3+])[C@H]1CCCC[C@@]1(C)O 575537108 352588142 /nfs/dbraw/zinc/58/81/42/352588142.db2.gz GGEZNFRDTJFYME-OUAUKWLOSA-N 1 0 185.311 2.055 10 0 AEAERO CC[C@](C)([NH3+])[C@@H]1CCCC[C@]1(C)O 575537105 352588237 /nfs/dbraw/zinc/58/82/37/352588237.db2.gz GGEZNFRDTJFYME-DCAQKATOSA-N 1 0 185.311 2.055 10 0 AEAERO CC1(C)C[C@@]1(C[NH3+])CC(F)F 575537094 352588264 /nfs/dbraw/zinc/58/82/64/352588264.db2.gz GDEWVCFVXMYRSR-MRVPVSSYSA-N 1 0 163.211 2.017 10 0 AEAERO CC1(C)C[C@@]1(C[NH3+])CC1CC1 575537051 352588345 /nfs/dbraw/zinc/58/83/45/352588345.db2.gz DVILYPVVETYRHB-SNVBAGLBSA-N 1 0 153.269 2.162 10 0 AEAERO CC(C)(C)[C@@H]1[C@H](C[NH3+])C1(C)C 575537320 352589573 /nfs/dbraw/zinc/58/95/73/352589573.db2.gz GQSNHYQQZHEEOE-YUMQZZPRSA-N 1 0 155.285 2.263 10 0 AEAERO CC(C)(C)[C@@H]1[C@@H](C[NH3+])C1(C)C 575537318 352589601 /nfs/dbraw/zinc/58/96/01/352589601.db2.gz GQSNHYQQZHEEOE-SFYZADRCSA-N 1 0 155.285 2.263 10 0 AEAERO CC(C)(C)[C@H]1[C@H](C[NH3+])C1(C)C 575537315 352589776 /nfs/dbraw/zinc/58/97/76/352589776.db2.gz GQSNHYQQZHEEOE-JGVFFNPUSA-N 1 0 155.285 2.263 10 0 AEAERO CC(C)(C)[C@H]1[C@@H](C[NH3+])C1(C)C 575537313 352589788 /nfs/dbraw/zinc/58/97/88/352589788.db2.gz GQSNHYQQZHEEOE-HTQZYQBOSA-N 1 0 155.285 2.263 10 0 AEAERO Cc1nc([C@H]([NH3+])C(C)(C)C)[nH]c1C 575537396 352589995 /nfs/dbraw/zinc/58/99/95/352589995.db2.gz HTTSEDHFZUXNOM-QMMMGPOBSA-N 1 0 181.283 2.072 10 0 AEAERO [NH3+][C@]1(c2nccs2)CCCC12CC2 575537513 352590097 /nfs/dbraw/zinc/59/00/97/352590097.db2.gz GDGDUHLMLHXGTC-JTQLQIEISA-N 1 0 194.303 2.261 10 0 AEAERO [NH3+][C@@]1(c2nccs2)CCCC12CC2 575537515 352590309 /nfs/dbraw/zinc/59/03/09/352590309.db2.gz GDGDUHLMLHXGTC-SNVBAGLBSA-N 1 0 194.303 2.261 10 0 AEAERO C/C=C/C[C@@]1(C[NH3+])CC1(C)C 575537635 352590874 /nfs/dbraw/zinc/59/08/74/352590874.db2.gz KMSSJIHKDDPNFQ-YEZKRMTDSA-N 1 0 153.269 2.328 10 0 AEAERO CC[NH2+]C[C@@H]1CCCC12CC2 575537556 352590948 /nfs/dbraw/zinc/59/09/48/352590948.db2.gz GSZOWEBISLGCKD-VIFPVBQESA-N 1 0 153.269 2.176 10 0 AEAERO CC[NH2+]C[C@H]1CCCC12CC2 575537555 352591039 /nfs/dbraw/zinc/59/10/39/352591039.db2.gz GSZOWEBISLGCKD-SECBINFHSA-N 1 0 153.269 2.176 10 0 AEAERO C/C=C/C[C@]1(C[NH3+])CC1(C)C 575537634 352591233 /nfs/dbraw/zinc/59/12/33/352591233.db2.gz KMSSJIHKDDPNFQ-ORAHPGNNSA-N 1 0 153.269 2.328 10 0 AEAERO CC[C@H]([NH3+])[C@@H]1C[C@H]1C(C)(C)C 575537830 352592185 /nfs/dbraw/zinc/59/21/85/352592185.db2.gz LRRFCUFSAKMLIK-HLTSFMKQSA-N 1 0 155.285 2.406 10 0 AEAERO CC[C@H]([NH3+])[C@H]1C[C@H]1C(C)(C)C 575537832 352592323 /nfs/dbraw/zinc/59/23/23/352592323.db2.gz LRRFCUFSAKMLIK-YIZRAAEISA-N 1 0 155.285 2.406 10 0 AEAERO CC(C)[C@H]([NH3+])C[C@@H]1C[C@H]1C 575537819 352592364 /nfs/dbraw/zinc/59/23/64/352592364.db2.gz IZCKCVWRULSKHG-HRDYMLBCSA-N 1 0 141.258 2.016 10 0 AEAERO CC(C)[C@H]([NH3+])C[C@@H]1C[C@@H]1C 575537821 352592425 /nfs/dbraw/zinc/59/24/25/352592425.db2.gz IZCKCVWRULSKHG-XHNCKOQMSA-N 1 0 141.258 2.016 10 0 AEAERO CC(C)[C@H]([NH3+])C[C@H]1C[C@H]1C 575537820 352592468 /nfs/dbraw/zinc/59/24/68/352592468.db2.gz IZCKCVWRULSKHG-IWSPIJDZSA-N 1 0 141.258 2.016 10 0 AEAERO CC[C@H]([NH3+])[C@H]1C[C@@H]1C(C)(C)C 575537829 352592476 /nfs/dbraw/zinc/59/24/76/352592476.db2.gz LRRFCUFSAKMLIK-CIUDSAMLSA-N 1 0 155.285 2.406 10 0 AEAERO C[C@@H]1C[C@@H]1[C@H]1[NH2+]CCc2occc21 575538879 352595947 /nfs/dbraw/zinc/59/59/47/352595947.db2.gz QLWRYMPQUSXAQF-HDBBIHSSSA-N 1 0 177.247 2.122 10 0 AEAERO C[C@@H]1C[C@H]1[C@@H]1[NH2+]CCc2occc21 575538812 352596173 /nfs/dbraw/zinc/59/61/73/352596173.db2.gz QLWRYMPQUSXAQF-BCMRRPTOSA-N 1 0 177.247 2.122 10 0 AEAERO C[C@@H]1C[C@H]1[C@H]1[NH2+]CCc2occc21 575538884 352596186 /nfs/dbraw/zinc/59/61/86/352596186.db2.gz QLWRYMPQUSXAQF-ZOFUNIGCSA-N 1 0 177.247 2.122 10 0 AEAERO C[C@@H]1C[C@@H]1[C@@H]1[NH2+]CCc2occc21 575538882 352596398 /nfs/dbraw/zinc/59/63/98/352596398.db2.gz QLWRYMPQUSXAQF-POZPLHJXSA-N 1 0 177.247 2.122 10 0 AEAERO C[C@@H]1COC[C@@H]1[C@@H]([NH3+])c1ccsc1 575538982 352596701 /nfs/dbraw/zinc/59/67/01/352596701.db2.gz RRXUNCJTJCLWGH-JEZHCXPESA-N 1 0 197.303 2.030 10 0 AEAERO C[C@@H]1COC[C@@H]1[C@H]([NH3+])c1ccsc1 575538979 352596711 /nfs/dbraw/zinc/59/67/11/352596711.db2.gz RRXUNCJTJCLWGH-FKTZTGRPSA-N 1 0 197.303 2.030 10 0 AEAERO CCC(C)(C)[C@H]1C[C@H]1C[NH3+] 575539011 352596721 /nfs/dbraw/zinc/59/67/21/352596721.db2.gz VGSCUOGCCYFCRA-YUMQZZPRSA-N 1 0 141.258 2.017 10 0 AEAERO CCC(C)(C)[C@@H]1C[C@H]1C[NH3+] 575539000 352596811 /nfs/dbraw/zinc/59/68/11/352596811.db2.gz VGSCUOGCCYFCRA-JGVFFNPUSA-N 1 0 141.258 2.017 10 0 AEAERO 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185.311 2.175 10 0 AEAERO CC[C@H](C)[C@@]1([NH3+])CSC[C@@H]1C 575560245 352675762 /nfs/dbraw/zinc/67/57/62/352675762.db2.gz HOSDETTUKMSJDC-CIUDSAMLSA-N 1 0 173.325 2.113 10 0 AEAERO CC1(C)CC[C@@]1([NH3+])Cc1cncs1 575560306 352675813 /nfs/dbraw/zinc/67/58/13/352675813.db2.gz JVQLJIXKSCFJRW-SNVBAGLBSA-N 1 0 196.319 2.203 10 0 AEAERO CC(C)[C@@H]1C[C@@]([NH3+])(C(C)C)CCO1 575560288 352675817 /nfs/dbraw/zinc/67/58/17/352675817.db2.gz JTTLKYPPKMEIIX-WDEREUQCSA-N 1 0 185.311 2.175 10 0 AEAERO C[C@@]1([NH3+])CCC12CCCCC2 575560189 352675822 /nfs/dbraw/zinc/67/58/22/352675822.db2.gz GXNQNMALZSPYOK-SECBINFHSA-N 1 0 153.269 2.448 10 0 AEAERO C[C@H]1[C@H](C)C[C@]1([NH3+])Cc1nccs1 575560279 352675857 /nfs/dbraw/zinc/67/58/57/352675857.db2.gz JTKAHYUZOKTEKJ-WEDXCCLWSA-N 1 0 196.319 2.059 10 0 AEAERO CC(C)[C@H]1C[C@]([NH3+])(C(C)C)CCO1 575560284 352675862 /nfs/dbraw/zinc/67/58/62/352675862.db2.gz JTTLKYPPKMEIIX-MNOVXSKESA-N 1 0 185.311 2.175 10 0 AEAERO C[C@]1([NH3+])CCC12CCCCC2 575560191 352675945 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/nfs/dbraw/zinc/67/71/31/352677131.db2.gz LGZSWHPVZBBDKZ-VIFPVBQESA-N 1 0 182.292 2.117 10 0 AEAERO C/C(=C\c1nc(C)sc1C)C[NH3+] 575560485 352677183 /nfs/dbraw/zinc/67/71/83/352677183.db2.gz TZBWFWMSDXNROK-GQCTYLIASA-N 1 0 182.292 2.122 10 0 AEAERO CC1(C)CSC[C@]([NH3+])(C2CC2)C1 575560574 352677186 /nfs/dbraw/zinc/67/71/86/352677186.db2.gz KBHUEGXDNMLDNF-JTQLQIEISA-N 1 0 185.336 2.257 10 0 AEAERO C/C=C/[C@H]([NH3+])c1ccc(F)cc1 575560501 352677188 /nfs/dbraw/zinc/67/71/88/352677188.db2.gz UHEBYHNXVFHIAZ-PBKGFPTLSA-N 1 0 165.211 2.402 10 0 AEAERO C/C=C/[C@@H]([NH3+])CC(C)(C)C 575560519 352677200 /nfs/dbraw/zinc/67/72/00/352677200.db2.gz UUNAAQLZZSSOAP-HQZHTGGTSA-N 1 0 141.258 2.326 10 0 AEAERO C/C(=C/c1nc(C)sc1C)C[NH3+] 575560486 352677275 /nfs/dbraw/zinc/67/72/75/352677275.db2.gz TZBWFWMSDXNROK-XQRVVYSFSA-N 1 0 182.292 2.122 10 0 AEAERO C/C=C/[C@@H]([NH3+])c1ccc(F)cc1 575560502 352677279 /nfs/dbraw/zinc/67/72/79/352677279.db2.gz UHEBYHNXVFHIAZ-VMZHVLLKSA-N 1 0 165.211 2.402 10 0 AEAERO CC1(C)CSC[C@@]([NH3+])(C2CC2)C1 575560575 352677335 /nfs/dbraw/zinc/67/73/35/352677335.db2.gz KBHUEGXDNMLDNF-SNVBAGLBSA-N 1 0 185.336 2.257 10 0 AEAERO CC1(C)CC([NH3+])(Cc2cncs2)C1 575560595 352677347 /nfs/dbraw/zinc/67/73/47/352677347.db2.gz LHONTRYNQUNNFH-UHFFFAOYSA-N 1 0 196.319 2.203 10 0 AEAERO C/C=C/[C@H]([NH3+])CC(C)(C)C 575560518 352677356 /nfs/dbraw/zinc/67/73/56/352677356.db2.gz UUNAAQLZZSSOAP-GJIOHYHPSA-N 1 0 141.258 2.326 10 0 AEAERO C[C@@H]1CSC[C@@]1([NH3+])C1CCCC1 575560614 352677729 /nfs/dbraw/zinc/67/77/29/352677729.db2.gz KQFQOKAUTJBEPE-SCZZXKLOSA-N 1 0 185.336 2.257 10 0 AEAERO CC1(C)CCSC[C@]1([NH3+])C1CC1 575560698 352677712 /nfs/dbraw/zinc/67/77/12/352677712.db2.gz LLSCRBZUSMTHEK-JTQLQIEISA-N 1 0 185.336 2.257 10 0 AEAERO Cc1cc([C@]2([NH3+])C[C@H](C)[C@H]2C)sn1 575560615 352677720 /nfs/dbraw/zinc/67/77/20/352677720.db2.gz LQEBZHBZCUNOMW-IONOHQLYSA-N 1 0 196.319 2.281 10 0 AEAERO CC[NH2+][C@@H](C)[C@]1(C)CC1(C)C 575560662 352677742 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Cc1cc([C@@H]2[NH2+]CC2(C)C)ccn1 575572737 352738304 /nfs/dbraw/zinc/73/83/04/352738304.db2.gz QEKNHYFJYKSDKY-JTQLQIEISA-N 1 0 176.263 2.061 10 0 AEAERO CC[C@]1([NH3+])CCCS[C@@H]1C 575572794 352738352 /nfs/dbraw/zinc/73/83/52/352738352.db2.gz QKLDDYTXHYHCGU-SFYZADRCSA-N 1 0 159.298 2.009 10 0 AEAERO CCCC[C@@]1([NH3+])CCSC1 575572901 352738489 /nfs/dbraw/zinc/73/84/89/352738489.db2.gz SCAWZYJXECYISP-MRVPVSSYSA-N 1 0 159.298 2.011 10 0 AEAERO C[C@H]1C[C@@]([NH3+])(c2cccs2)CS1 575572886 352738547 /nfs/dbraw/zinc/73/85/47/352738547.db2.gz RMUYUHGBFUIHLB-CBAPKCEASA-N 1 0 199.344 2.428 10 0 AEAERO Cc1ccsc1[C@]1([NH3+])CCSC1 575572896 352738569 /nfs/dbraw/zinc/73/85/69/352738569.db2.gz RUZGUSXOGRXCNZ-VIFPVBQESA-N 1 0 199.344 2.347 10 0 AEAERO CCCC[C@]1([NH3+])CCSC1 575572902 352738593 /nfs/dbraw/zinc/73/85/93/352738593.db2.gz SCAWZYJXECYISP-QMMMGPOBSA-N 1 0 159.298 2.011 10 0 AEAERO C[C@@H]1C[C@]([NH3+])(c2cccs2)CS1 575572888 352738639 /nfs/dbraw/zinc/73/86/39/352738639.db2.gz 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575572885 352738886 /nfs/dbraw/zinc/73/88/86/352738886.db2.gz RMUYUHGBFUIHLB-APPZFPTMSA-N 1 0 199.344 2.428 10 0 AEAERO CC[NH2+][C@H](C)[C@@]1(C)C[C@@H]1C 575573086 352739411 /nfs/dbraw/zinc/73/94/11/352739411.db2.gz YTJQKHNMKIXAGF-YIZRAAEISA-N 1 0 141.258 2.031 10 0 AEAERO CC[NH2+][C@H](C)[C@@]1(C)C[C@H]1C 575573082 352739483 /nfs/dbraw/zinc/73/94/83/352739483.db2.gz YTJQKHNMKIXAGF-HLTSFMKQSA-N 1 0 141.258 2.031 10 0 AEAERO CC[NH2+][C@H](C)[C@]1(C)C[C@H]1C 575573084 352739517 /nfs/dbraw/zinc/73/95/17/352739517.db2.gz YTJQKHNMKIXAGF-IWSPIJDZSA-N 1 0 141.258 2.031 10 0 AEAERO CC[NH2+][C@H](C)[C@]1(C)C[C@@H]1C 575573081 352739560 /nfs/dbraw/zinc/73/95/60/352739560.db2.gz YTJQKHNMKIXAGF-DJLDLDEBSA-N 1 0 141.258 2.031 10 0 AEAERO CCC[C@@H](C)[C@@]1([NH3+])CCSC1 575573124 352740046 /nfs/dbraw/zinc/74/00/46/352740046.db2.gz SVBAPOOFRZPPKP-RKDXNWHRSA-N 1 0 173.325 2.257 10 0 AEAERO CCC[C@@H](C)[C@]1([NH3+])CCSC1 575573121 352740084 /nfs/dbraw/zinc/74/00/84/352740084.db2.gz SVBAPOOFRZPPKP-BDAKNGLRSA-N 1 0 173.325 2.257 10 0 AEAERO C/C(=C\c1cncc(Cl)c1)[C@H](C)[NH3+] 575573119 352740113 /nfs/dbraw/zinc/74/01/13/352740113.db2.gz SUVXKSOKXMCQFC-DKCNVOGISA-N 1 0 196.681 2.486 10 0 AEAERO CCC[C@H](C)[C@]1([NH3+])CCSC1 575573123 352740126 /nfs/dbraw/zinc/74/01/26/352740126.db2.gz SVBAPOOFRZPPKP-IUCAKERBSA-N 1 0 173.325 2.257 10 0 AEAERO C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1cnsc1 575573135 352740153 /nfs/dbraw/zinc/74/01/53/352740153.db2.gz TUVCRFXWPRXANN-YEPSODPASA-N 1 0 182.292 2.189 10 0 AEAERO C/C(=C\c1cncc(Cl)c1)[C@@H](C)[NH3+] 575573120 352740338 /nfs/dbraw/zinc/74/03/38/352740338.db2.gz SUVXKSOKXMCQFC-HOOMWESVSA-N 1 0 196.681 2.486 10 0 AEAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1cnsc1 575573132 352740357 /nfs/dbraw/zinc/74/03/57/352740357.db2.gz TUVCRFXWPRXANN-BWVDBABLSA-N 1 0 182.292 2.189 10 0 AEAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1cnsc1 575573133 352740365 /nfs/dbraw/zinc/74/03/65/352740365.db2.gz TUVCRFXWPRXANN-FTLITQJKSA-N 1 0 182.292 2.189 10 0 AEAERO CCC[C@H](C)[C@@]1([NH3+])CCSC1 575573122 352740417 /nfs/dbraw/zinc/74/04/17/352740417.db2.gz SVBAPOOFRZPPKP-DTWKUNHWSA-N 1 0 173.325 2.257 10 0 AEAERO C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1cnsc1 575573134 352740468 /nfs/dbraw/zinc/74/04/68/352740468.db2.gz TUVCRFXWPRXANN-VDAHYXPESA-N 1 0 182.292 2.189 10 0 AEAERO CCC(C)(C)[C@H](C)[C@H](C)[NH3+] 575573277 352741008 /nfs/dbraw/zinc/74/10/08/352741008.db2.gz WDIOKIOXAVYACI-SFYZADRCSA-N 1 0 143.274 2.406 10 0 AEAERO CC[C@@H]1[NH2+]CC2(CCC2)O[C@@H]1CC 575573347 352740740 /nfs/dbraw/zinc/74/07/40/352740740.db2.gz XPVDEMQUQWNIPE-VHSXEESVSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@H]1[NH2+]CC2(CCC2)O[C@@H]1CC 575573345 352740757 /nfs/dbraw/zinc/74/07/57/352740757.db2.gz XPVDEMQUQWNIPE-NXEZZACHSA-N 1 0 183.295 2.086 10 0 AEAERO CC[C@]1([NH3+])CCCSCC1 575573327 352740760 /nfs/dbraw/zinc/74/07/60/352740760.db2.gz XHLOJNUYQQRQMZ-QMMMGPOBSA-N 1 0 159.298 2.011 10 0 AEAERO C[C@@H]1C[C@]([NH3+])(C2CCCC2)[C@@H](C)O1 575573288 352740780 /nfs/dbraw/zinc/74/07/80/352740780.db2.gz WMKXUDMQTYGMMO-FXPVBKGRSA-N 1 0 183.295 2.071 10 0 AEAERO CCC(C)(C)[C@@H](C)[C@@H](C)[NH3+] 575573276 352741229 /nfs/dbraw/zinc/74/12/29/352741229.db2.gz WDIOKIOXAVYACI-JGVFFNPUSA-N 1 0 143.274 2.406 10 0 AEAERO CC[C@@H]1[NH2+]CC2(CCC2)O[C@H]1CC 575573346 352740801 /nfs/dbraw/zinc/74/08/01/352740801.db2.gz XPVDEMQUQWNIPE-UWVGGRQHSA-N 1 0 183.295 2.086 10 0 AEAERO C[C@H]1C[C@@](C)([NH3+])c2ccccc21 575573361 352740844 /nfs/dbraw/zinc/74/08/44/352740844.db2.gz UZDYRJMJLLKXAN-GZMMTYOYSA-N 1 0 161.248 2.368 10 0 AEAERO C[C@H]1C[C@](C)([NH3+])c2ccccc21 575573369 352740994 /nfs/dbraw/zinc/74/09/94/352740994.db2.gz UZDYRJMJLLKXAN-KWQFWETISA-N 1 0 161.248 2.368 10 0 AEAERO CCC1(CC)COC2(CCC2)C[NH2+]1 575573392 352741003 /nfs/dbraw/zinc/74/10/03/352741003.db2.gz XRMDNNDEEOOOKB-UHFFFAOYSA-N 1 0 183.295 2.088 10 0 AEAERO C[C@@H]1O[C@H](C)C[C@@]1([NH3+])C1CCCC1 575573291 352741013 /nfs/dbraw/zinc/74/10/13/352741013.db2.gz WMKXUDMQTYGMMO-YWVKMMECSA-N 1 0 183.295 2.071 10 0 AEAERO C[C@@H]1C[C@@](C)([NH3+])c2ccccc21 575573370 352741028 /nfs/dbraw/zinc/74/10/28/352741028.db2.gz UZDYRJMJLLKXAN-LDYMZIIASA-N 1 0 161.248 2.368 10 0 AEAERO CC[C@@H]1OC2(CCC2)C[NH2+][C@@H]1CC 575573350 352741057 /nfs/dbraw/zinc/74/10/57/352741057.db2.gz XPVDEMQUQWNIPE-ZJUUUORDSA-N 1 0 183.295 2.086 10 0 AEAERO CCC(C)(C)[C@@H](C)[C@H](C)[NH3+] 575573278 352741061 /nfs/dbraw/zinc/74/10/61/352741061.db2.gz WDIOKIOXAVYACI-YUMQZZPRSA-N 1 0 143.274 2.406 10 0 AEAERO CCC(C)(C)[C@H](C)[C@@H](C)[NH3+] 575573275 352741107 /nfs/dbraw/zinc/74/11/07/352741107.db2.gz WDIOKIOXAVYACI-HTQZYQBOSA-N 1 0 143.274 2.406 10 0 AEAERO C[C@@H]1C[C@](C)([NH3+])c2ccccc21 575573367 352741137 /nfs/dbraw/zinc/74/11/37/352741137.db2.gz UZDYRJMJLLKXAN-KCJUWKMLSA-N 1 0 161.248 2.368 10 0 AEAERO CC[C@@]1([NH3+])CCCSCC1 575573326 352741162 /nfs/dbraw/zinc/74/11/62/352741162.db2.gz XHLOJNUYQQRQMZ-MRVPVSSYSA-N 1 0 159.298 2.011 10 0 AEAERO C[C@@H]1C[C@@]([NH3+])(C2CCCC2)[C@@H](C)O1 575573289 352741195 /nfs/dbraw/zinc/74/11/95/352741195.db2.gz WMKXUDMQTYGMMO-KKZNHRDASA-N 1 0 183.295 2.071 10 0 AEAERO C[C@@H]1O[C@H](C)C[C@]1([NH3+])C1CCCC1 575573290 352741248 /nfs/dbraw/zinc/74/12/48/352741248.db2.gz WMKXUDMQTYGMMO-WCABBAIRSA-N 1 0 183.295 2.071 10 0 AEAERO Cc1ccc([C@@]2([NH3+])CCSC2)s1 575573422 352741691 /nfs/dbraw/zinc/74/16/91/352741691.db2.gz VNMXKALSPDAQBF-SECBINFHSA-N 1 0 199.344 2.347 10 0 AEAERO CC(C)[C@H](C)[C@@]1([NH3+])C[C@@H](C)O[C@@H]1C 575573536 352741548 /nfs/dbraw/zinc/74/15/48/352741548.db2.gz XYFLYCOUMZTZLY-YTWAJWBKSA-N 1 0 185.311 2.173 10 0 AEAERO Cc1ccc([C@]2([NH3+])CCSC2)s1 575573423 352741561 /nfs/dbraw/zinc/74/15/61/352741561.db2.gz VNMXKALSPDAQBF-VIFPVBQESA-N 1 0 199.344 2.347 10 0 AEAERO [NH3+][C@@]1(CC2CCCC2)CCSC1 575573438 352741584 /nfs/dbraw/zinc/74/15/84/352741584.db2.gz VUGCTWLRJDYQIM-SNVBAGLBSA-N 1 0 185.336 2.401 10 0 AEAERO [NH3+][C@]1(CC2CCCC2)CCSC1 575573437 352741610 /nfs/dbraw/zinc/74/16/10/352741610.db2.gz VUGCTWLRJDYQIM-JTQLQIEISA-N 1 0 185.336 2.401 10 0 AEAERO CC(C)[C@@H](C)[C@@]1([NH3+])C[C@@H](C)O[C@@H]1C 575573534 352741638 /nfs/dbraw/zinc/74/16/38/352741638.db2.gz XYFLYCOUMZTZLY-DBIOUOCHSA-N 1 0 185.311 2.173 10 0 AEAERO CC(C)C[C@@]1([NH3+])CS[C@H](C)C1 575573456 352741653 /nfs/dbraw/zinc/74/16/53/352741653.db2.gz WBPVZFZBALLVPB-BDAKNGLRSA-N 1 0 173.325 2.255 10 0 AEAERO CC(C)C[C@]1([NH3+])CS[C@@H](C)C1 575573457 352741660 /nfs/dbraw/zinc/74/16/60/352741660.db2.gz WBPVZFZBALLVPB-DTWKUNHWSA-N 1 0 173.325 2.255 10 0 AEAERO CC(C)C[C@@]1([NH3+])CS[C@@H](C)C1 575573458 352741741 /nfs/dbraw/zinc/74/17/41/352741741.db2.gz WBPVZFZBALLVPB-IUCAKERBSA-N 1 0 173.325 2.255 10 0 AEAERO CC(C)C[C@]1([NH3+])CS[C@H](C)C1 575573459 352741792 /nfs/dbraw/zinc/74/17/92/352741792.db2.gz WBPVZFZBALLVPB-RKDXNWHRSA-N 1 0 173.325 2.255 10 0 AEAERO CC(C)[C@@H](C)[C@@]1([NH3+])C[C@@H](C)O[C@H]1C 575573537 352741804 /nfs/dbraw/zinc/74/18/04/352741804.db2.gz XYFLYCOUMZTZLY-ZNSHCXBVSA-N 1 0 185.311 2.173 10 0 AEAERO CC(C)[C@H](C)[C@@]1([NH3+])C[C@@H](C)O[C@H]1C 575573535 352741835 /nfs/dbraw/zinc/74/18/35/352741835.db2.gz XYFLYCOUMZTZLY-RCWTZXSCSA-N 1 0 185.311 2.173 10 0 AEAERO C[C@@H]1C[C@@]1(C)[NH2+][C@H]1C=CCCC1 575573687 352742235 /nfs/dbraw/zinc/74/22/35/352742235.db2.gz XORRCOOGFIKCCV-OUAUKWLOSA-N 1 0 165.280 2.483 10 0 AEAERO CCC[C@@]1([NH3+])CCCSCC1 575573666 352742282 /nfs/dbraw/zinc/74/22/82/352742282.db2.gz ZDCFZFGJNOPYSH-SECBINFHSA-N 1 0 173.325 2.401 10 0 AEAERO C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1cscn1 575573614 352742306 /nfs/dbraw/zinc/74/23/06/352742306.db2.gz XCJNSBVKPOABFG-VDAHYXPESA-N 1 0 182.292 2.189 10 0 AEAERO Cc1ncsc1[C@H]([NH3+])[C@@]1(C)C[C@@H]1C 575573682 352742318 /nfs/dbraw/zinc/74/23/18/352742318.db2.gz XNVLQDIWMKYGNK-JUWDTYFHSA-N 1 0 196.319 2.497 10 0 AEAERO CCC[C@@](C)([NH3+])c1ccsn1 575573600 352742357 /nfs/dbraw/zinc/74/23/57/352742357.db2.gz YSELNFYBIBZLBN-MRVPVSSYSA-N 1 0 170.281 2.117 10 0 AEAERO C[C@@H]1CC[C@]([NH3+])(C2CC2)CS1 575573678 352742363 /nfs/dbraw/zinc/74/23/63/352742363.db2.gz ZDICPZYHQYXGFR-VXNVDRBHSA-N 1 0 171.309 2.009 10 0 AEAERO CCC[C@]1([NH3+])CCCSCC1 575573667 352742368 /nfs/dbraw/zinc/74/23/68/352742368.db2.gz ZDCFZFGJNOPYSH-VIFPVBQESA-N 1 0 173.325 2.401 10 0 AEAERO C[C@@H]1CC[C@@]([NH3+])(C2CC2)CS1 575573672 352742376 /nfs/dbraw/zinc/74/23/76/352742376.db2.gz ZDICPZYHQYXGFR-APPZFPTMSA-N 1 0 171.309 2.009 10 0 AEAERO C[C@@H]1C[C@]1(C)[NH2+][C@H]1C=CCCC1 575573688 352742380 /nfs/dbraw/zinc/74/23/80/352742380.db2.gz XORRCOOGFIKCCV-VWYCJHECSA-N 1 0 165.280 2.483 10 0 AEAERO Cc1ncsc1[C@H]([NH3+])[C@]1(C)C[C@H]1C 575573684 352742396 /nfs/dbraw/zinc/74/23/96/352742396.db2.gz XNVLQDIWMKYGNK-WHFVKQHSSA-N 1 0 196.319 2.497 10 0 AEAERO CCC[C@](C)([NH3+])c1ccsn1 575573602 352742421 /nfs/dbraw/zinc/74/24/21/352742421.db2.gz YSELNFYBIBZLBN-QMMMGPOBSA-N 1 0 170.281 2.117 10 0 AEAERO C[C@@H]1C[C@]1(C)[NH2+][C@@H]1C=CCCC1 575573686 352742436 /nfs/dbraw/zinc/74/24/36/352742436.db2.gz XORRCOOGFIKCCV-MXWKQRLJSA-N 1 0 165.280 2.483 10 0 AEAERO C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1cscn1 575573615 352742446 /nfs/dbraw/zinc/74/24/46/352742446.db2.gz XCJNSBVKPOABFG-YEPSODPASA-N 1 0 182.292 2.189 10 0 AEAERO [NH3+][C@]1(c2ccccc2F)CCSC1 575573690 352742468 /nfs/dbraw/zinc/74/24/68/352742468.db2.gz XROSXXFTTRWUCE-SNVBAGLBSA-N 1 0 197.278 2.117 10 0 AEAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1cscn1 575573612 352742505 /nfs/dbraw/zinc/74/25/05/352742505.db2.gz XCJNSBVKPOABFG-BWVDBABLSA-N 1 0 182.292 2.189 10 0 AEAERO Cc1ncsc1[C@H]([NH3+])[C@@]1(C)C[C@H]1C 575573683 352742515 /nfs/dbraw/zinc/74/25/15/352742515.db2.gz XNVLQDIWMKYGNK-UASFKTIASA-N 1 0 196.319 2.497 10 0 AEAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1cscn1 575573613 352742554 /nfs/dbraw/zinc/74/25/54/352742554.db2.gz XCJNSBVKPOABFG-FTLITQJKSA-N 1 0 182.292 2.189 10 0 AEAERO [NH3+][C@@]1(c2ccccc2F)CCSC1 575573689 352742566 /nfs/dbraw/zinc/74/25/66/352742566.db2.gz XROSXXFTTRWUCE-JTQLQIEISA-N 1 0 197.278 2.117 10 0 AEAERO C[C@H]1CC[C@]([NH3+])(C2CC2)CS1 575573676 352742601 /nfs/dbraw/zinc/74/26/01/352742601.db2.gz ZDICPZYHQYXGFR-IONNQARKSA-N 1 0 171.309 2.009 10 0 AEAERO Cc1ncsc1[C@H]([NH3+])[C@]1(C)C[C@@H]1C 575573681 352742616 /nfs/dbraw/zinc/74/26/16/352742616.db2.gz XNVLQDIWMKYGNK-JMOVZRAMSA-N 1 0 196.319 2.497 10 0 AEAERO C[C@H]1CC[C@@]([NH3+])(C2CC2)CS1 575573674 352742621 /nfs/dbraw/zinc/74/26/21/352742621.db2.gz ZDICPZYHQYXGFR-CBAPKCEASA-N 1 0 171.309 2.009 10 0 AEAERO C[C@@H]1C[C@@]1(C)[NH2+][C@@H]1C=CCCC1 575573685 352742628 /nfs/dbraw/zinc/74/26/28/352742628.db2.gz XORRCOOGFIKCCV-GMTAPVOTSA-N 1 0 165.280 2.483 10 0 AEAERO CC1(C)C[NH2+][C@H]1c1cncc(Cl)c1 575573712 352742985 /nfs/dbraw/zinc/74/29/85/352742985.db2.gz XVQACWFFPXQHRC-VIFPVBQESA-N 1 0 196.681 2.406 10 0 AEAERO C[C@@H]1C[C@]([NH3+])(c2ccsc2)[C@@H](C)O1 575573734 352743054 /nfs/dbraw/zinc/74/30/54/352743054.db2.gz ZONJDUWZYNVJSD-NQMVMOMDSA-N 1 0 197.303 2.099 10 0 AEAERO C[C@@H]1O[C@H](C)C[C@@]1([NH3+])c1ccsc1 575573735 352743128 /nfs/dbraw/zinc/74/31/28/352743128.db2.gz ZONJDUWZYNVJSD-WEDXCCLWSA-N 1 0 197.303 2.099 10 0 AEAERO CC1(C)C[NH2+][C@@H]1c1cncc(Cl)c1 575573708 352743148 /nfs/dbraw/zinc/74/31/48/352743148.db2.gz XVQACWFFPXQHRC-SECBINFHSA-N 1 0 196.681 2.406 10 0 AEAERO C[C@@H]1C[C@@]([NH3+])(c2ccsc2)[C@@H](C)O1 575573733 352743199 /nfs/dbraw/zinc/74/31/99/352743199.db2.gz ZONJDUWZYNVJSD-MRTMQBJTSA-N 1 0 197.303 2.099 10 0 AEAERO C[C@@H]1O[C@H](C)C[C@]1([NH3+])c1ccsc1 575573711 352743238 /nfs/dbraw/zinc/74/32/38/352743238.db2.gz ZONJDUWZYNVJSD-KHQFGBGNSA-N 1 0 197.303 2.099 10 0 AEAERO CC[C@@H]([NH3+])C[C@H]1CC1(C)C 575573954 352743716 /nfs/dbraw/zinc/74/37/16/352743716.db2.gz DZCHKBWKKFBBNP-JGVFFNPUSA-N 1 0 141.258 2.160 10 0 AEAERO CCC(C)(C)C1(F)CC([NH3+])C1 575573859 352743730 /nfs/dbraw/zinc/74/37/30/352743730.db2.gz BWORYMDGYBZTFS-UHFFFAOYSA-N 1 0 159.248 2.252 10 0 AEAERO CC[C@H]([NH3+])C[C@@H]1CC1(C)C 575573955 352743734 /nfs/dbraw/zinc/74/37/34/352743734.db2.gz DZCHKBWKKFBBNP-SFYZADRCSA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@@H]([NH3+])C[C@@H]1CC1(C)C 575573953 352743747 /nfs/dbraw/zinc/74/37/47/352743747.db2.gz DZCHKBWKKFBBNP-HTQZYQBOSA-N 1 0 141.258 2.160 10 0 AEAERO C/C(=C\c1ccnc(C)c1)[C@H](C)[NH3+] 575573908 352743779 /nfs/dbraw/zinc/74/37/79/352743779.db2.gz ZYAPHJDVBADRFC-PCGIRMHASA-N 1 0 176.263 2.141 10 0 AEAERO CC[C@H]([NH3+])C[C@H]1CC1(C)C 575573957 352743790 /nfs/dbraw/zinc/74/37/90/352743790.db2.gz DZCHKBWKKFBBNP-YUMQZZPRSA-N 1 0 141.258 2.160 10 0 AEAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1ccns1 575573887 352743846 /nfs/dbraw/zinc/74/38/46/352743846.db2.gz ZQMFPVHCTPCYHB-BWVDBABLSA-N 1 0 182.292 2.189 10 0 AEAERO C/C(=C\c1ccnc(C)c1)[C@@H](C)[NH3+] 575573909 352743862 /nfs/dbraw/zinc/74/38/62/352743862.db2.gz ZYAPHJDVBADRFC-QEHWCHDUSA-N 1 0 176.263 2.141 10 0 AEAERO C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1ccns1 575573889 352743883 /nfs/dbraw/zinc/74/38/83/352743883.db2.gz ZQMFPVHCTPCYHB-VDAHYXPESA-N 1 0 182.292 2.189 10 0 AEAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1ccns1 575573888 352743943 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Cc1cc(N[C@@]2(C)C[C@@H]2C)cc[nH+]1 575578198 352765945 /nfs/dbraw/zinc/76/59/45/352765945.db2.gz HAFWIAPWPOIWMB-KWQFWETISA-N 1 0 176.263 2.022 10 0 AEAERO C[C@H]1CC[C@]([NH3+])(C2CCCC2)CO1 575578248 352765960 /nfs/dbraw/zinc/76/59/60/352765960.db2.gz HIYNMCAFKBYKKE-GXSJLCMTSA-N 1 0 183.295 2.073 10 0 AEAERO CC(C)[C@@H](C)[C@]1([NH3+])COCC1(C)C 575578187 352765975 /nfs/dbraw/zinc/76/59/75/352765975.db2.gz SPRKGAINYDYZQH-MWLCHTKSSA-N 1 0 185.311 2.032 10 0 AEAERO CC(C)[C@H](C)[C@@]1([NH3+])COCC1(C)C 575578188 352766075 /nfs/dbraw/zinc/76/60/75/352766075.db2.gz SPRKGAINYDYZQH-ONGXEEELSA-N 1 0 185.311 2.032 10 0 AEAERO Cc1cc(N[C@@]2(C)C[C@H]2C)cc[nH+]1 575578195 352766114 /nfs/dbraw/zinc/76/61/14/352766114.db2.gz HAFWIAPWPOIWMB-KCJUWKMLSA-N 1 0 176.263 2.022 10 0 AEAERO CC(C)[C@H](C)[C@]1([NH3+])COCC1(C)C 575578185 352766118 /nfs/dbraw/zinc/76/61/18/352766118.db2.gz SPRKGAINYDYZQH-GXSJLCMTSA-N 1 0 185.311 2.032 10 0 AEAERO Cc1c[nH+]c(N[C@@H](C)CF)c(C)c1 575578124 352766139 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575581287 352782216 /nfs/dbraw/zinc/78/22/16/352782216.db2.gz NJGPISVYPHWEFS-IWSPIJDZSA-N 1 0 185.336 2.474 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C)[C@@H]1[C@@H]1CC1(C)C 575581339 352782233 /nfs/dbraw/zinc/78/22/33/352782233.db2.gz NWKULKWMWUXNTE-DOLQZWNJSA-N 1 0 167.296 2.277 10 0 AEAERO C[C@@H]1C[NH2+][C@H](C)[C@H]1[C@H]1CC1(C)C 575581341 352782286 /nfs/dbraw/zinc/78/22/86/352782286.db2.gz NWKULKWMWUXNTE-KYXWUPHJSA-N 1 0 167.296 2.277 10 0 AEAERO CC[C@@H]1[NH2+]CC[C@@H]1[C@@H]1CC12CC2 575581392 352782304 /nfs/dbraw/zinc/78/23/04/352782304.db2.gz PDZSKWHUMRXFGB-UTLUCORTSA-N 1 0 165.280 2.175 10 0 AEAERO CC(C)[C@@H]1C[NH2+][C@@H]1[C@H]1CC1(C)C 575581271 352782317 /nfs/dbraw/zinc/78/23/17/352782317.db2.gz NEOLFUCJIBHDSY-AEJSXWLSSA-N 1 0 167.296 2.277 10 0 AEAERO CC[C@@H]1[NH2+]C[C@H](C)[C@@H]1[C@H]1C[C@H]1C 575581479 352782690 /nfs/dbraw/zinc/78/26/90/352782690.db2.gz RKPSXNFJPGOCGT-ORMBPQIASA-N 1 0 167.296 2.277 10 0 AEAERO CC1(C)CS[C@H]([C@@H]2CC2(C)C)[NH2+]1 575581464 352782605 /nfs/dbraw/zinc/78/26/05/352782605.db2.gz RBMBGXXDKHPUEU-JGVFFNPUSA-N 1 0 185.336 2.474 10 0 AEAERO C[C@@H]1C[NH2+][C@H]([C@H]2CC23CC3)SC1 575581526 352782654 /nfs/dbraw/zinc/78/26/54/352782654.db2.gz SDVDWORUFFGGGT-HLTSFMKQSA-N 1 0 183.320 2.085 10 0 AEAERO CC1(C)CS[C@H]([C@H]2CC2(C)C)[NH2+]1 575581463 352782695 /nfs/dbraw/zinc/78/26/95/352782695.db2.gz RBMBGXXDKHPUEU-HTQZYQBOSA-N 1 0 185.336 2.474 10 0 AEAERO CC1(C)C[C@@H]1[C@H]1[NH2+]CC1(C)C 575581455 352782698 /nfs/dbraw/zinc/78/26/98/352782698.db2.gz QZUIGBFESCGMDS-HTQZYQBOSA-N 1 0 153.269 2.031 10 0 AEAERO CC[C@@H]1[NH2+]C[C@H](C)[C@@H]1[C@@H]1C[C@@H]1C 575581480 352782700 /nfs/dbraw/zinc/78/27/00/352782700.db2.gz RKPSXNFJPGOCGT-QUARPLMYSA-N 1 0 167.296 2.277 10 0 AEAERO CC1(C)C[C@@H]1[C@@H]1[NH2+]CC1(C)C 575581457 352782735 /nfs/dbraw/zinc/78/27/35/352782735.db2.gz QZUIGBFESCGMDS-SFYZADRCSA-N 1 0 153.269 2.031 10 0 AEAERO CC[C@@H]1[NH2+]C[C@H](C)[C@@H]1[C@H]1C[C@@H]1C 575581477 352782759 /nfs/dbraw/zinc/78/27/59/352782759.db2.gz RKPSXNFJPGOCGT-AJBSGBCOSA-N 1 0 167.296 2.277 10 0 AEAERO CC1(C)C[NH2+][C@H]1[C@@H]1CC1(C)C 575581458 352782768 /nfs/dbraw/zinc/78/27/68/352782768.db2.gz QZUIGBFESCGMDS-YUMQZZPRSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CC23CC3)SC1 575581528 352783030 /nfs/dbraw/zinc/78/30/30/352783030.db2.gz SDVDWORUFFGGGT-IWSPIJDZSA-N 1 0 183.320 2.085 10 0 AEAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CC23CC3)SC1 575581529 352782901 /nfs/dbraw/zinc/78/29/01/352782901.db2.gz SDVDWORUFFGGGT-VGMNWLOBSA-N 1 0 183.320 2.085 10 0 AEAERO CC1(C)CS[C@@H]([C@@H]2CC2(C)C)[NH2+]1 575581466 352782907 /nfs/dbraw/zinc/78/29/07/352782907.db2.gz RBMBGXXDKHPUEU-YUMQZZPRSA-N 1 0 185.336 2.474 10 0 AEAERO CC[C@@H]1[NH2+]C[C@H](C)[C@@H]1[C@@H]1C[C@H]1C 575581478 352782946 /nfs/dbraw/zinc/78/29/46/352782946.db2.gz RKPSXNFJPGOCGT-NZHYYXIDSA-N 1 0 167.296 2.277 10 0 AEAERO CC1(C)CS[C@@H]([C@H]2CC2(C)C)[NH2+]1 575581465 352782991 /nfs/dbraw/zinc/78/29/91/352782991.db2.gz RBMBGXXDKHPUEU-SFYZADRCSA-N 1 0 185.336 2.474 10 0 AEAERO CC1(C)C[C@H]1[C@H]1[NH2+]CC1(C)C 575581456 352783010 /nfs/dbraw/zinc/78/30/10/352783010.db2.gz QZUIGBFESCGMDS-JGVFFNPUSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1C[NH2+][C@@H]([C@@H]2CC23CC3)SC1 575581527 352783037 /nfs/dbraw/zinc/78/30/37/352783037.db2.gz SDVDWORUFFGGGT-HRDYMLBCSA-N 1 0 183.320 2.085 10 0 AEAERO CC[C@@H]1[NH2+]CC[C@@H]1[C@@H]1C[C@@H]1C 575581617 352783266 /nfs/dbraw/zinc/78/32/66/352783266.db2.gz URKFJDJZYHZCFF-JLIMGVALSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@H]1[C@H]1C[C@H]1C 575581681 352783276 /nfs/dbraw/zinc/78/32/76/352783276.db2.gz VPAKYZLMHRUAJC-DOLQZWNJSA-N 1 0 167.296 2.277 10 0 AEAERO CC[C@@H]1CS[C@H]([C@@H]2C[C@H]2C)[NH2+]1 575581582 352783278 /nfs/dbraw/zinc/78/32/78/352783278.db2.gz SXJKJZWVVAUMFN-FNCVBFRFSA-N 1 0 171.309 2.084 10 0 AEAERO CC[C@@H]1CS[C@H]([C@@H]2C[C@@H]2C)[NH2+]1 575581583 352783303 /nfs/dbraw/zinc/78/33/03/352783303.db2.gz SXJKJZWVVAUMFN-JQCXWYLXSA-N 1 0 171.309 2.084 10 0 AEAERO Cc1csc([C@H]([NH3+])[C@H]2C[C@@H]2C)n1 575581651 352783313 /nfs/dbraw/zinc/78/33/13/352783313.db2.gz UXCLFGKDNZVHKY-APQOSEDMSA-N 1 0 182.292 2.107 10 0 AEAERO Cc1csc([C@H]([NH3+])[C@H]2C[C@H]2C)n1 575581653 352783327 /nfs/dbraw/zinc/78/33/27/352783327.db2.gz UXCLFGKDNZVHKY-MHSYXAOVSA-N 1 0 182.292 2.107 10 0 AEAERO CC1(C)C[C@@H]1C1CC[NH2+]CC1 575581578 352783340 /nfs/dbraw/zinc/78/33/40/352783340.db2.gz SWOGGIDJMKHIBL-SECBINFHSA-N 1 0 153.269 2.032 10 0 AEAERO C[NH2+][C@@H](C)/C=C/[C@H]1CC1(C)C 575581567 352783364 /nfs/dbraw/zinc/78/33/64/352783364.db2.gz SUAGLICDXHSQRE-MUNZNRDXSA-N 1 0 153.269 2.197 10 0 AEAERO C[C@@H]1C[C@@H]1[C@@H]1[C@@H](C)C[NH2+]C1(C)C 575581683 352783367 /nfs/dbraw/zinc/78/33/67/352783367.db2.gz VPAKYZLMHRUAJC-KATARQTJSA-N 1 0 167.296 2.277 10 0 AEAERO C/C(=C/[C@@H]1CC1(C)C)[C@H](C)[NH3+] 575581598 352783412 /nfs/dbraw/zinc/78/34/12/352783412.db2.gz TWYHDPKVMWLYBG-QRJDUPJOSA-N 1 0 153.269 2.326 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@@H]1[C@H]1C[C@H]1C 575581682 352783415 /nfs/dbraw/zinc/78/34/15/352783415.db2.gz VPAKYZLMHRUAJC-IMSYWVGJSA-N 1 0 167.296 2.277 10 0 AEAERO CC[C@@H]1[NH2+]CC[C@@H]1[C@@H]1C[C@H]1C 575581645 352783419 /nfs/dbraw/zinc/78/34/19/352783419.db2.gz URKFJDJZYHZCFF-KYXWUPHJSA-N 1 0 153.269 2.031 10 0 AEAERO CC1(C)C[C@H]1C1CC[NH2+]CC1 575581579 352783422 /nfs/dbraw/zinc/78/34/22/352783422.db2.gz SWOGGIDJMKHIBL-VIFPVBQESA-N 1 0 153.269 2.032 10 0 AEAERO C[NH2+][C@@H](C)/C=C/[C@@H]1CC1(C)C 575581569 352783436 /nfs/dbraw/zinc/78/34/36/352783436.db2.gz SUAGLICDXHSQRE-VFPASMGPSA-N 1 0 153.269 2.197 10 0 AEAERO CC[C@@H]1CS[C@H]([C@H]2C[C@H]2C)[NH2+]1 575581584 352783453 /nfs/dbraw/zinc/78/34/53/352783453.db2.gz SXJKJZWVVAUMFN-LURQLKTLSA-N 1 0 171.309 2.084 10 0 AEAERO C[C@@H]1C[NH2+][C@@H]([C@@H]2CC2(C)C)S1 575581690 352783494 /nfs/dbraw/zinc/78/34/94/352783494.db2.gz VRXMVQTVSULLFE-GJMOJQLCSA-N 1 0 171.309 2.084 10 0 AEAERO CC[C@@H]1[NH2+]CC[C@@H]1[C@H]1C[C@@H]1C 575581618 352783552 /nfs/dbraw/zinc/78/35/52/352783552.db2.gz URKFJDJZYHZCFF-JXUBOQSCSA-N 1 0 153.269 2.031 10 0 AEAERO C[NH2+][C@H](C)/C=C/[C@H]1CC1(C)C 575581568 352783576 /nfs/dbraw/zinc/78/35/76/352783576.db2.gz SUAGLICDXHSQRE-RKWMXMRGSA-N 1 0 153.269 2.197 10 0 AEAERO Cc1csc([C@H]([NH3+])[C@@H]2C[C@@H]2C)n1 575581654 352783593 /nfs/dbraw/zinc/78/35/93/352783593.db2.gz UXCLFGKDNZVHKY-UIISKDMLSA-N 1 0 182.292 2.107 10 0 AEAERO CC[C@@H]1[NH2+]CC[C@@H]1[C@H]1C[C@H]1C 575581616 352783600 /nfs/dbraw/zinc/78/36/00/352783600.db2.gz URKFJDJZYHZCFF-IMSYWVGJSA-N 1 0 153.269 2.031 10 0 AEAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CC2(C)C)S1 575581688 352783604 /nfs/dbraw/zinc/78/36/04/352783604.db2.gz VRXMVQTVSULLFE-BWZBUEFSSA-N 1 0 171.309 2.084 10 0 AEAERO C[C@@H]1C[C@@H]1[C@H]1[C@@H](C)C[NH2+]C1(C)C 575581684 352783608 /nfs/dbraw/zinc/78/36/08/352783608.db2.gz VPAKYZLMHRUAJC-XFWSIPNHSA-N 1 0 167.296 2.277 10 0 AEAERO C/C(=C\[C@@H]1CC1(C)C)[C@H](C)[NH3+] 575581596 352783647 /nfs/dbraw/zinc/78/36/47/352783647.db2.gz TWYHDPKVMWLYBG-KSOOHAFHSA-N 1 0 153.269 2.326 10 0 AEAERO CC[C@@H]1CS[C@H]([C@H]2C[C@@H]2C)[NH2+]1 575581585 352783673 /nfs/dbraw/zinc/78/36/73/352783673.db2.gz SXJKJZWVVAUMFN-UYXSQOIJSA-N 1 0 171.309 2.084 10 0 AEAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CC2(C)C)S1 575581689 352783700 /nfs/dbraw/zinc/78/37/00/352783700.db2.gz VRXMVQTVSULLFE-CSMHCCOUSA-N 1 0 171.309 2.084 10 0 AEAERO C/C(=C\[C@@H]1CC1(C)C)[C@@H](C)[NH3+] 575581597 352783719 /nfs/dbraw/zinc/78/37/19/352783719.db2.gz TWYHDPKVMWLYBG-LKJMDQPVSA-N 1 0 153.269 2.326 10 0 AEAERO C[NH2+][C@H](C)/C=C/[C@@H]1CC1(C)C 575581566 352783726 /nfs/dbraw/zinc/78/37/26/352783726.db2.gz SUAGLICDXHSQRE-JKKBLNIGSA-N 1 0 153.269 2.197 10 0 AEAERO C/C(=C/[C@@H]1CC1(C)C)[C@@H](C)[NH3+] 575581599 352783740 /nfs/dbraw/zinc/78/37/40/352783740.db2.gz TWYHDPKVMWLYBG-XOPPAYCJSA-N 1 0 153.269 2.326 10 0 AEAERO Cc1csc([C@H]([NH3+])[C@@H]2C[C@H]2C)n1 575581652 352783744 /nfs/dbraw/zinc/78/37/44/352783744.db2.gz UXCLFGKDNZVHKY-LPBLVHEISA-N 1 0 182.292 2.107 10 0 AEAERO C[C@@H]1C[NH2+][C@H]([C@H]2CC2(C)C)S1 575581691 352783758 /nfs/dbraw/zinc/78/37/58/352783758.db2.gz VRXMVQTVSULLFE-PRJMDXOYSA-N 1 0 171.309 2.084 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@@H]1[C@H]1CC12CC2 575581825 352784232 /nfs/dbraw/zinc/78/42/32/352784232.db2.gz YMAKIHFBRXCYKB-BBBLOLIVSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@H]1[C@H]1CC12CC2 575581827 352784337 /nfs/dbraw/zinc/78/43/37/352784337.db2.gz YMAKIHFBRXCYKB-OPRDCNLKSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@H]1[C@@H]1CC12CC2 575581826 352784480 /nfs/dbraw/zinc/78/44/80/352784480.db2.gz YMAKIHFBRXCYKB-KXUCPTDWSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[NH2+]C(C)(C)[C@@H]1[C@@H]1CC12CC2 575581830 352784497 /nfs/dbraw/zinc/78/44/97/352784497.db2.gz YMAKIHFBRXCYKB-UTLUCORTSA-N 1 0 179.307 2.421 10 0 AEAERO CC1(C)C([C@@H]2CSCC[NH2+]2)C1(C)C 575581976 352784801 /nfs/dbraw/zinc/78/48/01/352784801.db2.gz ZPWMOSTUCXCKFD-QMMMGPOBSA-N 1 0 199.363 2.374 10 0 AEAERO CC1(C)C([C@H]2CSCC[NH2+]2)C1(C)C 575581915 352784881 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/nfs/dbraw/zinc/89/16/75/371891675.db2.gz JPBOVROOEPVETA-JTQLQIEISA-N 1 0 199.338 2.173 10 0 AEAERO CC1(CC[NH2+]C[C@@H](O)C(C)(C)C)CC1 644635435 371891836 /nfs/dbraw/zinc/89/18/36/371891836.db2.gz JPBOVROOEPVETA-SNVBAGLBSA-N 1 0 199.338 2.173 10 0 AEAERO CC1CCC(C)(C[NH2+]C[C@@H](C)O)CC1 644636343 371891911 /nfs/dbraw/zinc/89/19/11/371891911.db2.gz CTDYQBNLMHBVGT-MOENNCHZSA-N 1 0 199.338 2.173 10 0 AEAERO CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[C@H]1C 644646615 371892536 /nfs/dbraw/zinc/89/25/36/371892536.db2.gz DHXINJXTZMTYAD-GRYCIOLGSA-N 1 0 199.338 2.172 10 0 AEAERO CC(C)CC[C@H](O)C[NH2+][C@H]1CC[C@@H]1C 644646617 371892575 /nfs/dbraw/zinc/89/25/75/371892575.db2.gz DHXINJXTZMTYAD-SRVKXCTJSA-N 1 0 199.338 2.172 10 0 AEAERO CC(C)CC[C@H](O)C[NH2+][C@H]1CC[C@H]1C 644646618 371892617 /nfs/dbraw/zinc/89/26/17/371892617.db2.gz DHXINJXTZMTYAD-WOPDTQHZSA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@@H](O)C[NH2+][C@H]1CC[C@H](CC)CC1 644653688 371892732 /nfs/dbraw/zinc/89/27/32/371892732.db2.gz OFAMLXWHEPFQAA-IJLUTSLNSA-N 1 0 199.338 2.316 10 0 AEAERO CC[C@H](O)C[NH2+]C1CC(C(C)(C)C)C1 644654350 371892856 /nfs/dbraw/zinc/89/28/56/371892856.db2.gz FLBPEEUOKYPUIA-ILDUYXDCSA-N 1 0 199.338 2.172 10 0 AEAERO CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]1C 644646616 371892932 /nfs/dbraw/zinc/89/29/32/371892932.db2.gz DHXINJXTZMTYAD-SDDRHHMPSA-N 1 0 199.338 2.172 10 0 AEAERO CC[C@H](O)C[NH2+][C@H]1CC[C@H](CC)CC1 644653693 371893205 /nfs/dbraw/zinc/89/32/05/371893205.db2.gz OFAMLXWHEPFQAA-SRVKXCTJSA-N 1 0 199.338 2.316 10 0 AEAERO CC[C@@H](O)C[NH2+]C1CC(C(C)(C)C)C1 644654351 371893381 /nfs/dbraw/zinc/89/33/81/371893381.db2.gz FLBPEEUOKYPUIA-VQXHTEKXSA-N 1 0 199.338 2.172 10 0 AEAERO CC/C=C/C[NH2+]C[C@H](O)CCC(C)C 644657853 371894007 /nfs/dbraw/zinc/89/40/07/371894007.db2.gz DMAGEBIYLNYNTM-BTDICHCPSA-N 1 0 199.338 2.339 10 0 AEAERO CCC[N@H+](CC)Cc1cc(C)ncn1 644660962 371894064 /nfs/dbraw/zinc/89/40/64/371894064.db2.gz ZPLGMDJCTOWTEJ-UHFFFAOYSA-N 1 0 193.294 2.017 10 0 AEAERO CC[NH+](CC)[C@@H](C)c1cnc(C)cn1 644656661 371894115 /nfs/dbraw/zinc/89/41/15/371894115.db2.gz SAZHCZAMFUFSIX-JTQLQIEISA-N 1 0 193.294 2.188 10 0 AEAERO CC[NH+](CC)[C@H](C)c1cnc(C)cn1 644656664 371894283 /nfs/dbraw/zinc/89/42/83/371894283.db2.gz SAZHCZAMFUFSIX-SNVBAGLBSA-N 1 0 193.294 2.188 10 0 AEAERO CCCC[N@H+](C)Cc1cc(C)ncn1 644655186 371894351 /nfs/dbraw/zinc/89/43/51/371894351.db2.gz QBRYMXVUXZITAF-UHFFFAOYSA-N 1 0 193.294 2.017 10 0 AEAERO CC/C=C\C[NH2+]C[C@@H](O)CCC(C)C 644657854 371894381 /nfs/dbraw/zinc/89/43/81/371894381.db2.gz DMAGEBIYLNYNTM-FJOGCWAESA-N 1 0 199.338 2.339 10 0 AEAERO CC/C=C\C[NH2+]C[C@H](O)CCC(C)C 644657855 371894640 /nfs/dbraw/zinc/89/46/40/371894640.db2.gz DMAGEBIYLNYNTM-FOQNGQEVSA-N 1 0 199.338 2.339 10 0 AEAERO CC/C=C/C[NH2+]C[C@@H](O)CCC(C)C 644657856 371895279 /nfs/dbraw/zinc/89/52/79/371895279.db2.gz DMAGEBIYLNYNTM-FYJFLYSWSA-N 1 0 199.338 2.339 10 0 AEAERO CCC[N@H+](C)[C@@H](C)c1cnc(C)cn1 644661600 371896099 /nfs/dbraw/zinc/89/60/99/371896099.db2.gz HAVFCVDAMCEAQJ-JTQLQIEISA-N 1 0 193.294 2.188 10 0 AEAERO CCC[N@H+](C)[C@H](C)c1cnc(C)cn1 644661601 371896383 /nfs/dbraw/zinc/89/63/83/371896383.db2.gz HAVFCVDAMCEAQJ-SNVBAGLBSA-N 1 0 193.294 2.188 10 0 AEAERO CC[C@H](C)[N@H+](C)Cc1cc(C)ncn1 644676108 371898003 /nfs/dbraw/zinc/89/80/03/371898003.db2.gz BORGJCPOUIACTB-JTQLQIEISA-N 1 0 193.294 2.015 10 0 AEAERO CC[C@@H](C)[N@H+](C)Cc1cc(C)ncn1 644676109 371899552 /nfs/dbraw/zinc/89/95/52/371899552.db2.gz BORGJCPOUIACTB-SNVBAGLBSA-N 1 0 193.294 2.015 10 0 AEAERO CC(C)C[C@H](C)C[N@@H+]1CCO[C@H]2C[C@H]21 644717097 371902417 /nfs/dbraw/zinc/90/24/17/371902417.db2.gz ABVMHPOXEAOBRL-TUAOUCFPSA-N 1 0 197.322 2.142 10 0 AEAERO CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]21 644717095 371902794 /nfs/dbraw/zinc/90/27/94/371902794.db2.gz ABVMHPOXEAOBRL-SDDRHHMPSA-N 1 0 197.322 2.142 10 0 AEAERO C1CCC(C[N@@H+]2CCO[C@H]3C[C@H]32)CC1 644716459 371902819 /nfs/dbraw/zinc/90/28/19/371902819.db2.gz SNUKGDBIRXLSEM-NEPJUHHUSA-N 1 0 195.306 2.040 10 0 AEAERO C1CCC(C[N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 644716462 371903053 /nfs/dbraw/zinc/90/30/53/371903053.db2.gz SNUKGDBIRXLSEM-NWDGAFQWSA-N 1 0 195.306 2.040 10 0 AEAERO CC[C@H]1CC[N@@H+]1C[C@@H](O)CCC(C)C 644786294 371907040 /nfs/dbraw/zinc/90/70/40/371907040.db2.gz OCLKZTROJJFDEU-RYUDHWBXSA-N 1 0 199.338 2.268 10 0 AEAERO CC[C@@H]1CC[N@@H+]1C[C@@H](O)CCC(C)C 644786292 371907311 /nfs/dbraw/zinc/90/73/11/371907311.db2.gz OCLKZTROJJFDEU-NEPJUHHUSA-N 1 0 199.338 2.268 10 0 AEAERO CCOCC[NH+](C1CCC1)C1CCC1 644784888 371907669 /nfs/dbraw/zinc/90/76/69/371907669.db2.gz IEXQQWSFJZCUCF-UHFFFAOYSA-N 1 0 197.322 2.430 10 0 AEAERO COCCC[NH+](C1CCC1)C1CCC1 644784872 371907987 /nfs/dbraw/zinc/90/79/87/371907987.db2.gz AYAPAGLOOWNYOL-UHFFFAOYSA-N 1 0 197.322 2.430 10 0 AEAERO CC[C@@H]1CC[N@@H+]1C[C@H](O)CCC(C)C 644786295 371908312 /nfs/dbraw/zinc/90/83/12/371908312.db2.gz OCLKZTROJJFDEU-VXGBXAGGSA-N 1 0 199.338 2.268 10 0 AEAERO CC[C@H]1CC[N@@H+]1C[C@H](O)CCC(C)C 644786293 371908384 /nfs/dbraw/zinc/90/83/84/371908384.db2.gz OCLKZTROJJFDEU-NWDGAFQWSA-N 1 0 199.338 2.268 10 0 AEAERO CCOC1CC(C[N@@H+]2CC[C@H]2CC)C1 644786410 371909079 /nfs/dbraw/zinc/90/90/79/371909079.db2.gz MWYMEOSWROQTQR-MOENNCHZSA-N 1 0 197.322 2.286 10 0 AEAERO CCOC1CC(C[N@@H+]2CC[C@@H]2CC)C1 644786409 371909150 /nfs/dbraw/zinc/90/91/50/371909150.db2.gz MWYMEOSWROQTQR-CXQJBGSLSA-N 1 0 197.322 2.286 10 0 AEAERO CC[C@@H]1CC[N@@H+]1CC1(COC)CCC1 644786830 371909625 /nfs/dbraw/zinc/90/96/25/371909625.db2.gz ROMDFQKEMBEZKH-LLVKDONJSA-N 1 0 197.322 2.287 10 0 AEAERO CC[C@H]1CC[N@@H+]1Cc1oc(C)nc1C 644786811 371910111 /nfs/dbraw/zinc/91/01/11/371910111.db2.gz OARPUXXILHEKKP-JTQLQIEISA-N 1 0 194.278 2.276 10 0 AEAERO CC[C@@H]1CC[N@@H+]1Cc1oc(C)nc1C 644786815 371910810 /nfs/dbraw/zinc/91/08/10/371910810.db2.gz OARPUXXILHEKKP-SNVBAGLBSA-N 1 0 194.278 2.276 10 0 AEAERO CC[C@H]1CC[N@@H+]1CC1(COC)CCC1 644786836 371910903 /nfs/dbraw/zinc/91/09/03/371910903.db2.gz ROMDFQKEMBEZKH-NSHDSACASA-N 1 0 197.322 2.287 10 0 AEAERO CC[C@H]1CC[N@@H+]1CC1(OC)CCCC1 644843481 371921162 /nfs/dbraw/zinc/92/11/62/371921162.db2.gz UGCOTXCEPYFBHS-NSHDSACASA-N 1 0 197.322 2.430 10 0 AEAERO CC[C@@H]1CC[N@@H+]1CC1(OC)CCCC1 644843480 371921651 /nfs/dbraw/zinc/92/16/51/371921651.db2.gz UGCOTXCEPYFBHS-LLVKDONJSA-N 1 0 197.322 2.430 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]1C1CCC1 644904755 371926702 /nfs/dbraw/zinc/92/67/02/371926702.db2.gz AYEHPBZAQCLXEQ-KXGXSXBTSA-N 1 0 179.307 2.421 10 0 AEAERO COC[C@H](C)C[NH2+][C@@H]1C[C@H]1C1CCC1 644904840 371926739 /nfs/dbraw/zinc/92/67/39/371926739.db2.gz UNZSJAQDJGUJDN-ADEWGFFLSA-N 1 0 197.322 2.047 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 644908422 371927039 /nfs/dbraw/zinc/92/70/39/371927039.db2.gz BUSIGNVIICXAJE-KAMPLNKDSA-N 1 0 165.280 2.031 10 0 AEAERO CC1(C[NH+]2CC(CC(F)F)C2)CC1 644906873 371927130 /nfs/dbraw/zinc/92/71/30/371927130.db2.gz XEUPSNMPMWOWHL-UHFFFAOYSA-N 1 0 189.249 2.374 10 0 AEAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]1C1CCC1 644904758 371927153 /nfs/dbraw/zinc/92/71/53/371927153.db2.gz AYEHPBZAQCLXEQ-NUGNTBJXSA-N 1 0 179.307 2.421 10 0 AEAERO CC(C)OC1CC([NH2+][C@H]2CC23CC3)C1 644904770 371927356 /nfs/dbraw/zinc/92/73/56/371927356.db2.gz HOOWYKGVXOYWOX-ILDUYXDCSA-N 1 0 195.306 2.085 10 0 AEAERO C[C@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]1C1CCC1 644904760 371927508 /nfs/dbraw/zinc/92/75/08/371927508.db2.gz AYEHPBZAQCLXEQ-ZDDJMSTPSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]1C1CCC1 644904759 371927534 /nfs/dbraw/zinc/92/75/34/371927534.db2.gz AYEHPBZAQCLXEQ-PDEGPIFNSA-N 1 0 179.307 2.421 10 0 AEAERO COC[C@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 644906121 371927551 /nfs/dbraw/zinc/92/75/51/371927551.db2.gz UMGJCNJAUFXLIG-IJLUTSLNSA-N 1 0 199.338 2.389 10 0 AEAERO COC[C@@H](C)C[NH2+][C@@H]1C[C@H]1C1CCC1 644904842 371927607 /nfs/dbraw/zinc/92/76/07/371927607.db2.gz UNZSJAQDJGUJDN-ZMLRMANQSA-N 1 0 197.322 2.047 10 0 AEAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 644908424 371927685 /nfs/dbraw/zinc/92/76/85/371927685.db2.gz BUSIGNVIICXAJE-SAVGLBRCSA-N 1 0 165.280 2.031 10 0 AEAERO CC(C)OC1CC([NH2+][C@@H]2CC23CC3)C1 644904771 371927692 /nfs/dbraw/zinc/92/76/92/371927692.db2.gz HOOWYKGVXOYWOX-VQXHTEKXSA-N 1 0 195.306 2.085 10 0 AEAERO COC[C@@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 644906119 371927731 /nfs/dbraw/zinc/92/77/31/371927731.db2.gz UMGJCNJAUFXLIG-GRYCIOLGSA-N 1 0 199.338 2.389 10 0 AEAERO C1CC([C@@H]2C[C@H]2C[NH2+]C2CSC2)C1 644904995 371927755 /nfs/dbraw/zinc/92/77/55/371927755.db2.gz CVOBTCDLTKHWMD-ONGXEEELSA-N 1 0 197.347 2.128 10 0 AEAERO CO[C@H](C[N@H+]1CC=C(C)CC1)C1CC1 644928014 371930709 /nfs/dbraw/zinc/93/07/09/371930709.db2.gz ALLGFMAXQSTUKX-GFCCVEGCSA-N 1 0 195.306 2.063 10 0 AEAERO CO[C@@H](C[N@H+]1CC=C(C)CC1)C1CC1 644928015 371931130 /nfs/dbraw/zinc/93/11/30/371931130.db2.gz ALLGFMAXQSTUKX-LBPRGKRZSA-N 1 0 195.306 2.063 10 0 AEAERO c1cnc2c(c1)C[N@@H+](CC1CCC1)C2 644933687 371932081 /nfs/dbraw/zinc/93/20/81/371932081.db2.gz KFRQFMKGNXEJFG-UHFFFAOYSA-N 1 0 188.274 2.197 10 0 AEAERO CO[C@@H](C[N@@H+]1CCC=C(C)C1)C1CC1 644932766 371932631 /nfs/dbraw/zinc/93/26/31/371932631.db2.gz DCOCIKKRTIIODH-LBPRGKRZSA-N 1 0 195.306 2.063 10 0 AEAERO CO[C@H](C[N@@H+]1CCC=C(C)C1)C1CC1 644932765 371932720 /nfs/dbraw/zinc/93/27/20/371932720.db2.gz DCOCIKKRTIIODH-GFCCVEGCSA-N 1 0 195.306 2.063 10 0 AEAERO c1cnc2c(c1)C[N@@H+](C1CCCC1)C2 644933256 371932759 /nfs/dbraw/zinc/93/27/59/371932759.db2.gz FCVXBMHEZBEQDB-UHFFFAOYSA-N 1 0 188.274 2.340 10 0 AEAERO C[C@@H]1CC[N@H+](C[C@H]2CCOC2)[C@H](C)C1 644951161 371935801 /nfs/dbraw/zinc/93/58/01/371935801.db2.gz DHWIPXGIDYFFHB-IJLUTSLNSA-N 1 0 197.322 2.143 10 0 AEAERO CO[C@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 644951139 371936111 /nfs/dbraw/zinc/93/61/11/371936111.db2.gz BFLUDSRUNCLYTJ-GMTAPVOTSA-N 1 0 185.311 2.142 10 0 AEAERO CO[C@@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 644951141 371936510 /nfs/dbraw/zinc/93/65/10/371936510.db2.gz BFLUDSRUNCLYTJ-MXWKQRLJSA-N 1 0 185.311 2.142 10 0 AEAERO 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/nfs/dbraw/zinc/53/48/95/375534895.db2.gz FSOIXQUHIYZYJL-UHFFFAOYSA-N 1 0 182.292 2.033 10 0 AEAERO CCCCC[NH2+]Cc1ccns1 404513344 375534916 /nfs/dbraw/zinc/53/49/16/375534916.db2.gz SUPIUHSYCHBQSF-UHFFFAOYSA-N 1 0 184.308 2.423 10 0 AEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccns1 404502355 375535059 /nfs/dbraw/zinc/53/50/59/375535059.db2.gz YWTXGLQPRJRDSN-SCZZXKLOSA-N 1 0 196.319 2.421 10 0 AEAERO CCC1(C[NH2+]Cc2ccns2)CC1 404499488 375535090 /nfs/dbraw/zinc/53/50/90/375535090.db2.gz VZPZTEDHZFIOQO-UHFFFAOYSA-N 1 0 196.319 2.423 10 0 AEAERO C[C@@H](C[NH2+]Cc1ccns1)C1CC1 404496229 375535137 /nfs/dbraw/zinc/53/51/37/375535137.db2.gz RDTQPXATVSPKKX-QMMMGPOBSA-N 1 0 196.319 2.279 10 0 AEAERO CC1([NH2+]Cc2ccns2)CCC1 404512413 375535146 /nfs/dbraw/zinc/53/51/46/375535146.db2.gz ROOVXRKTELHQSY-UHFFFAOYSA-N 1 0 182.292 2.175 10 0 AEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccns1 404502357 375535314 /nfs/dbraw/zinc/53/53/14/375535314.db2.gz YWTXGLQPRJRDSN-WCBMZHEXSA-N 1 0 196.319 2.421 10 0 AEAERO CCC(C)(C)[NH2+]Cc1ccns1 404490548 375535399 /nfs/dbraw/zinc/53/53/99/375535399.db2.gz IEUALFXFXJECAC-UHFFFAOYSA-N 1 0 184.308 2.421 10 0 AEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccns1 404502353 375535485 /nfs/dbraw/zinc/53/54/85/375535485.db2.gz YWTXGLQPRJRDSN-PSASIEDQSA-N 1 0 196.319 2.421 10 0 AEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccns1 404502358 375535598 /nfs/dbraw/zinc/53/55/98/375535598.db2.gz YWTXGLQPRJRDSN-WPRPVWTQSA-N 1 0 196.319 2.421 10 0 AEAERO c1cc(C[NH2+]CC2CCC2)sn1 404512835 375535652 /nfs/dbraw/zinc/53/56/52/375535652.db2.gz SCNQJCMWTUMDBA-UHFFFAOYSA-N 1 0 182.292 2.033 10 0 AEAERO CC[N@H+](CCN)CCC(C)(C)C1CC1 405702913 375536047 /nfs/dbraw/zinc/53/60/47/375536047.db2.gz BIWJRMHETLQPQJ-UHFFFAOYSA-N 1 0 198.354 2.093 10 0 AEAERO C[C@H]1C[C@H](C)CC[C@]1(C)C[NH3+] 536953380 375545654 /nfs/dbraw/zinc/54/56/54/375545654.db2.gz JOBZKTIXQMVYJL-KXUCPTDWSA-N 1 0 155.285 2.408 10 0 AEAERO C1=C(CNc2cc[nH+]cc2)CCC1 575454359 375548660 /nfs/dbraw/zinc/54/86/60/375548660.db2.gz RBOAUINSTVSHSV-UHFFFAOYSA-N 1 0 174.247 2.026 10 0 AEAERO COC/C(C)=C1/CC[NH2+]C(C)(C)C1 575470521 375549297 /nfs/dbraw/zinc/54/92/97/375549297.db2.gz BDOJXDWQXUCAPT-KTKRTIGZSA-N 1 0 183.295 2.111 10 0 AEAERO CC(C)(C)[NH2+]C/C=C/Br 575470554 375549547 /nfs/dbraw/zinc/54/95/47/375549547.db2.gz KXBXUFLXRBZEPI-SNAWJCMRSA-N 1 0 192.100 2.283 10 0 AEAERO [NH3+]Cc1ccccc1-c1cncs1 575470511 375549641 /nfs/dbraw/zinc/54/96/41/375549641.db2.gz ZIAFFNWEHSKEBW-UHFFFAOYSA-N 1 0 190.271 2.269 10 0 AEAERO COC/C(C)=C1\CC[NH2+]C(C)(C)C1 575470523 375549721 /nfs/dbraw/zinc/54/97/21/375549721.db2.gz BDOJXDWQXUCAPT-MDZDMXLPSA-N 1 0 183.295 2.111 10 0 AEAERO CC(C)[N@@H+](CC1CCCC1)C[C@H](C)O 592976793 375562614 /nfs/dbraw/zinc/56/26/14/375562614.db2.gz KLZFGJUWDPQFGT-NSHDSACASA-N 1 0 199.338 2.268 10 0 AEAERO CC(C)[N@@H+](CC1CCCC1)C[C@@H](C)O 592976792 375562702 /nfs/dbraw/zinc/56/27/02/375562702.db2.gz KLZFGJUWDPQFGT-LLVKDONJSA-N 1 0 199.338 2.268 10 0 AEAERO COC[C@@H]1CC[N@@H+]1C[C@@H](C)C(C)(C)C 646235572 375585896 /nfs/dbraw/zinc/58/58/96/375585896.db2.gz RLKQYABNAQBKNO-MNOVXSKESA-N 1 0 199.338 2.389 10 0 AEAERO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCSC 610410713 375567444 /nfs/dbraw/zinc/56/74/44/375567444.db2.gz LGWLGCSRDLSYQO-NXEZZACHSA-N 1 0 187.352 2.470 10 0 AEAERO CSCC[N@@H+]1CC[C@@H](C2CC2)C1 611211271 375568149 /nfs/dbraw/zinc/56/81/49/375568149.db2.gz HPLFSADLTGUIBX-SNVBAGLBSA-N 1 0 185.336 2.081 10 0 AEAERO CSCC[N@@H+]1CC[C@H](C2CC2)C1 611211270 375568525 /nfs/dbraw/zinc/56/85/25/375568525.db2.gz HPLFSADLTGUIBX-JTQLQIEISA-N 1 0 185.336 2.081 10 0 AEAERO CC[NH2+]C1(c2ccccc2OC)CC1 646000312 375570293 /nfs/dbraw/zinc/57/02/93/375570293.db2.gz GFIMISHPGZYFMH-UHFFFAOYSA-N 1 0 191.274 2.294 10 0 AEAERO Cc1nocc1C[N@@H+](C)CC(C)C 646051197 375571630 /nfs/dbraw/zinc/57/16/30/375571630.db2.gz HRHSJCKDFFZMKC-UHFFFAOYSA-N 1 0 182.267 2.071 10 0 AEAERO Cc1nocc1C[N@@H+](C)CCC(C)C 646053129 375571662 /nfs/dbraw/zinc/57/16/62/375571662.db2.gz QHIAVBCKGYDRTN-UHFFFAOYSA-N 1 0 196.294 2.461 10 0 AEAERO CC[N@H+](C)Cc1cc(OC)ccc1F 646050217 375571681 /nfs/dbraw/zinc/57/16/81/375571681.db2.gz JVTPHEPKPUDIGG-UHFFFAOYSA-N 1 0 197.253 2.286 10 0 AEAERO Cc1nocc1C[N@@H+](C)[C@H](C)C(C)C 646053220 375571766 /nfs/dbraw/zinc/57/17/66/375571766.db2.gz FTMBCKIETBTPBF-SNVBAGLBSA-N 1 0 196.294 2.459 10 0 AEAERO CC[C@H](C)[N@H+](C)Cc1conc1C 646055251 375571856 /nfs/dbraw/zinc/57/18/56/375571856.db2.gz GNQGOXHSNREUDO-QMMMGPOBSA-N 1 0 182.267 2.213 10 0 AEAERO CC[N@@H+](Cc1conc1C)CC(C)C 646054536 375571892 /nfs/dbraw/zinc/57/18/92/375571892.db2.gz OWRAPBBTMALOBZ-UHFFFAOYSA-N 1 0 196.294 2.461 10 0 AEAERO CC[C@@H](C)[N@H+](C)Cc1conc1C 646055250 375571913 /nfs/dbraw/zinc/57/19/13/375571913.db2.gz GNQGOXHSNREUDO-MRVPVSSYSA-N 1 0 182.267 2.213 10 0 AEAERO CCCC[N@H+](C)Cc1conc1C 646046834 375572375 /nfs/dbraw/zinc/57/23/75/375572375.db2.gz MNAYWIBQXXQOOF-UHFFFAOYSA-N 1 0 182.267 2.215 10 0 AEAERO Cc1nocc1C[NH+]1C2CCC1CC2 646049905 375572454 /nfs/dbraw/zinc/57/24/54/375572454.db2.gz RJEZSNIKQLLAOV-UHFFFAOYSA-N 1 0 192.262 2.110 10 0 AEAERO CCC[N@H+](CC)Cc1conc1C 646046216 375572505 /nfs/dbraw/zinc/57/25/05/375572505.db2.gz KBSSKROQYQDTMF-UHFFFAOYSA-N 1 0 182.267 2.215 10 0 AEAERO Cc1nocc1C[N@@H+](C)[C@@H](C)C(C)C 646053219 375572638 /nfs/dbraw/zinc/57/26/38/375572638.db2.gz FTMBCKIETBTPBF-JTQLQIEISA-N 1 0 196.294 2.459 10 0 AEAERO CC[C@@H](C)C[N@H+](C)Cc1conc1C 646061420 375573221 /nfs/dbraw/zinc/57/32/21/375573221.db2.gz MXTWBTNKJCZEMP-SECBINFHSA-N 1 0 196.294 2.461 10 0 AEAERO Cc1nocc1C[N@@H+](C)CC(C)(C)C 646064459 375573645 /nfs/dbraw/zinc/57/36/45/375573645.db2.gz ONFOISHCGAPNEE-UHFFFAOYSA-N 1 0 196.294 2.461 10 0 AEAERO CC[C@H](C)C[N@H+](C)Cc1conc1C 646061421 375573703 /nfs/dbraw/zinc/57/37/03/375573703.db2.gz MXTWBTNKJCZEMP-VIFPVBQESA-N 1 0 196.294 2.461 10 0 AEAERO C[N@H+](CCCCF)C(C)(C)C 646088555 375575396 /nfs/dbraw/zinc/57/53/96/375575396.db2.gz FENASDMWIXQVJX-UHFFFAOYSA-N 1 0 161.264 2.466 10 0 AEAERO Cc1nocc1C[N@H+](C)CCC1CC1 646103693 375576616 /nfs/dbraw/zinc/57/66/16/375576616.db2.gz VEOSATAWBXOHJM-UHFFFAOYSA-N 1 0 194.278 2.215 10 0 AEAERO CC[N@H+](Cc1conc1C)C1CCC1 646089624 375576795 /nfs/dbraw/zinc/57/67/95/375576795.db2.gz KTLBLUZEKVQHPW-UHFFFAOYSA-N 1 0 194.278 2.357 10 0 AEAERO C[C@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 646139962 375579885 /nfs/dbraw/zinc/57/98/85/375579885.db2.gz KGAPSMACEFCZRQ-JQWIXIFHSA-N 1 0 197.322 2.022 10 0 AEAERO OCCC[N@@H+]1CCCC[C@@H]1C1CCC1 646138516 375580032 /nfs/dbraw/zinc/58/00/32/375580032.db2.gz KYEOAKOXGGVQFX-GFCCVEGCSA-N 1 0 197.322 2.023 10 0 AEAERO CC1=CC[C@@H]([NH2+][C@H](C)C(C)(C)O)CC1 646132375 375580078 /nfs/dbraw/zinc/58/00/78/375580078.db2.gz AWXNERJYHIWNGW-GHMZBOCLSA-N 1 0 197.322 2.234 10 0 AEAERO C[C@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 646139961 375580332 /nfs/dbraw/zinc/58/03/32/375580332.db2.gz KGAPSMACEFCZRQ-CMPLNLGQSA-N 1 0 197.322 2.022 10 0 AEAERO COCC[N@@H+]1CCCC[C@H]1C1CCC1 646137918 375580378 /nfs/dbraw/zinc/58/03/78/375580378.db2.gz YBIGCMKHQSQPEB-LBPRGKRZSA-N 1 0 197.322 2.287 10 0 AEAERO CC1=CC[C@H]([NH2+][C@H](C)C(C)(C)O)CC1 646132376 375580429 /nfs/dbraw/zinc/58/04/29/375580429.db2.gz AWXNERJYHIWNGW-MNOVXSKESA-N 1 0 197.322 2.234 10 0 AEAERO C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 646139964 375580447 /nfs/dbraw/zinc/58/04/47/375580447.db2.gz KGAPSMACEFCZRQ-ZYHUDNBSSA-N 1 0 197.322 2.022 10 0 AEAERO COCC[N@@H+]1CCCC[C@@H]1C1CCC1 646137915 375580636 /nfs/dbraw/zinc/58/06/36/375580636.db2.gz YBIGCMKHQSQPEB-GFCCVEGCSA-N 1 0 197.322 2.287 10 0 AEAERO OCCC[N@@H+]1CCCC[C@H]1C1CCC1 646138519 375580660 /nfs/dbraw/zinc/58/06/60/375580660.db2.gz KYEOAKOXGGVQFX-LBPRGKRZSA-N 1 0 197.322 2.023 10 0 AEAERO CC/C=C\CC[N@@H+]1C[C@@H](O)CC[C@@H]1C 646144663 375581158 /nfs/dbraw/zinc/58/11/58/375581158.db2.gz AINHACLKYCCAOD-DFPOMNKCSA-N 1 0 197.322 2.188 10 0 AEAERO CC1=CC[C@H]([NH2+][C@H](C)[C@@H](C)CO)CC1 646143317 375581257 /nfs/dbraw/zinc/58/12/57/375581257.db2.gz SFIDNOSRMRWYOS-TUAOUCFPSA-N 1 0 197.322 2.092 10 0 AEAERO CC1=CC[C@H]([NH2+][C@H](C)[C@H](C)CO)CC1 646143318 375581470 /nfs/dbraw/zinc/58/14/70/375581470.db2.gz SFIDNOSRMRWYOS-UTUOFQBUSA-N 1 0 197.322 2.092 10 0 AEAERO CC/C=C/CC[N@@H+]1C[C@@H](O)CC[C@@H]1C 646144664 375581679 /nfs/dbraw/zinc/58/16/79/375581679.db2.gz AINHACLKYCCAOD-XMXMHJJKSA-N 1 0 197.322 2.188 10 0 AEAERO CC1=CC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)CC1 646143316 375581750 /nfs/dbraw/zinc/58/17/50/375581750.db2.gz SFIDNOSRMRWYOS-SRVKXCTJSA-N 1 0 197.322 2.092 10 0 AEAERO CC1=CC[C@H]([NH2+][C@@H](C)[C@H](C)CO)CC1 646143319 375581838 /nfs/dbraw/zinc/58/18/38/375581838.db2.gz SFIDNOSRMRWYOS-WOPDTQHZSA-N 1 0 197.322 2.092 10 0 AEAERO Cc1nocc1C[NH+]1CC(C(C)C)C1 646182003 375582617 /nfs/dbraw/zinc/58/26/17/375582617.db2.gz GLERXSVDGKOMNV-UHFFFAOYSA-N 1 0 194.278 2.071 10 0 AEAERO CCOC[C@H](C)[NH2+][C@H]1CC=C(C)CC1 646164828 375582678 /nfs/dbraw/zinc/58/26/78/375582678.db2.gz NUKMRQKJTIITGQ-RYUDHWBXSA-N 1 0 197.322 2.500 10 0 AEAERO CCOC[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 646164827 375582721 /nfs/dbraw/zinc/58/27/21/375582721.db2.gz NUKMRQKJTIITGQ-NWDGAFQWSA-N 1 0 197.322 2.500 10 0 AEAERO CCc1nocc1C[N@H+]1CC[C@H]1CC 646208123 375583023 /nfs/dbraw/zinc/58/30/23/375583023.db2.gz XQWFGGSGTUPLBA-SNVBAGLBSA-N 1 0 194.278 2.221 10 0 AEAERO CCc1nocc1C[N@H+]1CC[C@@H]1CC 646208122 375583177 /nfs/dbraw/zinc/58/31/77/375583177.db2.gz XQWFGGSGTUPLBA-JTQLQIEISA-N 1 0 194.278 2.221 10 0 AEAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CF 646215091 375583830 /nfs/dbraw/zinc/58/38/30/375583830.db2.gz YQELWLWQTDVPPN-VGMNWLOBSA-N 1 0 161.264 2.369 10 0 AEAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CF 646215090 375583903 /nfs/dbraw/zinc/58/39/03/375583903.db2.gz YQELWLWQTDVPPN-HRDYMLBCSA-N 1 0 161.264 2.369 10 0 AEAERO COC[C@@H]1CC[N@@H+]1C[C@@H]1CC=CCC1 646235233 375584168 /nfs/dbraw/zinc/58/41/68/375584168.db2.gz ABYRFFHMZNFSEZ-NEPJUHHUSA-N 1 0 195.306 2.063 10 0 AEAERO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)CF 646215163 375584331 /nfs/dbraw/zinc/58/43/31/375584331.db2.gz HDLSIBKKDCZGGQ-XHNCKOQMSA-N 1 0 159.248 2.123 10 0 AEAERO COC[C@H]1CC[N@@H+]1C[C@H]1CC=CCC1 646235234 375584445 /nfs/dbraw/zinc/58/44/45/375584445.db2.gz ABYRFFHMZNFSEZ-NWDGAFQWSA-N 1 0 195.306 2.063 10 0 AEAERO COC[C@@H]1CC[N@@H+]1C[C@H]1CC=CCC1 646235235 375584465 /nfs/dbraw/zinc/58/44/65/375584465.db2.gz ABYRFFHMZNFSEZ-RYUDHWBXSA-N 1 0 195.306 2.063 10 0 AEAERO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)CF 646215162 375584494 /nfs/dbraw/zinc/58/44/94/375584494.db2.gz HDLSIBKKDCZGGQ-CIUDSAMLSA-N 1 0 159.248 2.123 10 0 AEAERO COC[C@@H]1CC[N@@H+]1C[C@H](C)C(C)(C)C 646235573 375585089 /nfs/dbraw/zinc/58/50/89/375585089.db2.gz RLKQYABNAQBKNO-QWRGUYRKSA-N 1 0 199.338 2.389 10 0 AEAERO COC[C@H]1CC[N@@H+]1C[C@H](C)C(C)(C)C 646235574 375585116 /nfs/dbraw/zinc/58/51/16/375585116.db2.gz RLKQYABNAQBKNO-WDEREUQCSA-N 1 0 199.338 2.389 10 0 AEAERO COC[C@H]1CC[N@@H+]1C[C@@H](C)C(C)(C)C 646235571 375585220 /nfs/dbraw/zinc/58/52/20/375585220.db2.gz RLKQYABNAQBKNO-GHMZBOCLSA-N 1 0 199.338 2.389 10 0 AEAERO CCC[C@@H](C)C[N@@H+]1CC[C@H]1COC 646235316 375585421 /nfs/dbraw/zinc/58/54/21/375585421.db2.gz RPOUFKLBVABBSB-MNOVXSKESA-N 1 0 185.311 2.143 10 0 AEAERO COC[C@H]1CC[N@@H+]1C[C@@H]1CC=CCC1 646235236 375585431 /nfs/dbraw/zinc/58/54/31/375585431.db2.gz ABYRFFHMZNFSEZ-VXGBXAGGSA-N 1 0 195.306 2.063 10 0 AEAERO CCC(CC)C[N@@H+]1CC[C@@H]1COC 646235281 375585516 /nfs/dbraw/zinc/58/55/16/375585516.db2.gz HXRMFKSJRAGETH-LLVKDONJSA-N 1 0 185.311 2.143 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@@H]1COC 646235318 375585659 /nfs/dbraw/zinc/58/56/59/375585659.db2.gz RPOUFKLBVABBSB-WDEREUQCSA-N 1 0 185.311 2.143 10 0 AEAERO CCC(CC)C[N@@H+]1CC[C@H]1COC 646235282 375585800 /nfs/dbraw/zinc/58/58/00/375585800.db2.gz HXRMFKSJRAGETH-NSHDSACASA-N 1 0 185.311 2.143 10 0 AEAERO CCC[C@@H](C)C[N@@H+]1CC[C@@H]1COC 646235315 375585972 /nfs/dbraw/zinc/58/59/72/375585972.db2.gz RPOUFKLBVABBSB-GHMZBOCLSA-N 1 0 185.311 2.143 10 0 AEAERO CCC[C@H](C)C[N@@H+]1CC[C@H]1COC 646235317 375586034 /nfs/dbraw/zinc/58/60/34/375586034.db2.gz RPOUFKLBVABBSB-QWRGUYRKSA-N 1 0 185.311 2.143 10 0 AEAERO CCc1nocc1C[N@@H+]1C[C@H](C)[C@@H]1C 646252286 375586716 /nfs/dbraw/zinc/58/67/16/375586716.db2.gz DPXNGQNEORRRPM-IUCAKERBSA-N 1 0 194.278 2.077 10 0 AEAERO CCc1nocc1C[N@@H+]1C[C@@H](C)[C@H]1C 646252287 375586749 /nfs/dbraw/zinc/58/67/49/375586749.db2.gz DPXNGQNEORRRPM-RKDXNWHRSA-N 1 0 194.278 2.077 10 0 AEAERO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)cn1 646252607 375586935 /nfs/dbraw/zinc/58/69/35/375586935.db2.gz FVALPMYUBGLSLT-ONGXEEELSA-N 1 0 190.290 2.230 10 0 AEAERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)cn1 646252606 375587005 /nfs/dbraw/zinc/58/70/05/375587005.db2.gz FVALPMYUBGLSLT-MWLCHTKSSA-N 1 0 190.290 2.230 10 0 AEAERO CCc1nocc1C[N@@H+]1C[C@H](C)[C@H]1C 646252285 375587224 /nfs/dbraw/zinc/58/72/24/375587224.db2.gz DPXNGQNEORRRPM-DTWKUNHWSA-N 1 0 194.278 2.077 10 0 AEAERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)cn1 646252605 375587527 /nfs/dbraw/zinc/58/75/27/375587527.db2.gz FVALPMYUBGLSLT-KOLCDFICSA-N 1 0 190.290 2.230 10 0 AEAERO CCc1nocc1C[N@@H+]1C[C@@H](C)[C@@H]1C 646252280 375587608 /nfs/dbraw/zinc/58/76/08/375587608.db2.gz DPXNGQNEORRRPM-BDAKNGLRSA-N 1 0 194.278 2.077 10 0 AEAERO Cc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)cn1 646252604 375587821 /nfs/dbraw/zinc/58/78/21/375587821.db2.gz FVALPMYUBGLSLT-GXSJLCMTSA-N 1 0 190.290 2.230 10 0 AEAERO C[C@H](C[NH2+]CC1(F)CC1)CC(F)F 647226434 375631298 /nfs/dbraw/zinc/63/12/98/375631298.db2.gz GNSUWMDLBOLSJH-ZETCQYMHSA-N 1 0 195.228 2.369 10 0 AEAERO C[C@@H](C[NH2+]CC1CC1)CC(F)F 647225497 375631578 /nfs/dbraw/zinc/63/15/78/375631578.db2.gz IOVHWZOAOHRYRH-SSDOTTSWSA-N 1 0 177.238 2.277 10 0 AEAERO C[C@H](C[NH2+]CC1CC1)CC(F)F 647225498 375631665 /nfs/dbraw/zinc/63/16/65/375631665.db2.gz IOVHWZOAOHRYRH-ZETCQYMHSA-N 1 0 177.238 2.277 10 0 AEAERO C[C@@H](C[NH2+]CC1(F)CC1)CC(F)F 647226433 375631689 /nfs/dbraw/zinc/63/16/89/375631689.db2.gz GNSUWMDLBOLSJH-SSDOTTSWSA-N 1 0 195.228 2.369 10 0 AEAERO FC1(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 647256813 375632497 /nfs/dbraw/zinc/63/24/97/375632497.db2.gz IQLYBRCYRNHOCB-OPRDCNLKSA-N 1 0 183.270 2.267 10 0 AEAERO COCC1(CC[NH2+][C@H](C)C2CC2)CC1 647227236 375632501 /nfs/dbraw/zinc/63/25/01/375632501.db2.gz OQSHWKJAXHTCLF-SNVBAGLBSA-N 1 0 197.322 2.191 10 0 AEAERO CC[C@H](C)C[NH2+]CCC1(COC)CC1 647227257 375632543 /nfs/dbraw/zinc/63/25/43/375632543.db2.gz VSFKYUUQGGAXQX-NSHDSACASA-N 1 0 199.338 2.439 10 0 AEAERO COCC1(CC[NH2+][C@@H](C)C2CC2)CC1 647227235 375632584 /nfs/dbraw/zinc/63/25/84/375632584.db2.gz OQSHWKJAXHTCLF-JTQLQIEISA-N 1 0 197.322 2.191 10 0 AEAERO CC[C@@H](C)C[NH2+]CCC1(COC)CC1 647227256 375632601 /nfs/dbraw/zinc/63/26/01/375632601.db2.gz VSFKYUUQGGAXQX-LLVKDONJSA-N 1 0 199.338 2.439 10 0 AEAERO FC1(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 647256812 375632635 /nfs/dbraw/zinc/63/26/35/375632635.db2.gz IQLYBRCYRNHOCB-LPEHRKFASA-N 1 0 183.270 2.267 10 0 AEAERO COCC1(CC[NH2+]CC2(C)CC2)CC1 647227145 375632664 /nfs/dbraw/zinc/63/26/64/375632664.db2.gz ZAHJBTKZOMIOIR-UHFFFAOYSA-N 1 0 197.322 2.193 10 0 AEAERO COCC1(CC[NH2+]CC(C)(C)C)CC1 647227208 375632708 /nfs/dbraw/zinc/63/27/08/375632708.db2.gz FVVYUGOZXAVGEM-UHFFFAOYSA-N 1 0 199.338 2.439 10 0 AEAERO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC2CC2)C1 647248463 375632900 /nfs/dbraw/zinc/63/29/00/375632900.db2.gz ZAYRGGJQMZFMIR-PHIMTYICSA-N 1 0 197.322 2.332 10 0 AEAERO CC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 647343079 375644284 /nfs/dbraw/zinc/64/42/84/375644284.db2.gz CDACZPUBTXEFGB-AOOOYVTPSA-N 1 0 185.311 2.331 10 0 AEAERO COCC1(CC[NH2+][C@H](C)C(C)C)CC1 647319813 375643911 /nfs/dbraw/zinc/64/39/11/375643911.db2.gz MDQNGQHWXRMXOV-LLVKDONJSA-N 1 0 199.338 2.437 10 0 AEAERO COCC1(CC[NH2+][C@@H](C)C(C)C)CC1 647319815 375644007 /nfs/dbraw/zinc/64/40/07/375644007.db2.gz MDQNGQHWXRMXOV-NSHDSACASA-N 1 0 199.338 2.437 10 0 AEAERO CC(C)[NH2+]C[C@@H](C)CC(F)F 647318542 375644268 /nfs/dbraw/zinc/64/42/68/375644268.db2.gz RVJVOWAAFLZNTH-ZETCQYMHSA-N 1 0 165.227 2.276 10 0 AEAERO COCC1(CC[NH2+]C2CC(C)C2)CC1 647320383 375644278 /nfs/dbraw/zinc/64/42/78/375644278.db2.gz FBGTYGIDLMYAAW-UHFFFAOYSA-N 1 0 197.322 2.191 10 0 AEAERO CC(C)[NH2+]C[C@H](C)CC(F)F 647318541 375644324 /nfs/dbraw/zinc/64/43/24/375644324.db2.gz RVJVOWAAFLZNTH-SSDOTTSWSA-N 1 0 165.227 2.276 10 0 AEAERO CC[N@H+](CC(C)(C)N)C1CC(C)(C)C1 647551869 375662562 /nfs/dbraw/zinc/66/25/62/375662562.db2.gz SZCXJELRKHINIP-UHFFFAOYSA-N 1 0 198.354 2.234 10 0 AEAERO C1=C(CC[NH2+]Cc2ccon2)CCC1 647911822 375675453 /nfs/dbraw/zinc/67/54/53/375675453.db2.gz LLMRGGUXYPJAPW-UHFFFAOYSA-N 1 0 192.262 2.265 10 0 AEAERO CCOc1cc(C)[nH+]c(C)c1C 647881435 375672064 /nfs/dbraw/zinc/67/20/64/375672064.db2.gz SNNVRWOAKUTMBK-UHFFFAOYSA-N 1 0 165.236 2.406 10 0 AEAERO COCCOc1cc(C)[nH+]c(C)c1C 647881414 375672239 /nfs/dbraw/zinc/67/22/39/375672239.db2.gz QZDGQBJNGLFKOG-UHFFFAOYSA-N 1 0 195.262 2.032 10 0 AEAERO C[C@@H](N)C[N@@H+]1CCC[C@@H]1CC(C)(C)C 647882678 375672800 /nfs/dbraw/zinc/67/28/00/375672800.db2.gz LZIOTJFRGJNJLS-GHMZBOCLSA-N 1 0 198.354 2.234 10 0 AEAERO C[C@H](N)C[N@@H+]1CCC[C@H]1CC(C)(C)C 647882680 375673565 /nfs/dbraw/zinc/67/35/65/375673565.db2.gz LZIOTJFRGJNJLS-QWRGUYRKSA-N 1 0 198.354 2.234 10 0 AEAERO C[C@@H](N)C[N@@H+]1CCC[C@H]1CC(C)(C)C 647882679 375673674 /nfs/dbraw/zinc/67/36/74/375673674.db2.gz LZIOTJFRGJNJLS-MNOVXSKESA-N 1 0 198.354 2.234 10 0 AEAERO C[C@H](N)C[N@@H+]1CCC[C@@H]1CC(C)(C)C 647882681 375673702 /nfs/dbraw/zinc/67/37/02/375673702.db2.gz LZIOTJFRGJNJLS-WDEREUQCSA-N 1 0 198.354 2.234 10 0 AEAERO Cc1nc(C[N@H+]2CCC[C@@H](C)C2)co1 647956742 375678559 /nfs/dbraw/zinc/67/85/59/375678559.db2.gz BNRARIJZYNXFAL-SECBINFHSA-N 1 0 194.278 2.215 10 0 AEAERO Cc1nc(C[N@@H+](C)C2CCCC2)co1 647958121 375679821 /nfs/dbraw/zinc/67/98/21/375679821.db2.gz AERSWYRJPXOUGH-UHFFFAOYSA-N 1 0 194.278 2.357 10 0 AEAERO Cc1nc(C[N@H+]2CCCC[C@@H]2C)co1 647956953 375679841 /nfs/dbraw/zinc/67/98/41/375679841.db2.gz VBLMPQPGSMJIRD-VIFPVBQESA-N 1 0 194.278 2.357 10 0 AEAERO Cc1nc(C[N@H+]2CCCC[C@H]2C)co1 647956952 375679947 /nfs/dbraw/zinc/67/99/47/375679947.db2.gz VBLMPQPGSMJIRD-SECBINFHSA-N 1 0 194.278 2.357 10 0 AEAERO Cc1nc(C[N@@H+](C)[C@@H](C)C(C)C)co1 647960803 375679957 /nfs/dbraw/zinc/67/99/57/375679957.db2.gz KEKJNIWBVBSGGM-VIFPVBQESA-N 1 0 196.294 2.459 10 0 AEAERO Cc1nc(C[N@@H+](C)CC(C)C)co1 647960916 375680073 /nfs/dbraw/zinc/68/00/73/375680073.db2.gz SXCMSXJLTDODSW-UHFFFAOYSA-N 1 0 182.267 2.071 10 0 AEAERO Cc1nc(C[N@@H+](C)[C@H](C)C(C)C)co1 647960802 375680109 /nfs/dbraw/zinc/68/01/09/375680109.db2.gz KEKJNIWBVBSGGM-SECBINFHSA-N 1 0 196.294 2.459 10 0 AEAERO Cc1nc(C[N@H+]2CCC[C@H](C)C2)co1 647956743 375680450 /nfs/dbraw/zinc/68/04/50/375680450.db2.gz BNRARIJZYNXFAL-VIFPVBQESA-N 1 0 194.278 2.215 10 0 AEAERO COCC1(CC[NH2+]C[C@H]2C[C@@H]2C)CC1 648052388 375686403 /nfs/dbraw/zinc/68/64/03/375686403.db2.gz GTXZBKBTKJIDAY-WDEREUQCSA-N 1 0 197.322 2.049 10 0 AEAERO COCC1(CC[NH2+]C[C@@H]2C[C@@H]2C)CC1 648052387 375686454 /nfs/dbraw/zinc/68/64/54/375686454.db2.gz GTXZBKBTKJIDAY-QWRGUYRKSA-N 1 0 197.322 2.049 10 0 AEAERO CCCC[C@](C)(CO)[NH2+]C[C@@H]1C[C@H]1C 648061171 375686788 /nfs/dbraw/zinc/68/67/88/375686788.db2.gz UDRNOUPRERBELS-GRYCIOLGSA-N 1 0 199.338 2.173 10 0 AEAERO CCCC[C@](C)(CO)[NH2+]C[C@H]1C[C@@H]1C 648061173 375687160 /nfs/dbraw/zinc/68/71/60/375687160.db2.gz UDRNOUPRERBELS-QJPTWQEYSA-N 1 0 199.338 2.173 10 0 AEAERO CC1(CC(F)F)C[NH+](CC2CC2)C1 648058514 375687222 /nfs/dbraw/zinc/68/72/22/375687222.db2.gz OBGYJRIQPOVDCF-UHFFFAOYSA-N 1 0 189.249 2.374 10 0 AEAERO CCCC[C@](C)(CO)[NH2+]C[C@H]1C[C@H]1C 648061172 375687233 /nfs/dbraw/zinc/68/72/33/375687233.db2.gz UDRNOUPRERBELS-IJLUTSLNSA-N 1 0 199.338 2.173 10 0 AEAERO CCCC[C@](C)(CO)[NH2+]C[C@@H]1C[C@@H]1C 648061174 375687234 /nfs/dbraw/zinc/68/72/34/375687234.db2.gz UDRNOUPRERBELS-SDDRHHMPSA-N 1 0 199.338 2.173 10 0 AEAERO COCC1(CC[NH2+]C[C@@H]2C[C@H]2C)CC1 648052386 375687387 /nfs/dbraw/zinc/68/73/87/375687387.db2.gz GTXZBKBTKJIDAY-MNOVXSKESA-N 1 0 197.322 2.049 10 0 AEAERO COCC1(CC[NH2+]C[C@H]2C[C@H]2C)CC1 648052385 375687392 /nfs/dbraw/zinc/68/73/92/375687392.db2.gz GTXZBKBTKJIDAY-GHMZBOCLSA-N 1 0 197.322 2.049 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 648077070 375689270 /nfs/dbraw/zinc/68/92/70/375689270.db2.gz YDHMUMHGTGSKKR-YBXAARCKSA-N 1 0 179.307 2.421 10 0 AEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 648077068 375689765 /nfs/dbraw/zinc/68/97/65/375689765.db2.gz YDHMUMHGTGSKKR-LZQZFOIKSA-N 1 0 179.307 2.421 10 0 AEAERO CC[N@H+](C)Cc1cc(F)cc(OC)c1 648355865 375710942 /nfs/dbraw/zinc/71/09/42/375710942.db2.gz BDHAQOYPWXNDKL-UHFFFAOYSA-N 1 0 197.253 2.286 10 0 AEAERO CCC[N@H+](C)Cc1ccncc1F 648356391 375711126 /nfs/dbraw/zinc/71/11/26/375711126.db2.gz AMAOECXYDXTBSA-UHFFFAOYSA-N 1 0 182.242 2.063 10 0 AEAERO Cc1cnccc1C[NH2+]CC[C@H](C)F 648594402 375720741 /nfs/dbraw/zinc/72/07/41/375720741.db2.gz FRXZSEMQGZIJIT-JTQLQIEISA-N 1 0 196.269 2.228 10 0 AEAERO CCC[NH2+]Cc1cc2cccnc2o1 648405316 375711881 /nfs/dbraw/zinc/71/18/81/375711881.db2.gz 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/nfs/dbraw/zinc/32/50/58/573325058.db2.gz GKVMLSPWFWRERX-RMKNXTFCSA-N 1 0 179.238 2.448 10 0 AEAERO CC[C@@H](C[NH2+]CC1CCCC1)N(C)C 132618994 573325069 /nfs/dbraw/zinc/32/50/69/573325069.db2.gz YDEZWTKQLKTWJS-LBPRGKRZSA-N 1 0 198.354 2.106 10 0 AEAERO CC[NH2+]C/C=C/C1CCCC1 86227818 573325074 /nfs/dbraw/zinc/32/50/74/573325074.db2.gz CQPYZMUPABCZIP-VMPITWQZSA-N 1 0 153.269 2.342 10 0 AEAERO Cc1nc(C2CC[NH+](C)CC2)cs1 259419689 573325091 /nfs/dbraw/zinc/32/50/91/573325091.db2.gz WSTAPGLZDMBBPN-UHFFFAOYSA-N 1 0 196.319 2.261 10 0 AEAERO [NH3+]C[C@@H](O)C1(C2CCCC2)CCCC1 106874772 573325097 /nfs/dbraw/zinc/32/50/97/573325097.db2.gz UTKKJLNGPLMZIP-LLVKDONJSA-N 1 0 197.322 2.057 10 0 AEAERO CCCCCC[C@]1(O)C[C@H](C)[N@H+](C)C1 132603984 573325114 /nfs/dbraw/zinc/32/51/14/573325114.db2.gz QLKSSICXQVRDTP-RYUDHWBXSA-N 1 0 199.338 2.412 10 0 AEAERO C[C@H]([NH3+])[C@H](C)c1cccc(F)c1 74335850 573325118 /nfs/dbraw/zinc/32/51/18/573325118.db2.gz MZSMASZIIXYQAZ-YUMQZZPRSA-N 1 0 167.227 2.276 10 0 AEAERO C[NH2+]CC(C)(C)c1ccc(F)cc1O 106874422 573325127 /nfs/dbraw/zinc/32/51/27/573325127.db2.gz IQDFAIGFCALYJV-UHFFFAOYSA-N 1 0 197.253 2.028 10 0 AEAERO Oc1cc([C@@H]2CC[NH2+]C2)ccc1Cl 106874856 573325311 /nfs/dbraw/zinc/32/53/11/573325311.db2.gz OQDSTMQIUNOSRJ-MRVPVSSYSA-N 1 0 197.665 2.123 10 0 AEAERO CC(C)[C@H](C[NH3+])c1ccc(F)c(O)c1 106874445 573325336 /nfs/dbraw/zinc/32/53/36/573325336.db2.gz WIOUVMFQGMHZSN-VIFPVBQESA-N 1 0 197.253 2.230 10 0 AEAERO CC(C)[C@H](C[NH3+])c1cc(O)ccc1F 106874475 573325366 /nfs/dbraw/zinc/32/53/66/573325366.db2.gz ODPVYLCNTVCSPT-JTQLQIEISA-N 1 0 197.253 2.230 10 0 AEAERO CC[C@@H](C)/C=C(/C)C[NH2+]C 86228641 573325389 /nfs/dbraw/zinc/32/53/89/573325389.db2.gz BIIFLDZLTSHPRY-WSQKDGNHSA-N 1 0 141.258 2.198 10 0 AEAERO Cc1c(Cl)cccc1NC[C@H](C)[NH3+] 106876434 573325416 /nfs/dbraw/zinc/32/54/16/573325416.db2.gz CFXVEDBABWMASH-ZETCQYMHSA-N 1 0 198.697 2.408 10 0 AEAERO COc1c(O)cc([C@H](C)[NH3+])c(C)c1C 258003861 573325431 /nfs/dbraw/zinc/32/54/31/573325431.db2.gz GTYVRTKNEBUVAU-QMMMGPOBSA-N 1 0 195.262 2.037 10 0 AEAERO C[NH2+]CC(=O)c1cccc(C)c1Cl 106874817 573325502 /nfs/dbraw/zinc/32/55/02/573325502.db2.gz NCYZHUTWGGTKLE-UHFFFAOYSA-N 1 0 197.665 2.051 10 0 AEAERO Oc1ccc(Cl)c([C@H]2CCC[NH2+]2)c1 106874887 573325522 /nfs/dbraw/zinc/32/55/22/573325522.db2.gz QJWMRDCPANXPTO-SNVBAGLBSA-N 1 0 197.665 2.470 10 0 AEAERO C[C@@H]([NH3+])[C@H](C)c1ccccc1F 74335855 573325531 /nfs/dbraw/zinc/32/55/31/573325531.db2.gz CQDILGBHYHSMTP-JGVFFNPUSA-N 1 0 167.227 2.276 10 0 AEAERO CC[C@@](C)([C@H](C)N)[N@H+](C)CC1CCC1 308553624 573325564 /nfs/dbraw/zinc/32/55/64/573325564.db2.gz RDEGJIGTTDNNBB-JQWIXIFHSA-N 1 0 198.354 2.234 10 0 AEAERO COCC[C@@H]([NH3+])C1CCCCCC1 129505411 573325565 /nfs/dbraw/zinc/32/55/65/573325565.db2.gz ZCICUCHDBQURHF-LLVKDONJSA-N 1 0 185.311 2.321 10 0 AEAERO CC1(C)C(=O)CCC[N@@H+]1C1CCCC1 259417578 573325566 /nfs/dbraw/zinc/32/55/66/573325566.db2.gz NFLYEDMHZYRPKM-UHFFFAOYSA-N 1 0 195.306 2.373 10 0 AEAERO CCCCC1(O)CC[NH+](C2CC2)CC1 308548920 573325593 /nfs/dbraw/zinc/32/55/93/573325593.db2.gz WXVWJQOJQGSRGE-UHFFFAOYSA-N 1 0 197.322 2.166 10 0 AEAERO CC[C@@H]([NH3+])c1cc(C)nc(C)c1 74340048 573325609 /nfs/dbraw/zinc/32/56/09/573325609.db2.gz OCWNHAQYOKHQFE-SNVBAGLBSA-N 1 0 164.252 2.108 10 0 AEAERO Cc1cc([C@@H]([NH3+])CC2CC2)co1 74339120 573325614 /nfs/dbraw/zinc/32/56/14/573325614.db2.gz OTVZZWJRFBTVRD-JTQLQIEISA-N 1 0 165.236 2.388 10 0 AEAERO C[C@@H]1CCC[C@H](C[C@](C)(C[NH3+])CO)C1 308548817 573325685 /nfs/dbraw/zinc/32/56/85/573325685.db2.gz WWANVNWWEDYTAI-GRYCIOLGSA-N 1 0 199.338 2.160 10 0 AEAERO [NH3+]Cc1ccc([C@@H]2CCCS2)nc1 258004902 573325690 /nfs/dbraw/zinc/32/56/90/573325690.db2.gz GPSHMWWHMBNRQO-JTQLQIEISA-N 1 0 194.303 2.108 10 0 AEAERO C[NH2+]CCCCNc1cccc(F)c1 258630245 573325772 /nfs/dbraw/zinc/32/57/72/573325772.db2.gz CYPAZALSQWQKDR-UHFFFAOYSA-N 1 0 196.269 2.237 10 0 AEAERO CCC(CC)C[C@H]([NH2+]C)c1cn[nH]c1 308553087 573325805 /nfs/dbraw/zinc/32/58/05/573325805.db2.gz SYWYBTNXMVVUME-NSHDSACASA-N 1 0 195.310 2.497 10 0 AEAERO CCC(CC)C[C@@H]([NH2+]C)c1cn[nH]c1 308553085 573325819 /nfs/dbraw/zinc/32/58/19/573325819.db2.gz SYWYBTNXMVVUME-LLVKDONJSA-N 1 0 195.310 2.497 10 0 AEAERO CC(C)(C)C[C@@H]([NH3+])c1cnco1 74333281 573325847 /nfs/dbraw/zinc/32/58/47/573325847.db2.gz RPSWVSZPZOIZDE-SSDOTTSWSA-N 1 0 168.240 2.111 10 0 AEAERO CC(C)C[C@@H](C)[C@H]([NH3+])c1ccnn1C 308553629 573325850 /nfs/dbraw/zinc/32/58/50/573325850.db2.gz RDLRJNWHWOYWTR-KOLCDFICSA-N 1 0 195.310 2.102 10 0 AEAERO CC[C@@](C)([C@@H](C)N)[N@H+](C)CC1CCC1 308553625 573325890 /nfs/dbraw/zinc/32/58/90/573325890.db2.gz RDEGJIGTTDNNBB-PWSUYJOCSA-N 1 0 198.354 2.234 10 0 AEAERO Cc1coc(-c2cccc(C[NH3+])c2)n1 259606837 573325902 /nfs/dbraw/zinc/32/59/02/573325902.db2.gz DLTYDVCKXLPYIM-UHFFFAOYSA-N 1 0 188.230 2.109 10 0 AEAERO C[C@H]1C[NH2+]CC[C@@H]1c1ccccc1O 259606826 573325930 /nfs/dbraw/zinc/32/59/30/573325930.db2.gz DLSWBGGLCSXCDI-UWVGGRQHSA-N 1 0 191.274 2.105 10 0 AEAERO CCCCCC[C@@]1(O)C[C@@H](C)[N@H+](C)C1 132604615 573325982 /nfs/dbraw/zinc/32/59/82/573325982.db2.gz QLKSSICXQVRDTP-VXGBXAGGSA-N 1 0 199.338 2.412 10 0 AEAERO COc1cc(C[C@H](C)[NH3+])cc(C)c1F 258003883 573326003 /nfs/dbraw/zinc/32/60/03/573326003.db2.gz GUFIDGKKGZJKMD-QMMMGPOBSA-N 1 0 197.253 2.032 10 0 AEAERO C[N@@H+]1CC[C@@H](c2ccc(F)c(F)c2)C1 117211586 573326087 /nfs/dbraw/zinc/32/60/87/573326087.db2.gz QDXUCQPDXXXLPM-SECBINFHSA-N 1 0 197.228 2.384 10 0 AEAERO Cc1ccc(C[C@@H]([NH3+])C(C)C)o1 74335724 573326106 /nfs/dbraw/zinc/32/61/06/573326106.db2.gz MXPKPPZNXHCJSI-SNVBAGLBSA-N 1 0 167.252 2.114 10 0 AEAERO [NH3+]CC[C@H]1CCc2sccc21 74335033 573326111 /nfs/dbraw/zinc/32/61/11/573326111.db2.gz QOISHQLRGCRNDN-SSDOTTSWSA-N 1 0 167.277 2.127 10 0 AEAERO C[C@H]1C[NH2+]CC[C@H]1c1ccccc1O 259606831 573326165 /nfs/dbraw/zinc/32/61/65/573326165.db2.gz DLSWBGGLCSXCDI-VHSXEESVSA-N 1 0 191.274 2.105 10 0 AEAERO [NH3+]CC[C@H]1CCCc2occc21 74339085 573326231 /nfs/dbraw/zinc/32/62/31/573326231.db2.gz GFQRGDSELPCJAD-MRVPVSSYSA-N 1 0 165.236 2.048 10 0 AEAERO C[C@@H]([NH3+])[C@H](C)c1cccc(F)c1 74335844 573326252 /nfs/dbraw/zinc/32/62/52/573326252.db2.gz MZSMASZIIXYQAZ-JGVFFNPUSA-N 1 0 167.227 2.276 10 0 AEAERO C[NH2+]C[C@@H](C)c1ccc(Cl)cc1O 106877635 573326278 /nfs/dbraw/zinc/32/62/78/573326278.db2.gz UOYBNCYPUJBXOK-SSDOTTSWSA-N 1 0 199.681 2.369 10 0 AEAERO Cn1cc[nH+]c1NC1C(C)(C)C1(C)C 86240488 573326295 /nfs/dbraw/zinc/32/62/95/573326295.db2.gz TXFFUVVFFXVVTH-UHFFFAOYSA-N 1 0 193.294 2.267 10 0 AEAERO CC[C@H](C)[C@H]([NH3+])c1ccncc1 74340039 573326303 /nfs/dbraw/zinc/32/63/03/573326303.db2.gz NNZSWWUVEPKMIQ-WPRPVWTQSA-N 1 0 164.252 2.128 10 0 AEAERO C[NH2+]C[C@H](C)c1ccc(O)cc1Cl 106877692 573326321 /nfs/dbraw/zinc/32/63/21/573326321.db2.gz BMESBJZPPYDDRI-ZETCQYMHSA-N 1 0 199.681 2.369 10 0 AEAERO C[NH2+]C[C@H](C)c1cc(O)cc(Cl)c1 106877679 573326339 /nfs/dbraw/zinc/32/63/39/573326339.db2.gz DCWUKJAXNRHMOO-ZETCQYMHSA-N 1 0 199.681 2.369 10 0 AEAERO [NH3+]Cc1cocc1C1CCCC1 74339045 573326340 /nfs/dbraw/zinc/32/63/40/573326340.db2.gz PGFYMOSIBFTJBV-UHFFFAOYSA-N 1 0 165.236 2.396 10 0 AEAERO CC(C)(C)C[C@H]([NH3+])c1cnco1 74333276 573326375 /nfs/dbraw/zinc/32/63/75/573326375.db2.gz RPSWVSZPZOIZDE-ZETCQYMHSA-N 1 0 168.240 2.111 10 0 AEAERO CCC1(CC)CC(=O)CC(C)(C)[NH2+]1 117163175 573326432 /nfs/dbraw/zinc/32/64/32/573326432.db2.gz BPAVPPMLBNUUIR-UHFFFAOYSA-N 1 0 183.295 2.276 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1O 259606834 573326457 /nfs/dbraw/zinc/32/64/57/573326457.db2.gz DLSWBGGLCSXCDI-ZJUUUORDSA-N 1 0 191.274 2.105 10 0 AEAERO CC(C)([NH3+])Cc1cccc(O)c1Cl 106877656 573326479 /nfs/dbraw/zinc/32/64/79/573326479.db2.gz HCUAGLBAGHVYFT-UHFFFAOYSA-N 1 0 199.681 2.325 10 0 AEAERO [NH3+]CC[C@@H]1CCCc2occc21 74339081 573326497 /nfs/dbraw/zinc/32/64/97/573326497.db2.gz GFQRGDSELPCJAD-QMMMGPOBSA-N 1 0 165.236 2.048 10 0 AEAERO CCC(CC)[C@H]([NH3+])[C@H]1CCO[C@@H]1C 132637540 573326514 /nfs/dbraw/zinc/32/65/14/573326514.db2.gz IYOJSWZITXWOBK-MIMYLULJSA-N 1 0 185.311 2.175 10 0 AEAERO CC(C)(C[NH3+])c1cccc(Cl)c1O 106877617 573326519 /nfs/dbraw/zinc/32/65/19/573326519.db2.gz XZNHULSLVDETIJ-UHFFFAOYSA-N 1 0 199.681 2.282 10 0 AEAERO Cc1cc(Cl)ccc1NC[C@H](C)[NH3+] 106876444 573326528 /nfs/dbraw/zinc/32/65/28/573326528.db2.gz BAZXABZQKFWBNJ-QMMMGPOBSA-N 1 0 198.697 2.408 10 0 AEAERO CCc1sc(C[C@H]([NH3+])CC)nc1C 129518660 573326551 /nfs/dbraw/zinc/32/65/51/573326551.db2.gz ALMNHHCJWNUUFG-MRVPVSSYSA-N 1 0 198.335 2.294 10 0 AEAERO CC[C@@H](C)[C@@H]([NH3+])c1ccncc1 74340041 573326576 /nfs/dbraw/zinc/32/65/76/573326576.db2.gz NNZSWWUVEPKMIQ-PSASIEDQSA-N 1 0 164.252 2.128 10 0 AEAERO COc1ccc([C@H](C)[NH+](C)C)cc1O 238343036 573326588 /nfs/dbraw/zinc/32/65/88/573326588.db2.gz QTMJAQZWHZZPBC-QMMMGPOBSA-N 1 0 195.262 2.023 10 0 AEAERO COc1ccc(Cl)c(C[C@H](C)[NH3+])c1 106877574 573326603 /nfs/dbraw/zinc/32/66/03/573326603.db2.gz MJRVVGWTHPTLLX-ZETCQYMHSA-N 1 0 199.681 2.238 10 0 AEAERO Cc1cc([C@H]([NH3+])CC2CC2)co1 74339118 573326608 /nfs/dbraw/zinc/32/66/08/573326608.db2.gz OTVZZWJRFBTVRD-SNVBAGLBSA-N 1 0 165.236 2.388 10 0 AEAERO CC(C)(C[NH3+])c1cccc(O)c1Cl 106877644 573326645 /nfs/dbraw/zinc/32/66/45/573326645.db2.gz VDKJCIKMVGZDOC-UHFFFAOYSA-N 1 0 199.681 2.282 10 0 AEAERO CCCC1([C@@H]([NH2+]C)[C@H]2CCOC2)CC1 308550549 573326652 /nfs/dbraw/zinc/32/66/52/573326652.db2.gz RPSOPIFSYNOZJS-QWRGUYRKSA-N 1 0 197.322 2.191 10 0 AEAERO C[C@@H](c1ccccc1F)[C@@H](C)[NH3+] 74335854 573326665 /nfs/dbraw/zinc/32/66/65/573326665.db2.gz CQDILGBHYHSMTP-HTQZYQBOSA-N 1 0 167.227 2.276 10 0 AEAERO [NH3+]C1(c2cccs2)CC=CC1 74338495 573326702 /nfs/dbraw/zinc/32/67/02/573326702.db2.gz SXNIJEOXACDWLH-UHFFFAOYSA-N 1 0 165.261 2.252 10 0 AEAERO COC[C@H](C)[C@@]1(C[NH3+])CCC[C@H](C)C1 308549379 573326760 /nfs/dbraw/zinc/32/67/60/573326760.db2.gz PHQLHEAQLYHCDZ-SRVKXCTJSA-N 1 0 199.338 2.424 10 0 AEAERO COC[C@H](C)[C@]1(C[NH3+])CCC[C@@H](C)C1 308549373 573326822 /nfs/dbraw/zinc/32/68/22/573326822.db2.gz PHQLHEAQLYHCDZ-GRYCIOLGSA-N 1 0 199.338 2.424 10 0 AEAERO C[C@@H]1C[NH2+]CC[C@H]1c1ccccc1O 259606822 573326833 /nfs/dbraw/zinc/32/68/33/573326833.db2.gz DLSWBGGLCSXCDI-NXEZZACHSA-N 1 0 191.274 2.105 10 0 AEAERO C[C@@H]1CCC[C@](C[NH3+])(CCCCO)C1 308550387 573327115 /nfs/dbraw/zinc/32/71/15/573327115.db2.gz PSQGDUIQAHUSTB-VXGBXAGGSA-N 1 0 199.338 2.304 10 0 AEAERO [NH3+]CC[C@@H]1CCc2sccc21 74335030 573326956 /nfs/dbraw/zinc/32/69/56/573326956.db2.gz QOISHQLRGCRNDN-ZETCQYMHSA-N 1 0 167.277 2.127 10 0 AEAERO CC[C@@H](C)[N@H+](CCN)CC1CCCC1 308550164 573326987 /nfs/dbraw/zinc/32/69/87/573326987.db2.gz RKSGFCDAQNANCU-LLVKDONJSA-N 1 0 198.354 2.236 10 0 AEAERO F[C@H](Cc1ccoc1)[C@H]1CCCC[NH2+]1 236160598 573327048 /nfs/dbraw/zinc/32/70/48/573327048.db2.gz HOLRJNCCYWLDFV-GHMZBOCLSA-N 1 0 197.253 2.302 10 0 AEAERO Cc1ccc(NCC[C@@H](C)[NH3+])cc1C 258630308 573327068 /nfs/dbraw/zinc/32/70/68/573327068.db2.gz DBNZDQPVNILZPP-LLVKDONJSA-N 1 0 192.306 2.453 10 0 AEAERO CCC[C@](C)(CO)[NH2+][C@@H]1C[C@H](C)[C@H]1C 308548949 573327087 /nfs/dbraw/zinc/32/70/87/573327087.db2.gz WRMLOEZJSOHOIU-IRCOFANPSA-N 1 0 199.338 2.172 10 0 AEAERO CCC(CC)[C@H](C)[NH2+]Cc1cn[nH]c1 308549271 573327089 /nfs/dbraw/zinc/32/70/89/573327089.db2.gz WVIDRFFIGRAGOH-VIFPVBQESA-N 1 0 195.310 2.324 10 0 AEAERO CCC(C)(C)C[NH2+]C[C@H](CO)C1CC1 308549173 573328516 /nfs/dbraw/zinc/32/85/16/573328516.db2.gz WSFRLGUEBRXBHP-LLVKDONJSA-N 1 0 199.338 2.031 10 0 AEAERO CCC[NH2+][C@@H](CC)c1ncc(C)cn1 132717123 573328551 /nfs/dbraw/zinc/32/85/51/573328551.db2.gz LWBOXWGGYPOAPB-JTQLQIEISA-N 1 0 193.294 2.236 10 0 AEAERO CCC[NH2+]C/C=C\c1cnccc1C 308348783 573328574 /nfs/dbraw/zinc/32/85/74/573328574.db2.gz RYWCDGFCLYRLQB-PLNGDYQASA-N 1 0 190.290 2.403 10 0 AEAERO C[C@H](C[NH2+]C1CCCCC1)N1CCC1 308549268 573328616 /nfs/dbraw/zinc/32/86/16/573328616.db2.gz QYALTYWTVXFQAO-LLVKDONJSA-N 1 0 196.338 2.003 10 0 AEAERO CCCC1([C@H]([NH2+]C)[C@H]2CCOC2)CC1 308550550 573328663 /nfs/dbraw/zinc/32/86/63/573328663.db2.gz RPSOPIFSYNOZJS-WDEREUQCSA-N 1 0 197.322 2.191 10 0 AEAERO C[C@H](N)C(F)(F)c1cccs1 259082976 573328664 /nfs/dbraw/zinc/32/86/64/573328664.db2.gz INYTXNYJMQJHAK-YFKPBYRVSA-N 1 0 177.219 2.187 10 0 AEAERO C[C@H]1CCC[C@](C[NH3+])(CCCCO)C1 308550382 573328776 /nfs/dbraw/zinc/32/87/76/573328776.db2.gz PSQGDUIQAHUSTB-NWDGAFQWSA-N 1 0 199.338 2.304 10 0 AEAERO CC(C)([NH3+])Cc1cc(O)cc(Cl)c1 106877685 573328817 /nfs/dbraw/zinc/32/88/17/573328817.db2.gz ZSPZSKPMFWLLCN-UHFFFAOYSA-N 1 0 199.681 2.325 10 0 AEAERO CCC[C@@H]([NH3+])c1cnccc1C 74340128 573328853 /nfs/dbraw/zinc/32/88/53/573328853.db2.gz YQNFGSSATYGABI-SNVBAGLBSA-N 1 0 164.252 2.190 10 0 AEAERO COc1cc(Cl)cc(C[C@H](C)[NH3+])c1 106877603 573328877 /nfs/dbraw/zinc/32/88/77/573328877.db2.gz WHMDPIYHQWJBRQ-ZETCQYMHSA-N 1 0 199.681 2.238 10 0 AEAERO C[C@@H](C1CCCC1)[C@@H](C)C[NH3+] 74342626 573328902 /nfs/dbraw/zinc/32/89/02/573328902.db2.gz VWJFFYGRLZYFBO-DTWKUNHWSA-N 1 0 155.285 2.408 10 0 AEAERO CCC(C)(C)C[NH2+]C[C@@H](CO)C1CC1 308549174 573328924 /nfs/dbraw/zinc/32/89/24/573328924.db2.gz WSFRLGUEBRXBHP-NSHDSACASA-N 1 0 199.338 2.031 10 0 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AEAERO COc1c(F)cc(C)cc1[C@@H](C)C[NH3+] 107365719 573546523 /nfs/dbraw/zinc/54/65/23/573546523.db2.gz NFGZCNPOFQKAFC-QMMMGPOBSA-N 1 0 197.253 2.205 10 0 AEAERO [NH3+][C@@H]1C=C(Cc2cccs2)CC1 83548475 573546535 /nfs/dbraw/zinc/54/65/35/573546535.db2.gz ZSBIVETWYNRMNJ-VIFPVBQESA-N 1 0 179.288 2.338 10 0 AEAERO COC[C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)C 308626889 573546536 /nfs/dbraw/zinc/54/65/36/573546536.db2.gz XAVATQPUNPCUFM-GRYCIOLGSA-N 1 0 199.338 2.293 10 0 AEAERO [NH3+][C@H]1C=C(c2cc(F)ccc2F)CC1 83548319 573546548 /nfs/dbraw/zinc/54/65/48/573546548.db2.gz GNFFMAXMDXJMSP-SECBINFHSA-N 1 0 195.212 2.469 10 0 AEAERO CCS[C@@]1(C[NH3+])CCC[C@@H]1C 86658426 573546550 /nfs/dbraw/zinc/54/65/50/573546550.db2.gz FKMAJKBVIQSAHS-DTWKUNHWSA-N 1 0 173.325 2.257 10 0 AEAERO C[C@@H]1C[C@H](C[NH3+])c2cccc(F)c2N1 107359629 573546593 /nfs/dbraw/zinc/54/65/93/573546593.db2.gz OACVKAYGPHRMTB-HTQZYQBOSA-N 1 0 194.253 2.072 10 0 AEAERO CCCC[C@H](CC)[NH2+]Cc1nnco1 308626338 573546601 /nfs/dbraw/zinc/54/66/01/573546601.db2.gz WPKNPOHUYJTBHY-VIFPVBQESA-N 1 0 197.282 2.128 10 0 AEAERO NC(=[NH2+])c1[nH]c2ccccc2c1Cl 107358231 573546633 /nfs/dbraw/zinc/54/66/33/573546633.db2.gz QTCWPJDEDPVHEY-UHFFFAOYSA-N 1 0 193.637 2.105 10 0 AEAERO [NH3+][C@@H]1C=C(c2cc(F)cc(F)c2)CC1 83548226 573546652 /nfs/dbraw/zinc/54/66/52/573546652.db2.gz OEXBYYFIPVXSPL-NSHDSACASA-N 1 0 195.212 2.469 10 0 AEAERO C[NH2+]C[C@](C)(F)C1CCSCC1 257825268 573546665 /nfs/dbraw/zinc/54/66/65/573546665.db2.gz HCTFXCLLMNFURD-VIFPVBQESA-N 1 0 191.315 2.077 10 0 AEAERO [NH3+][C@H]1C=C(c2ccccc2F)CC1 83548377 573546669 /nfs/dbraw/zinc/54/66/69/573546669.db2.gz ZMIIVSZWAADPFL-SECBINFHSA-N 1 0 177.222 2.330 10 0 AEAERO C[C@H](C[NH3+])c1cncn1C1CCCC1 107357793 573546684 /nfs/dbraw/zinc/54/66/84/573546684.db2.gz RAPPVCBVAVSFNH-SECBINFHSA-N 1 0 193.294 2.060 10 0 AEAERO COc1c(O)cccc1[C@@H]([NH3+])C(C)C 238436409 573546696 /nfs/dbraw/zinc/54/66/96/573546696.db2.gz KNICLAOUXFKDPP-JTQLQIEISA-N 1 0 195.262 2.057 10 0 AEAERO COCC[NH2+][C@@H]1CC[C@@](C)(C(C)C)C1 308611771 573546700 /nfs/dbraw/zinc/54/67/00/573546700.db2.gz QWUVMQAJUTTXDH-VXGBXAGGSA-N 1 0 199.338 2.437 10 0 AEAERO COC1CC([NH2+][C@@H]2CC[C@H]2C(C)C)C1 308626625 573546705 /nfs/dbraw/zinc/54/67/05/573546705.db2.gz WXQYRRRNVGYKLC-MMVSWEMESA-N 1 0 197.322 2.188 10 0 AEAERO CC(C)c1nc2c(s1)CC[C@H]2C[NH3+] 107364936 573546743 /nfs/dbraw/zinc/54/67/43/573546743.db2.gz SZXICDQAHYJHGY-ZETCQYMHSA-N 1 0 196.319 2.255 10 0 AEAERO Cc1cccc(C2=C[C@H]([NH3+])CC2)c1 83548003 573546750 /nfs/dbraw/zinc/54/67/50/573546750.db2.gz BTWDYBHQWFYDES-GFCCVEGCSA-N 1 0 173.259 2.500 10 0 AEAERO [NH3+][C@H]1C=C(Cc2ccccc2F)CC1 83548275 573546769 /nfs/dbraw/zinc/54/67/69/573546769.db2.gz SESCEYPMYFTQFM-LLVKDONJSA-N 1 0 191.249 2.416 10 0 AEAERO C[C@@H]1C[C@@H](C[NH3+])c2cccc(F)c2N1 107359633 573546770 /nfs/dbraw/zinc/54/67/70/573546770.db2.gz OACVKAYGPHRMTB-SFYZADRCSA-N 1 0 194.253 2.072 10 0 AEAERO [NH3+][C@@H]1C=C(Cc2cccc(F)c2)CC1 83548012 573546808 /nfs/dbraw/zinc/54/68/08/573546808.db2.gz LQGMXAOHDVQWQV-LBPRGKRZSA-N 1 0 191.249 2.416 10 0 AEAERO [NH3+][C@H]1C=C(C2CCCC2)CC1 83548182 573546872 /nfs/dbraw/zinc/54/68/72/573546872.db2.gz NRFMGDUOWXEYBM-SNVBAGLBSA-N 1 0 151.253 2.224 10 0 AEAERO CCC[NH2+]CCc1ncc(C2CC2)o1 83557060 573550239 /nfs/dbraw/zinc/55/02/39/573550239.db2.gz UZVSHYOLMAXTQF-UHFFFAOYSA-N 1 0 194.278 2.094 10 0 AEAERO C[NH2+]C(C)(C)CNc1sccc1C 258770474 573550256 /nfs/dbraw/zinc/55/02/56/573550256.db2.gz AUCSZEAJDLTGAX-UHFFFAOYSA-N 1 0 198.335 2.466 10 0 AEAERO CCC(C)(C)[N@H+](C)[C@@]1(CN)CC[C@@H]1C 308628258 573549534 /nfs/dbraw/zinc/54/95/34/573549534.db2.gz XTCGYCPYKIQLAM-CMPLNLGQSA-N 1 0 198.354 2.234 10 0 AEAERO [NH3+][C@@H]1C=C(c2ccccc2)CC1 83548000 573549545 /nfs/dbraw/zinc/54/95/45/573549545.db2.gz OYUUUHWLUWTZBT-NSHDSACASA-N 1 0 159.232 2.191 10 0 AEAERO [NH3+]C[C@H]1CCc2sc(C3CC3)nc21 107360631 573549546 /nfs/dbraw/zinc/54/95/46/573549546.db2.gz USNZRMUMBUTTCX-SSDOTTSWSA-N 1 0 194.303 2.009 10 0 AEAERO [NH3+][C@H](C(F)F)[C@@H]1C[C@@H]1c1ccccc1 236310322 573549565 /nfs/dbraw/zinc/54/95/65/573549565.db2.gz KGJTXSRFOBKORA-BBBLOLIVSA-N 1 0 197.228 2.383 10 0 AEAERO C[C@H]1C[C@H](C[NH3+])c2ccc(F)cc2N1 107359617 573549568 /nfs/dbraw/zinc/54/95/68/573549568.db2.gz PFRDHSASDYZWDU-JGVFFNPUSA-N 1 0 194.253 2.072 10 0 AEAERO CCc1cc([C@H](C)[NH2+]C)nn1C(C)C 257826223 573549601 /nfs/dbraw/zinc/54/96/01/573549601.db2.gz HLVKOSRUIIPKDI-VIFPVBQESA-N 1 0 195.310 2.307 10 0 AEAERO Cc1cc(C2([NH3+])CCC2)cc(N)c1C 259503433 573549629 /nfs/dbraw/zinc/54/96/29/573549629.db2.gz RCOOGNMXCRLPQJ-UHFFFAOYSA-N 1 0 190.290 2.224 10 0 AEAERO [NH3+][C@H]1C=C(c2cccc(F)c2)CC1 83548466 573549639 /nfs/dbraw/zinc/54/96/39/573549639.db2.gz LFTFWJBPCPCJKA-LLVKDONJSA-N 1 0 177.222 2.330 10 0 AEAERO C[C@H]([NH3+])c1c(F)ccc2c1CCC2 238438198 573549648 /nfs/dbraw/zinc/54/96/48/573549648.db2.gz SKMGGAXGULYAGK-ZETCQYMHSA-N 1 0 179.238 2.334 10 0 AEAERO [NH3+][C@@H]1C=C(c2cccc(F)c2)CC1 83548468 573549650 /nfs/dbraw/zinc/54/96/50/573549650.db2.gz LFTFWJBPCPCJKA-NSHDSACASA-N 1 0 177.222 2.330 10 0 AEAERO [NH3+][C@H]1C=C(c2ccc(F)c(F)c2)CC1 83548509 573549660 /nfs/dbraw/zinc/54/96/60/573549660.db2.gz MMIORWBNNXMRMU-SECBINFHSA-N 1 0 195.212 2.469 10 0 AEAERO c1sc(C2CCC2)nc1C1C[NH2+]C1 257825787 573549698 /nfs/dbraw/zinc/54/96/98/573549698.db2.gz HHVPRDJWRHSTGY-UHFFFAOYSA-N 1 0 194.303 2.097 10 0 AEAERO C[C@H]1CC[NH2+][C@@H](c2ccc(N)cc2)C1 238438284 573549717 /nfs/dbraw/zinc/54/97/17/573549717.db2.gz PEWGUXQNFWGGDY-JOYOIKCWSA-N 1 0 190.290 2.329 10 0 AEAERO [NH3+][C@@H]1CCC[C@@](O)(C2=CCCCC2)C1 236307871 573549766 /nfs/dbraw/zinc/54/97/66/573549766.db2.gz DLQXMVBGGSCRKC-NEPJUHHUSA-N 1 0 195.306 2.119 10 0 AEAERO CC[C@]1(c2ccccc2OC)CC[NH2+]1 258406565 573549772 /nfs/dbraw/zinc/54/97/72/573549772.db2.gz ZKJHSDSHVIRFRG-GFCCVEGCSA-N 1 0 191.274 2.294 10 0 AEAERO CCc1sc(C[NH3+])nc1CC(C)C 257825716 573549776 /nfs/dbraw/zinc/54/97/76/573549776.db2.gz FQNYXJNXQCXTDQ-UHFFFAOYSA-N 1 0 198.335 2.363 10 0 AEAERO [NH3+][C@H]1C=C(c2c(F)cccc2F)CC1 83548328 573549777 /nfs/dbraw/zinc/54/97/77/573549777.db2.gz IFKNJGCWAWJOJG-MRVPVSSYSA-N 1 0 195.212 2.469 10 0 AEAERO C[C@@H]1CC[C@](C)(c2cccc(O)c2)[NH2+]1 258062974 573549784 /nfs/dbraw/zinc/54/97/84/573549784.db2.gz SWAVLUNRGVYWJR-BXKDBHETSA-N 1 0 191.274 2.379 10 0 AEAERO [NH3+][C@H]1C=C(c2cc(F)cc(F)c2)CC1 83548224 573549787 /nfs/dbraw/zinc/54/97/87/573549787.db2.gz OEXBYYFIPVXSPL-LLVKDONJSA-N 1 0 195.212 2.469 10 0 AEAERO [NH3+]C[C@H](F)Sc1ccccc1 197393032 573549788 /nfs/dbraw/zinc/54/97/88/573549788.db2.gz PZGSPSATZQNASI-MRVPVSSYSA-N 1 0 171.240 2.033 10 0 AEAERO CC(C)C[C@H](O)C[C@H]1CCC[NH2+]CC1 257825676 573549801 /nfs/dbraw/zinc/54/98/01/573549801.db2.gz FOGKJHNCLQGVQA-RYUDHWBXSA-N 1 0 199.338 2.173 10 0 AEAERO C[NH2+]C(C)(C)[C@H](N)c1sccc1C 259503823 573549812 /nfs/dbraw/zinc/54/98/12/573549812.db2.gz UQBHZNKOVDCCOM-SECBINFHSA-N 1 0 198.335 2.054 10 0 AEAERO Cc1ccc(N[C@H]2CCC[NH2+]2)cc1 257826038 573549827 /nfs/dbraw/zinc/54/98/27/573549827.db2.gz HKOKHRSDDHFKSX-NSHDSACASA-N 1 0 176.263 2.116 10 0 AEAERO Cc1ccc(C2=C[C@H]([NH3+])CC2)cc1 83548099 573549880 /nfs/dbraw/zinc/54/98/80/573549880.db2.gz MQCJICRTMUBVRB-GFCCVEGCSA-N 1 0 173.259 2.500 10 0 AEAERO [NH3+][C@@H]1C=C(c2ccsc2)CC1 83547990 573549927 /nfs/dbraw/zinc/54/99/27/573549927.db2.gz UYCQWNXRICFKEF-VIFPVBQESA-N 1 0 165.261 2.253 10 0 AEAERO [NH3+]C[C@@H](F)Sc1ccccc1 197393020 573549971 /nfs/dbraw/zinc/54/99/71/573549971.db2.gz PZGSPSATZQNASI-QMMMGPOBSA-N 1 0 171.240 2.033 10 0 AEAERO CCc1cc([C@@H](C)[NH2+]C)nn1C(C)C 257826222 573550054 /nfs/dbraw/zinc/55/00/54/573550054.db2.gz HLVKOSRUIIPKDI-SECBINFHSA-N 1 0 195.310 2.307 10 0 AEAERO CCCOCC[NH2+][C@@H]1C[C@H]1CCC 233227863 573550066 /nfs/dbraw/zinc/55/00/66/573550066.db2.gz BMMWCSWXWMWROZ-GHMZBOCLSA-N 1 0 185.311 2.191 10 0 AEAERO CSc1ccc(NC[C@H](C)[NH3+])cc1 258771811 573550118 /nfs/dbraw/zinc/55/01/18/573550118.db2.gz OBZKDZULDBRBHP-QMMMGPOBSA-N 1 0 196.319 2.168 10 0 AEAERO C[C@H](c1cc(N)ccc1F)[NH+](C)C 257826030 573550164 /nfs/dbraw/zinc/55/01/64/573550164.db2.gz HJUAFIBFJWSKLX-SSDOTTSWSA-N 1 0 182.242 2.031 10 0 AEAERO CC(C)c1ccnc(C[C@H](C)[NH3+])c1 259122078 573554738 /nfs/dbraw/zinc/55/47/38/573554738.db2.gz FVAQCUSBTYFEGA-VIFPVBQESA-N 1 0 178.279 2.095 10 0 AEAERO C[C@H]([NH3+])c1cncc(C(F)(F)F)c1 95705869 573554791 /nfs/dbraw/zinc/55/47/91/573554791.db2.gz FOSLZNWVZVYSMY-YFKPBYRVSA-N 1 0 190.168 2.120 10 0 AEAERO CC(C)C[NH2+]Cc1ncc(C2CC2)o1 83555895 573554824 /nfs/dbraw/zinc/55/48/24/573554824.db2.gz AFORNQQTUHNBKF-UHFFFAOYSA-N 1 0 194.278 2.298 10 0 AEAERO Cc1ccc([C@H](C[NH3+])c2cc[nH]c2)o1 259120713 573554828 /nfs/dbraw/zinc/55/48/28/573554828.db2.gz LCBKOHNOIKKLBK-SNVBAGLBSA-N 1 0 190.246 2.007 10 0 AEAERO C[C@H]([NH3+])c1cc(F)c2c(c1)CCCO2 238439176 573554834 /nfs/dbraw/zinc/55/48/34/573554834.db2.gz JDYKKUKXYFXIFV-ZETCQYMHSA-N 1 0 195.237 2.170 10 0 AEAERO Cc1cccc(C[C@H](F)[C@H](C)[NH3+])c1 257826472 573554876 /nfs/dbraw/zinc/55/48/76/573554876.db2.gz HNFLCBAAAODWPH-ONGXEEELSA-N 1 0 181.254 2.223 10 0 AEAERO C[NH2+][C@H](C)c1ncc(C2CCC2)o1 83556255 573554930 /nfs/dbraw/zinc/55/49/30/573554930.db2.gz XXBZSSBYVWHZQL-SSDOTTSWSA-N 1 0 180.251 2.223 10 0 AEAERO COc1cc([C@H](C)[C@@H](C)[NH3+])ccc1F 82385108 573554965 /nfs/dbraw/zinc/55/49/65/573554965.db2.gz OXADGFMEKLBZJP-HTQZYQBOSA-N 1 0 197.253 2.285 10 0 AEAERO CC[C@H]1CC[C@H](C)[N@@H+]1CC(C)(C)O 124620672 573555004 /nfs/dbraw/zinc/55/50/04/573555004.db2.gz ROMNEIUAPOOKEQ-UWVGGRQHSA-N 1 0 185.311 2.020 10 0 AEAERO CCC[C@@H]([NH2+][C@H]1CCCOC1)C1CC1 126523541 573555048 /nfs/dbraw/zinc/55/50/48/573555048.db2.gz BXKGTTMZEJKJBW-NWDGAFQWSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@H](CC(F)F)CC1(C)C[NH2+]C1 688740847 573555061 /nfs/dbraw/zinc/55/50/61/573555061.db2.gz SJVJJZURMKNURD-ZETCQYMHSA-N 1 0 177.238 2.277 10 0 AEAERO C[NH2+][C@H](C)c1ncc(C(C)C)o1 83556039 573555087 /nfs/dbraw/zinc/55/50/87/573555087.db2.gz YQTGMSAHHQXDKI-SSDOTTSWSA-N 1 0 168.240 2.078 10 0 AEAERO C[C@H]([NH3+])c1cc(F)c2c(c1)CCC2 238439137 573555155 /nfs/dbraw/zinc/55/51/55/573555155.db2.gz GPBUXMNEAACYHB-ZETCQYMHSA-N 1 0 179.238 2.334 10 0 AEAERO Cc1cccc(C[C@@H](F)[C@H](C)[NH3+])c1 257826469 573555183 /nfs/dbraw/zinc/55/51/83/573555183.db2.gz HNFLCBAAAODWPH-GXSJLCMTSA-N 1 0 181.254 2.223 10 0 AEAERO CCC[C@H]([NH2+][C@@H]1CCCOC1)C1CC1 126522997 573555189 /nfs/dbraw/zinc/55/51/89/573555189.db2.gz BXKGTTMZEJKJBW-NEPJUHHUSA-N 1 0 197.322 2.334 10 0 AEAERO C[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 83556081 573555244 /nfs/dbraw/zinc/55/52/44/573555244.db2.gz XOLFMHKOOCQLSH-SSDOTTSWSA-N 1 0 182.267 2.253 10 0 AEAERO COc1ccc(C)cc1S[C@H](C)[NH3+] 259120774 573555249 /nfs/dbraw/zinc/55/52/49/573555249.db2.gz BVMAEYOLFFFGRA-MRVPVSSYSA-N 1 0 197.303 2.400 10 0 AEAERO C[NH2+]Cc1ncc(-c2ccsc2)o1 83555259 573555262 /nfs/dbraw/zinc/55/52/62/573555262.db2.gz PAOBOVLOPRYSRS-UHFFFAOYSA-N 1 0 194.259 2.123 10 0 AEAERO Cc1cccc(C[C@@H](F)[C@@H](C)[NH3+])c1 257826471 573555265 /nfs/dbraw/zinc/55/52/65/573555265.db2.gz HNFLCBAAAODWPH-MWLCHTKSSA-N 1 0 181.254 2.223 10 0 AEAERO Cc1ccc(NCCCC[NH3+])c(F)c1 259505019 573555352 /nfs/dbraw/zinc/55/53/52/573555352.db2.gz RBGSTNDELFFBBY-UHFFFAOYSA-N 1 0 196.269 2.285 10 0 AEAERO COc1ccc2c[nH+]c(C(C)C)n2c1 258060028 573555398 /nfs/dbraw/zinc/55/53/98/573555398.db2.gz UMBGAGADSQRMDZ-UHFFFAOYSA-N 1 0 190.246 2.466 10 0 AEAERO CC[NH2+][C@@H](CC(C)C)C[C@H]1CCOC1 130352399 573555399 /nfs/dbraw/zinc/55/53/99/573555399.db2.gz QKTNHDMKCOXPGG-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO CC[C@@H](C[NH3+])c1nccc(C(C)C)n1 259121374 573555449 /nfs/dbraw/zinc/55/54/49/573555449.db2.gz PPZITYORTQFYLF-VIFPVBQESA-N 1 0 193.294 2.052 10 0 AEAERO [NH3+][C@H]1CCC[C@@](O)(C2=CCCCC2)C1 236320293 573555469 /nfs/dbraw/zinc/55/54/69/573555469.db2.gz DLQXMVBGGSCRKC-RYUDHWBXSA-N 1 0 195.306 2.119 10 0 AEAERO [NH3+]C1(Cc2cccc(F)c2F)CCC1 83571206 573559945 /nfs/dbraw/zinc/55/99/45/573559945.db2.gz VRIHGLSXGAJORB-UHFFFAOYSA-N 1 0 197.228 2.389 10 0 AEAERO [NH3+][C@H](CC1CC1)c1ncccc1F 83574317 573559947 /nfs/dbraw/zinc/55/99/47/573559947.db2.gz JNOWMDMLPSZBEI-SECBINFHSA-N 1 0 180.226 2.021 10 0 AEAERO CC[NH2+]CC1(CC)CCC1 83570647 573560714 /nfs/dbraw/zinc/56/07/14/573560714.db2.gz OBSZMIXFFWKBLY-UHFFFAOYSA-N 1 0 141.258 2.176 10 0 AEAERO CN[C@@H](C[NH2+]C(C)C)c1cccs1 259509215 573559956 /nfs/dbraw/zinc/55/99/56/573559956.db2.gz SOJHEGUQQCIVRG-VIFPVBQESA-N 1 0 198.335 2.007 10 0 AEAERO CCC[NH2+][C@@H](CCC)c1ccn(C)n1 83574159 573559964 /nfs/dbraw/zinc/55/99/64/573559964.db2.gz QNRVQIHRIMBLNW-JTQLQIEISA-N 1 0 195.310 2.261 10 0 AEAERO C[C@@H]1CCC(C)(C)[C@H]1C[NH3+] 107396739 573559968 /nfs/dbraw/zinc/55/99/68/573559968.db2.gz RHRVXNCRYZEFDU-SFYZADRCSA-N 1 0 141.258 2.017 10 0 AEAERO C[NH2+]C[C@H]1CCNc2ccc(C)cc21 257830694 573559973 /nfs/dbraw/zinc/55/99/73/573559973.db2.gz JCVLMKIXGGPCGH-SNVBAGLBSA-N 1 0 190.290 2.114 10 0 AEAERO Cc1cnc(C[C@@H]2CCCC[NH2+]2)s1 257830724 573559978 /nfs/dbraw/zinc/55/99/78/573559978.db2.gz JECHMEIIWQJVFT-VIFPVBQESA-N 1 0 196.319 2.136 10 0 AEAERO CC[C@H](C)Nc1ccccc1C[NH3+] 86679542 573560021 /nfs/dbraw/zinc/56/00/21/573560021.db2.gz VYXWXWULHQOSNX-VIFPVBQESA-N 1 0 178.279 2.356 10 0 AEAERO C[C@H](C[NH3+])[C@@H](F)Cc1ccccc1F 308623143 573560086 /nfs/dbraw/zinc/56/00/86/573560086.db2.gz XTZUVDCPATTWAF-KCJUWKMLSA-N 1 0 199.244 2.301 10 0 AEAERO C[C@H]1CCC(C)(C)[C@H]1C[NH3+] 107396742 573560106 /nfs/dbraw/zinc/56/01/06/573560106.db2.gz RHRVXNCRYZEFDU-YUMQZZPRSA-N 1 0 141.258 2.017 10 0 AEAERO CCC[C@H]([NH3+])c1ccncc1F 83574335 573560119 /nfs/dbraw/zinc/56/01/19/573560119.db2.gz LKFRKBCLSVJZGD-VIFPVBQESA-N 1 0 168.215 2.021 10 0 AEAERO CCC[C@@H](CC)[NH2+]C[C@H](CO)C1CC1 308622175 573560185 /nfs/dbraw/zinc/56/01/85/573560185.db2.gz UKNGPYPRODUHMJ-VXGBXAGGSA-N 1 0 199.338 2.173 10 0 AEAERO CCC[C@@H]([NH2+]C[C@](C)(O)CC)C1CC1 126527988 573560253 /nfs/dbraw/zinc/56/02/53/573560253.db2.gz LNIXLISADONVQG-VXGBXAGGSA-N 1 0 199.338 2.316 10 0 AEAERO Cc1ncsc1CCC1([NH3+])CCC1 83571303 573560296 /nfs/dbraw/zinc/56/02/96/573560296.db2.gz RTEZCXFQWCASFO-UHFFFAOYSA-N 1 0 196.319 2.266 10 0 AEAERO C[C@@H]1CCC(C)(C)[C@@H]1C[NH3+] 107396736 573560424 /nfs/dbraw/zinc/56/04/24/573560424.db2.gz RHRVXNCRYZEFDU-HTQZYQBOSA-N 1 0 141.258 2.017 10 0 AEAERO C[C@@H](CC(C)(C)[NH3+])C1CC1 107396636 573560513 /nfs/dbraw/zinc/56/05/13/573560513.db2.gz TZZLNPIIVVSSRX-ZETCQYMHSA-N 1 0 141.258 2.160 10 0 AEAERO C[C@@H](C[NH3+])[C@@H](F)Cc1ccccc1F 308623144 573560532 /nfs/dbraw/zinc/56/05/32/573560532.db2.gz XTZUVDCPATTWAF-KWQFWETISA-N 1 0 199.244 2.301 10 0 AEAERO CCCC1(C[NH2+]C)CCC1 83570483 573560566 /nfs/dbraw/zinc/56/05/66/573560566.db2.gz LNFDWVGRFZKTMB-UHFFFAOYSA-N 1 0 141.258 2.176 10 0 AEAERO C[C@@H](C[NH3+])[C@H](F)Cc1ccccc1F 308623141 573560567 /nfs/dbraw/zinc/56/05/67/573560567.db2.gz XTZUVDCPATTWAF-GZMMTYOYSA-N 1 0 199.244 2.301 10 0 AEAERO CCCCC[C@](C)(O)C1(C[NH3+])CC1 393536313 573560573 /nfs/dbraw/zinc/56/05/73/573560573.db2.gz GEVVJCAOXJIAKM-JTQLQIEISA-N 1 0 185.311 2.057 10 0 AEAERO Cc1c(O)ccc([C@@H]2CC[NH2+]C2)c1C 258061785 573560652 /nfs/dbraw/zinc/56/06/52/573560652.db2.gz LJPREPMBDVVFQM-SNVBAGLBSA-N 1 0 191.274 2.086 10 0 AEAERO CC(C)=CC[NH2+][C@H]1CCC[C@H]1N(C)C 308621064 573560658 /nfs/dbraw/zinc/56/06/58/573560658.db2.gz TZLLVJFVSORZNT-NWDGAFQWSA-N 1 0 196.338 2.025 10 0 AEAERO COc1c(/C=C/C[NH3+])ccc(C)c1C 258061935 573565336 /nfs/dbraw/zinc/56/53/36/573565336.db2.gz LOJVDCIAYMVAMZ-SNAWJCMRSA-N 1 0 191.274 2.284 10 0 AEAERO CCC1([C@@H]2CC[NH2+]C2)CCC1 107398472 573565352 /nfs/dbraw/zinc/56/53/52/573565352.db2.gz DSQPCGMMZRSMNQ-SECBINFHSA-N 1 0 153.269 2.176 10 0 AEAERO CCC[NH2+][C@H](C)[C@@H](C)OCC(F)F 130503416 573565354 /nfs/dbraw/zinc/56/53/54/573565354.db2.gz RFXHPYWPVSWYPA-HTQZYQBOSA-N 1 0 195.253 2.045 10 0 AEAERO C[NH2+]CC1C[C@@H]2CCC[C@H]2C1 107398628 573565362 /nfs/dbraw/zinc/56/53/62/573565362.db2.gz KSGABBWFSJENRO-UWVGGRQHSA-N 1 0 153.269 2.032 10 0 AEAERO CC1(C)CC[C@@H]2[NH2+]CCC[C@H]21 107398533 573565372 /nfs/dbraw/zinc/56/53/72/573565372.db2.gz UCMGCUPCLXTHSW-BDAKNGLRSA-N 1 0 153.269 2.175 10 0 AEAERO Nc1ccc(C[NH2+]C2CCC2)c(F)c1 236357461 573565378 /nfs/dbraw/zinc/56/53/78/573565378.db2.gz XDHOUFPZLWEAHH-UHFFFAOYSA-N 1 0 194.253 2.050 10 0 AEAERO C[C@@H]([NH3+])[C@H]1CCCC12CCC2 107398615 573565409 /nfs/dbraw/zinc/56/54/09/573565409.db2.gz MYFXXJTUBSCKKA-RKDXNWHRSA-N 1 0 153.269 2.304 10 0 AEAERO C[C@@H](CC[NH+](C)C)C(F)(F)F 238432407 573565412 /nfs/dbraw/zinc/56/54/12/573565412.db2.gz WHXOUOLTFVBETN-LURJTMIESA-N 1 0 169.190 2.137 10 0 AEAERO Cc1ccccc1/C=C/C1([NH3+])CC1 257831134 573565438 /nfs/dbraw/zinc/56/54/38/573565438.db2.gz JNIWDNSWPJHXNC-VOTSOKGWSA-N 1 0 173.259 2.500 10 0 AEAERO [NH3+]C[C@@H]1CCC[C@@H]2CCC[C@@H]21 107398657 573565452 /nfs/dbraw/zinc/56/54/52/573565452.db2.gz RXUMGJQVGQHXGW-UTLUCORTSA-N 1 0 153.269 2.162 10 0 AEAERO CC1(C)C[C@H]2CCC[NH2+][C@@H]2C1 107398536 573565464 /nfs/dbraw/zinc/56/54/64/573565464.db2.gz LEHOCRHKNFQPDH-RKDXNWHRSA-N 1 0 153.269 2.175 10 0 AEAERO CC1(C)C[C@@H]2CCC[NH2+][C@H]2C1 107398539 573565472 /nfs/dbraw/zinc/56/54/72/573565472.db2.gz LEHOCRHKNFQPDH-IUCAKERBSA-N 1 0 153.269 2.175 10 0 AEAERO Cc1ccc(SC[C@H](F)C[NH3+])cc1 257831701 573565545 /nfs/dbraw/zinc/56/55/45/573565545.db2.gz HQMGUUZKFSQZGJ-SECBINFHSA-N 1 0 199.294 2.384 10 0 AEAERO c1ccc2c(c1)CC[N@H+]1C[C@@H]3C[C@@H]3[C@@H]21 257831106 573565556 /nfs/dbraw/zinc/56/55/56/573565556.db2.gz JMIPOUPZNDXKPA-WCFLWFBJSA-N 1 0 185.270 2.236 10 0 AEAERO CCc1cc([C@@H](C)[NH3+])nn1C(C)(C)C 257831433 573565574 /nfs/dbraw/zinc/56/55/74/573565574.db2.gz JKBHWLRTDYNMPH-MRVPVSSYSA-N 1 0 195.310 2.220 10 0 AEAERO CC[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 393537043 573565689 /nfs/dbraw/zinc/56/56/89/573565689.db2.gz IEHJGPZCWVOYMZ-GHMZBOCLSA-N 1 0 185.311 2.190 10 0 AEAERO CCO[C@@H]1C[C@H]1[NH2+][C@H]1CCC12CCC2 308624121 573565708 /nfs/dbraw/zinc/56/57/08/573565708.db2.gz VHQRNEWNUXQPTN-MXWKQRLJSA-N 1 0 195.306 2.086 10 0 AEAERO CC[C@H]([NH3+])c1ccc(NC(C)=O)cc1 75416900 573565740 /nfs/dbraw/zinc/56/57/40/573565740.db2.gz HCPMUXOOYDXPAC-NSHDSACASA-N 1 0 192.262 2.055 10 0 AEAERO CC(C)Nc1ccc(CC[NH3+])cc1 86682015 573565743 /nfs/dbraw/zinc/56/57/43/573565743.db2.gz IBYOLRKGUKPCJP-UHFFFAOYSA-N 1 0 178.279 2.008 10 0 AEAERO Cc1ccc2c(c1)C[C@@H](C)[C@H]2[NH3+] 107400727 573565757 /nfs/dbraw/zinc/56/57/57/573565757.db2.gz FIXWYFJKHRFLPL-LDYMZIIASA-N 1 0 161.248 2.187 10 0 AEAERO C[NH2+][C@@H](C)c1onc2ccccc12 257831506 573565771 /nfs/dbraw/zinc/56/57/71/573565771.db2.gz JRNQXJAFPIKMLQ-ZETCQYMHSA-N 1 0 176.219 2.108 10 0 AEAERO CCC(CC)C[C@H](F)CC[NH3+] 130428233 573565780 /nfs/dbraw/zinc/56/57/80/573565780.db2.gz UZXPBCUGVIHWDX-SECBINFHSA-N 1 0 161.264 2.500 10 0 AEAERO c1cc2c(o1)CC[C@H]2[NH2+]C1CC1 107401368 573565833 /nfs/dbraw/zinc/56/58/33/573565833.db2.gz NSCCBAJMZHGMBJ-SECBINFHSA-N 1 0 163.220 2.019 10 0 AEAERO C(=C\[C@@H]1CCCOC1)\CC[NH2+]C1CC1 308625294 573565841 /nfs/dbraw/zinc/56/58/41/573565841.db2.gz KIHXJJJQFRRFOL-PNDGHQIGSA-N 1 0 195.306 2.111 10 0 AEAERO C[C@H]([NH3+])c1cccc2cccc(N)c12 238432303 573565845 /nfs/dbraw/zinc/56/58/45/573565845.db2.gz MDWOITQHSJRYGV-QMMMGPOBSA-N 1 0 186.258 2.442 10 0 AEAERO COCCCC[NH2+][C@H]1CC[C@@H]1C(C)C 308625987 573565914 /nfs/dbraw/zinc/56/59/14/573565914.db2.gz WFIUJCDJWOZDMR-NEPJUHHUSA-N 1 0 199.338 2.437 10 0 AEAERO C[NH2+][C@@H](C)c1cccc(N(C)C)c1 86680882 573565924 /nfs/dbraw/zinc/56/59/24/573565924.db2.gz AZYBNOIAQSAUCT-VIFPVBQESA-N 1 0 178.279 2.033 10 0 AEAERO COCCCC[NH2+][C@@H]1CC[C@@H]1C(C)C 308625990 573565933 /nfs/dbraw/zinc/56/59/33/573565933.db2.gz WFIUJCDJWOZDMR-VXGBXAGGSA-N 1 0 199.338 2.437 10 0 AEAERO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H](CC)C1 308623746 573565963 /nfs/dbraw/zinc/56/59/63/573565963.db2.gz VELDBQHROZETFJ-WHOHXGKFSA-N 1 0 197.322 2.332 10 0 AEAERO C[NH2+]C[C@H]1CC[C@H]1c1cccc(O)c1 257831130 573565968 /nfs/dbraw/zinc/56/59/68/573565968.db2.gz JFFFIAQKDZTXQS-PWSUYJOCSA-N 1 0 191.274 2.105 10 0 AEAERO CC[C@@H]([NH3+])[C@@H](O)c1c(C)cccc1C 95786920 573565976 /nfs/dbraw/zinc/56/59/76/573565976.db2.gz MMOPDYAQOPXTJT-ZYHUDNBSSA-N 1 0 193.290 2.074 10 0 AEAERO COc1ccccc1[C@H](F)[C@H]1CC[NH2+]1 257831535 573565328 /nfs/dbraw/zinc/56/53/28/573565328.db2.gz JLECPFAILICHQA-KOLCDFICSA-N 1 0 195.237 2.068 10 0 AEAERO CCO[C@](C)(CC[NH3+])CC1CCC1 257831890 573568343 /nfs/dbraw/zinc/56/83/43/573568343.db2.gz JUKYDRBWWMMTBB-LLVKDONJSA-N 1 0 185.311 2.321 10 0 AEAERO C[NH2+][C@@H](C)[C@@H](F)c1cccc(OC)c1 257831955 573568384 /nfs/dbraw/zinc/56/83/84/573568384.db2.gz JQAATLKASBQVQJ-GZMMTYOYSA-N 1 0 197.253 2.314 10 0 AEAERO CCC[NH2+][C@@H](C)[C@@H](C)OCC(F)F 130503166 573568386 /nfs/dbraw/zinc/56/83/86/573568386.db2.gz RFXHPYWPVSWYPA-JGVFFNPUSA-N 1 0 195.253 2.045 10 0 AEAERO CCc1noc2cc([C@@H](C)[NH3+])ccc12 257831855 573568418 /nfs/dbraw/zinc/56/84/18/573568418.db2.gz JOEYAAFORHJNHB-SSDOTTSWSA-N 1 0 190.246 2.410 10 0 AEAERO CCCC[N@@H+]1CCC[C@@H](O)C1(C)C 258779592 573568424 /nfs/dbraw/zinc/56/84/24/573568424.db2.gz LWHZXSRCOCVOSM-SNVBAGLBSA-N 1 0 185.311 2.022 10 0 AEAERO CC(C)[C@@H]1C[C@@]1([NH3+])CC1CC1 211914696 573568434 /nfs/dbraw/zinc/56/84/34/573568434.db2.gz JGIYABWCLQYOSQ-UWVGGRQHSA-N 1 0 153.269 2.160 10 0 AEAERO [NH3+]C1(CC[C@H]2CC[C@H](F)C2)CC1 257832328 573568475 /nfs/dbraw/zinc/56/84/75/573568475.db2.gz JZORQSSBTYOLJA-BDAKNGLRSA-N 1 0 171.259 2.396 10 0 AEAERO CC(C)[C@@H]1CCC[C@]([NH3+])(CCO)CC1 83617885 573568481 /nfs/dbraw/zinc/56/84/81/573568481.db2.gz APFUSYKBCIMJFN-VXGBXAGGSA-N 1 0 199.338 2.303 10 0 AEAERO C[C@@H]([NH3+])C[C@H]1CC12CCCC2 211911484 573568504 /nfs/dbraw/zinc/56/85/04/573568504.db2.gz WCHAXOHZFFRIAY-BDAKNGLRSA-N 1 0 153.269 2.304 10 0 AEAERO CCC[NH2+]C1(CCO)CCC(C)CC1 83616567 573568511 /nfs/dbraw/zinc/56/85/11/573568511.db2.gz BOPVJPCAXZBNIX-UHFFFAOYSA-N 1 0 199.338 2.317 10 0 AEAERO C[NH2+]CC1=CCCc2ccc(F)cc21 257831984 573568528 /nfs/dbraw/zinc/56/85/28/573568528.db2.gz JQCXABPPJZLVPD-UHFFFAOYSA-N 1 0 191.249 2.375 10 0 AEAERO F[C@@H]1CCCC[C@@]12CCC[NH2+]C2 257832365 573568551 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198.310 2.265 10 0 AEAERO CC(C)[NH2+][C@@H]1COc2cc(F)ccc21 87016144 573744457 /nfs/dbraw/zinc/74/44/57/573744457.db2.gz FHCWOMQUFDCVTJ-SNVBAGLBSA-N 1 0 195.237 2.257 10 0 AEAERO [NH3+]C/C=C/c1ccc(O)c(Cl)c1 258116071 573744463 /nfs/dbraw/zinc/74/44/63/573744463.db2.gz QCOPHAKVFOHZJR-OWOJBTEDSA-N 1 0 183.638 2.018 10 0 AEAERO C[C@H]1C[C@@H]1[NH2+]C/C=C/c1ccco1 127035483 573744468 /nfs/dbraw/zinc/74/44/68/573744468.db2.gz KJZHSZBHDPKRHJ-IFUPNLNKSA-N 1 0 177.247 2.291 10 0 AEAERO COc1ccc2c(c1[C@@H](C)[NH3+])CCC2 108301811 573744526 /nfs/dbraw/zinc/74/45/26/573744526.db2.gz SRULCNJSVXMMAP-MRVPVSSYSA-N 1 0 191.274 2.204 10 0 AEAERO Cc1cc([C@@](C)(F)C[NH3+])ccc1F 108297820 573744538 /nfs/dbraw/zinc/74/45/38/573744538.db2.gz QANCOKSCJXTXOO-JTQLQIEISA-N 1 0 185.217 2.278 10 0 AEAERO Cc1ccc2c(c1Cl)[C@@H]([NH3+])CCO2 238500759 573744542 /nfs/dbraw/zinc/74/45/42/573744542.db2.gz CZLXTUMKZOIGSX-ZETCQYMHSA-N 1 0 197.665 2.431 10 0 AEAERO CC[C@H](C[NH2+][C@H](C)COC)C(C)C 393560813 573744551 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/nfs/dbraw/zinc/83/21/51/573832151.db2.gz PMPJNDIXFBFKQB-QMMMGPOBSA-N 1 0 141.258 2.160 10 0 AEAERO CC[C@@H](C[NH3+])Oc1ccc(C)cc1C 43541462 573832176 /nfs/dbraw/zinc/83/21/76/573832176.db2.gz RBSXYLMYPLJKHH-NSHDSACASA-N 1 0 193.290 2.420 10 0 AEAERO C[C@H]1CCC[C@@H]1C[NH2+]C1CC1 84326801 573832186 /nfs/dbraw/zinc/83/21/86/573832186.db2.gz VPMUDTNRZCHEAM-DTWKUNHWSA-N 1 0 153.269 2.175 10 0 AEAERO Cc1ccc2c(O)cc(C[NH3+])cc2c1 257885069 573832187 /nfs/dbraw/zinc/83/21/87/573832187.db2.gz MOIBVDUEOZYNLA-UHFFFAOYSA-N 1 0 187.242 2.313 10 0 AEAERO C[NH2+][C@@H]1CC[C@H]1c1ccc(F)cc1 257886292 573832255 /nfs/dbraw/zinc/83/22/55/573832255.db2.gz MRBLLKWINKNUSO-WDEREUQCSA-N 1 0 179.238 2.291 10 0 AEAERO CC(C)(C)[NH2+]C[C@H]1CCCOCC1 84327394 573832325 /nfs/dbraw/zinc/83/23/25/573832325.db2.gz DPWVAWZXNZIVMC-JTQLQIEISA-N 1 0 185.311 2.191 10 0 AEAERO CC[C@H]1c2cccc(O)c2CC[C@@H]1[NH3+] 258143833 573832338 /nfs/dbraw/zinc/83/23/38/573832338.db2.gz KZOQJXPTQIMXLD-KWQFWETISA-N 1 0 191.274 2.159 10 0 AEAERO CC(C)([NH3+])c1cccc(F)c1CF 258143069 573832342 /nfs/dbraw/zinc/83/23/42/573832342.db2.gz STFAKBSBVUMBTA-UHFFFAOYSA-N 1 0 185.217 2.489 10 0 AEAERO COc1cc(C)c(F)cc1[C@H](C)[NH3+] 87225007 573832360 /nfs/dbraw/zinc/83/23/60/573832360.db2.gz LAJWCPRXJCXEBG-ZETCQYMHSA-N 1 0 183.226 2.162 10 0 AEAERO C[C@H](C[NH3+])c1ccc2c(c1F)CCC2 258142904 573832376 /nfs/dbraw/zinc/83/23/76/573832376.db2.gz SQMRMYXYSSBTOS-MRVPVSSYSA-N 1 0 193.265 2.377 10 0 AEAERO Cc1ccsc1[C@H]([NH3+])C(C)(C)C[NH3+] 259207227 573832377 /nfs/dbraw/zinc/83/23/77/573832377.db2.gz GHSNJKARERENIJ-VIFPVBQESA-N 1 0 198.335 2.041 10 0 AEAERO Cc1cc(CC2([NH3+])CC2)c(C)cc1F 258143005 573832383 /nfs/dbraw/zinc/83/23/83/573832383.db2.gz SRXWNWPCJPEKAB-UHFFFAOYSA-N 1 0 193.265 2.476 10 0 AEAERO CC[C@@H](C)C1([NH3+])CCCC1 84327609 573832418 /nfs/dbraw/zinc/83/24/18/573832418.db2.gz POSDJRLQJQBQNS-MRVPVSSYSA-N 1 0 141.258 2.304 10 0 AEAERO C[C@@H]1C[C@H](C[C@@H]2CCSC2)C[NH2+]1 258144642 573832419 /nfs/dbraw/zinc/83/24/19/573832419.db2.gz JYVMFSFEKHXTHU-KXUCPTDWSA-N 1 0 185.336 2.128 10 0 AEAERO CC[C@H](C[NH3+])Oc1ccc(C)cc1C 43541463 573832438 /nfs/dbraw/zinc/83/24/38/573832438.db2.gz RBSXYLMYPLJKHH-LLVKDONJSA-N 1 0 193.290 2.420 10 0 AEAERO CC[C@H]([NH3+])[C@@H](O)C1CCCCCC1 84328269 573832463 /nfs/dbraw/zinc/83/24/63/573832463.db2.gz VSNFPDHORQZTAG-QWRGUYRKSA-N 1 0 185.311 2.055 10 0 AEAERO CC[C@@H](C)[C@@H]([NH2+]C)c1nccs1 41060440 573832542 /nfs/dbraw/zinc/83/25/42/573832542.db2.gz FNLDRANEQVQSDG-HTQZYQBOSA-N 1 0 184.308 2.450 10 0 AEAERO Nc1[nH+]ccn1CC1CCCCCC1 84328436 573832545 /nfs/dbraw/zinc/83/25/45/573832545.db2.gz BWVATMCTHPREON-UHFFFAOYSA-N 1 0 193.294 2.436 10 0 AEAERO C[NH2+][C@@H](C)c1cc(F)c(C)cc1OC 87225010 573832592 /nfs/dbraw/zinc/83/25/92/573832592.db2.gz FPUJDPBVMZCWIO-QMMMGPOBSA-N 1 0 197.253 2.423 10 0 AEAERO Cc1ccsc1[C@@H]([NH3+])C(C)(C)C[NH3+] 259207222 573832597 /nfs/dbraw/zinc/83/25/97/573832597.db2.gz GHSNJKARERENIJ-SECBINFHSA-N 1 0 198.335 2.041 10 0 AEAERO CC[N@H+](C)CC1(C[NH3+])CCCCCC1 84330044 573832619 /nfs/dbraw/zinc/83/26/19/573832619.db2.gz NLOQEFRJQSDOML-UHFFFAOYSA-N 1 0 198.354 2.237 10 0 AEAERO C[NH2+][C@@H](c1cncs1)C(C)C 84331896 573835242 /nfs/dbraw/zinc/83/52/42/573835242.db2.gz CGXFZAMPPYIGDC-MRVPVSSYSA-N 1 0 170.281 2.060 10 0 AEAERO [NH3+]C1(Cc2ccoc2)CCCC1 84330434 573835313 /nfs/dbraw/zinc/83/53/13/573835313.db2.gz WEZITZYRHFYXDM-UHFFFAOYSA-N 1 0 165.236 2.094 10 0 AEAERO CC[C@H](C[NH3+])Oc1ccc(C)c(C)c1 43541571 573835384 /nfs/dbraw/zinc/83/53/84/573835384.db2.gz QUUATVWMPBHJIG-LLVKDONJSA-N 1 0 193.290 2.420 10 0 AEAERO C[C@H]1c2c(O)cccc2CC[C@@H]1C[NH3+] 258152869 573835406 /nfs/dbraw/zinc/83/54/06/573835406.db2.gz LKFUODIBDRTLSJ-PSASIEDQSA-N 1 0 191.274 2.017 10 0 AEAERO CC(C)([NH3+])C[C@H]1Cc2ccccc2N1 238141330 573835425 /nfs/dbraw/zinc/83/54/25/573835425.db2.gz DUSGOESTPOQUTD-SNVBAGLBSA-N 1 0 190.290 2.151 10 0 AEAERO Cc1cc(N(C)C)c([C@H](C)[NH3+])cc1F 87224963 573835438 /nfs/dbraw/zinc/83/54/38/573835438.db2.gz PDXIIZWQSMZKRH-QMMMGPOBSA-N 1 0 196.269 2.220 10 0 AEAERO Cc1cc(Cl)c2c(c1)C[NH2+]C2 238532818 573835451 /nfs/dbraw/zinc/83/54/51/573835451.db2.gz CEQJJSUOJFIKJJ-UHFFFAOYSA-N 1 0 167.639 2.252 10 0 AEAERO Cc1cc2c(o1)CC[NH2+][C@H]2C1CC1 84333691 573835458 /nfs/dbraw/zinc/83/54/58/573835458.db2.gz CQGBIEJEAATKML-NSHDSACASA-N 1 0 177.247 2.185 10 0 AEAERO Cc1cc(C=O)c(C(C)(C)[NH3+])cc1F 258152932 573835476 /nfs/dbraw/zinc/83/54/76/573835476.db2.gz UGBUMYQRAXRFJU-UHFFFAOYSA-N 1 0 195.237 2.140 10 0 AEAERO Cc1cc(F)c(C2CC([NH3+])C2)cc1F 87220912 573835529 /nfs/dbraw/zinc/83/55/29/573835529.db2.gz SQOORDIADNRZMO-UHFFFAOYSA-N 1 0 197.228 2.478 10 0 AEAERO CC[C@@H](C[NH2+]C1CCOCC1)C(C)C 308756930 573835538 /nfs/dbraw/zinc/83/55/38/573835538.db2.gz WTIOWFHXKRMRIF-NSHDSACASA-N 1 0 199.338 2.437 10 0 AEAERO Cc1ccc(CC2([NH3+])CC2)s1 84331282 573835542 /nfs/dbraw/zinc/83/55/42/573835542.db2.gz AYWXCGRQUXOXSV-UHFFFAOYSA-N 1 0 167.277 2.090 10 0 AEAERO C[C@H](C[NH3+])[C@@H](C)CCC1CCOCC1 308762507 573835573 /nfs/dbraw/zinc/83/55/73/573835573.db2.gz YRGVREVZKFPBHE-WDEREUQCSA-N 1 0 199.338 2.424 10 0 AEAERO CC[C@@H](C[NH3+])Oc1ccc(C)cc1 43541662 573835593 /nfs/dbraw/zinc/83/55/93/573835593.db2.gz KFFBQMVPIPRUIC-JTQLQIEISA-N 1 0 179.263 2.111 10 0 AEAERO CC[NH2+][C@@H]1CCCc2c(N)cccc21 257887523 573835594 /nfs/dbraw/zinc/83/55/94/573835594.db2.gz WNKDMIWVWXKIHF-GFCCVEGCSA-N 1 0 190.290 2.256 10 0 AEAERO c1cc(CC2CC[NH2+]CC2)cs1 84336478 573835645 /nfs/dbraw/zinc/83/56/45/573835645.db2.gz NJWROYCJMWCXFX-UHFFFAOYSA-N 1 0 181.304 2.290 10 0 AEAERO CC[C@@H](CO)[C@H]([NH2+]C)C1CCCCC1 259208442 573835648 /nfs/dbraw/zinc/83/56/48/573835648.db2.gz LIXICCGOMDYGHQ-JQWIXIFHSA-N 1 0 199.338 2.173 10 0 AEAERO Cc1cc(NC2CC(C)C2)[nH+]cc1N 122853700 573835667 /nfs/dbraw/zinc/83/56/67/573835667.db2.gz ZXDFTQJCUUQYCN-UHFFFAOYSA-N 1 0 191.278 2.183 10 0 AEAERO CC[C@H](CCC1CCOCC1)C[NH2+]C 308756221 573835676 /nfs/dbraw/zinc/83/56/76/573835676.db2.gz WNHWOACCWOOFLY-LLVKDONJSA-N 1 0 199.338 2.439 10 0 AEAERO C[C@@H](CCC1CCOCC1)[C@@H](C)C[NH3+] 308762506 573835698 /nfs/dbraw/zinc/83/56/98/573835698.db2.gz YRGVREVZKFPBHE-QWRGUYRKSA-N 1 0 199.338 2.424 10 0 AEAERO Cc1cc(Cl)c([C@H]([NH3+])C2CC2)cn1 238532189 573835726 /nfs/dbraw/zinc/83/57/26/573835726.db2.gz JEWIWTSUTWUDKH-SNVBAGLBSA-N 1 0 196.681 2.453 10 0 AEAERO CC(C)C[C@@H]([NH3+])c1ccc(N)cc1F 238140982 573835738 /nfs/dbraw/zinc/83/57/38/573835738.db2.gz HXSVPUZIUJTVOB-LLVKDONJSA-N 1 0 196.269 2.454 10 0 AEAERO C[NH2+][C@H]([C@@H](C)CC(C)C)[C@@H]1CCOC1 308449391 573835749 /nfs/dbraw/zinc/83/57/49/573835749.db2.gz BQUNYQPOHKICSA-QJPTWQEYSA-N 1 0 199.338 2.293 10 0 AEAERO Cc1nc(-c2ccc(C=O)s2)c[nH]1 238532651 573835809 /nfs/dbraw/zinc/83/58/09/573835809.db2.gz XOGQYTLWTFEFHV-UHFFFAOYSA-N 1 0 192.243 2.259 10 0 AEAERO C[C@H]([NH3+])C[C@@H]1COc2cccc(F)c21 258152558 573835833 /nfs/dbraw/zinc/83/58/33/573835833.db2.gz RBFLKCOAWVCLOB-JGVFFNPUSA-N 1 0 195.237 2.039 10 0 AEAERO [NH3+]Cc1cncc(C2CCCC2)c1 257887254 573835883 /nfs/dbraw/zinc/83/58/83/573835883.db2.gz MTBPISLCRIYKSX-UHFFFAOYSA-N 1 0 176.263 2.198 10 0 AEAERO CCCc1nc(C2CC([NH3+])C2)cs1 259207074 573835887 /nfs/dbraw/zinc/83/58/87/573835887.db2.gz HSWBWVDRODQQCE-UHFFFAOYSA-N 1 0 196.319 2.300 10 0 AEAERO CC[C@@H](C[NH3+])Oc1ccc(C)c(C)c1 43541570 573835966 /nfs/dbraw/zinc/83/59/66/573835966.db2.gz QUUATVWMPBHJIG-NSHDSACASA-N 1 0 193.290 2.420 10 0 AEAERO CC[C@H](O)C[NH2+]C1(C)CCCCCC1 308762105 573835995 /nfs/dbraw/zinc/83/59/95/573835995.db2.gz YKUODRRFKIGYSW-NSHDSACASA-N 1 0 199.338 2.460 10 0 AEAERO CC[C@@H](CO)[C@H]([NH3+])c1ccccc1C 259573367 573836034 /nfs/dbraw/zinc/83/60/34/573836034.db2.gz VTIINMRQPBFUIP-JQWIXIFHSA-N 1 0 193.290 2.013 10 0 AEAERO CC(C)(C)[C@@H]([NH3+])c1ccc(N)c(F)c1 238140541 573837373 /nfs/dbraw/zinc/83/73/73/573837373.db2.gz QLGNBJCDFBFGGT-JTQLQIEISA-N 1 0 196.269 2.454 10 0 AEAERO CC[C@@](O)(C1C[NH2+]C1)[C@@H](C)CC(C)C 716230818 573837422 /nfs/dbraw/zinc/83/74/22/573837422.db2.gz NEJLYGUODUAJFO-JQWIXIFHSA-N 1 0 199.338 2.029 10 0 AEAERO COc1c(C)cc(F)cc1/C=C/C[NH3+] 258153010 573837436 /nfs/dbraw/zinc/83/74/36/573837436.db2.gz UHWKGDWATQBPTK-ONEGZZNKSA-N 1 0 195.237 2.115 10 0 AEAERO C[C@H]1C[NH2+]C[C@@H](C2CCCCCC2)O1 84330717 573837444 /nfs/dbraw/zinc/83/74/44/573837444.db2.gz TWQDBQHPFVTTRI-JQWIXIFHSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@H]1C[NH2+]C[C@H](C2CCCCCC2)O1 84330711 573837458 /nfs/dbraw/zinc/83/74/58/573837458.db2.gz TWQDBQHPFVTTRI-ZYHUDNBSSA-N 1 0 197.322 2.334 10 0 AEAERO [NH3+]Cc1ccc2c(C3CC3)noc2c1 257886605 573837463 /nfs/dbraw/zinc/83/74/63/573837463.db2.gz WJRNOZGSHUVMHE-UHFFFAOYSA-N 1 0 188.230 2.164 10 0 AEAERO C[C@H]([NH3+])C[C@H]1COc2cccc(F)c21 258152566 573837496 /nfs/dbraw/zinc/83/74/96/573837496.db2.gz RBFLKCOAWVCLOB-YUMQZZPRSA-N 1 0 195.237 2.039 10 0 AEAERO CC1CCC([C@@H]2C[C@H]2[NH3+])CC1 84339732 573837499 /nfs/dbraw/zinc/83/74/99/573837499.db2.gz DZSFRKOLAPJNTK-HORUIINNSA-N 1 0 153.269 2.160 10 0 AEAERO Cc1cc(C)c([C@H]([NH3+])N(C)C)c(C)c1 259573558 573837566 /nfs/dbraw/zinc/83/75/66/573837566.db2.gz PJVXACJITXNTNE-GFCCVEGCSA-N 1 0 192.306 2.131 10 0 AEAERO C[NH2+][C@]1(C)CCCC[C@H]1C 79463101 573837577 /nfs/dbraw/zinc/83/75/77/573837577.db2.gz MYJIAFCIDRFRCX-RKDXNWHRSA-N 1 0 141.258 2.175 10 0 AEAERO CC(C)C[C@@H]([NH3+])c1ccc(N)c(F)c1 238140947 573837583 /nfs/dbraw/zinc/83/75/83/573837583.db2.gz WYHTXDOZONNCHC-LLVKDONJSA-N 1 0 196.269 2.454 10 0 AEAERO CC[C@H](C[NH3+])SCc1ccco1 43542373 573837593 /nfs/dbraw/zinc/83/75/93/573837593.db2.gz MPIAQWKIQXTWBE-SECBINFHSA-N 1 0 185.292 2.250 10 0 AEAERO C[NH2+][C@@H](C(C)(C)C)[C@]1(C)CCCO1 87228332 573837620 /nfs/dbraw/zinc/83/76/20/573837620.db2.gz KSJKOAPTRCMLKL-ONGXEEELSA-N 1 0 185.311 2.190 10 0 AEAERO C[C@@]1([C@H]([NH3+])C2CCCCC2)CCCO1 87228090 573837640 /nfs/dbraw/zinc/83/76/40/573837640.db2.gz LJSLHDDCTJLZQM-NEPJUHHUSA-N 1 0 197.322 2.463 10 0 AEAERO CC[C@H](CO)[C@@H]([NH3+])c1ccccc1C 259573372 573837671 /nfs/dbraw/zinc/83/76/71/573837671.db2.gz VTIINMRQPBFUIP-ZYHUDNBSSA-N 1 0 193.290 2.013 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HPCCHLMDZKYXQX-ZYHUDNBSSA-N 1 0 197.322 2.334 10 0 AEAERO CC(=O)[C@@H]1CC[C@H]2[NH2+]CCCC[C@@H]2C1 238175607 573901515 /nfs/dbraw/zinc/90/15/15/573901515.db2.gz BYSVIZMJTFRPMT-IJLUTSLNSA-N 1 0 195.306 2.134 10 0 AEAERO CCC(C)(C)C[NH2+]CC[C@H](C)OC 393569106 573901531 /nfs/dbraw/zinc/90/15/31/573901531.db2.gz RZXCKCWDLZGCFU-JTQLQIEISA-N 1 0 187.327 2.437 10 0 AEAERO C[C@]1(C2CCCCC2)C[C@@H](O)CC[NH2+]1 258176201 573901542 /nfs/dbraw/zinc/90/15/42/573901542.db2.gz UPZGWPFFSSXHQJ-NWDGAFQWSA-N 1 0 197.322 2.070 10 0 AEAERO CC(C)[C@H]1[NH2+]CCN1c1ccccc1 238175753 573901586 /nfs/dbraw/zinc/90/15/86/573901586.db2.gz RQKRLDLYJOPBSW-LBPRGKRZSA-N 1 0 190.290 2.078 10 0 AEAERO CC1(C)[C@@H](C[NH3+])[C@H]1c1cccs1 76606037 573901665 /nfs/dbraw/zinc/90/16/65/573901665.db2.gz GESKBVZRLGNLGV-CBAPKCEASA-N 1 0 181.304 2.446 10 0 AEAERO [NH3+]CC1(Cc2nccs2)CCCC1 87396687 573901705 /nfs/dbraw/zinc/90/17/05/573901705.db2.gz MEGUFFCEYYTESB-UHFFFAOYSA-N 1 0 196.319 2.205 10 0 AEAERO CC(C)[C@@H]1[NH2+]Cc2ccccc2O1 238189618 573901726 /nfs/dbraw/zinc/90/17/26/573901726.db2.gz ZGMYKHHZPUDGDM-LLVKDONJSA-N 1 0 177.247 2.151 10 0 AEAERO CC(C)[C@H]1C[C@@]12CCC[NH2+]C2 259231449 573901730 /nfs/dbraw/zinc/90/17/30/573901730.db2.gz KHQWQLVWQXSBQF-NXEZZACHSA-N 1 0 153.269 2.032 10 0 AEAERO C[C@](F)(c1ccc(F)cc1)[C@@H]1CC[NH2+]1 257902875 573901740 /nfs/dbraw/zinc/90/17/40/573901740.db2.gz ZAQOHEMSOFLTEH-QWRGUYRKSA-N 1 0 197.228 2.372 10 0 AEAERO Cc1csc(C[C@@H]2CC[C@@H]([NH3+])C2)n1 87397514 573902671 /nfs/dbraw/zinc/90/26/71/573902671.db2.gz HSZYQSQTMWJHJI-RKDXNWHRSA-N 1 0 196.319 2.121 10 0 AEAERO CC1(C)CCC(CC(=O)C[NH3+])CC1 76608631 573902694 /nfs/dbraw/zinc/90/26/94/573902694.db2.gz QTLIKQSIZSKGAT-UHFFFAOYSA-N 1 0 183.295 2.121 10 0 AEAERO C[C@@H](C[NH3+])c1coc2cc(O)ccc12 257903114 573902751 /nfs/dbraw/zinc/90/27/51/573902751.db2.gz MTDYXUOXHAYNOI-ZETCQYMHSA-N 1 0 191.230 2.201 10 0 AEAERO C[C@H]1C[C@@H](C)C[C@H]2[NH2+]CCC[C@@H]12 84468490 573902789 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10 0 AEAERO Cc1csc(C[C@@H]2CCC[C@@H]2[NH3+])n1 87392554 573902998 /nfs/dbraw/zinc/90/29/98/573902998.db2.gz RTJDFLKGTSTTSE-IUCAKERBSA-N 1 0 196.319 2.121 10 0 AEAERO CC[NH2+]CC[C@@H]1CCC2(CCC2)CO1 716367982 573903037 /nfs/dbraw/zinc/90/30/37/573903037.db2.gz VJPJPVMIPFBJQT-NSHDSACASA-N 1 0 197.322 2.335 10 0 AEAERO COc1cc(C)c(C)cc1C[NH+](C)C 259230988 573903049 /nfs/dbraw/zinc/90/30/49/573903049.db2.gz BLBNTPCFIYPHNH-UHFFFAOYSA-N 1 0 193.290 2.374 10 0 AEAERO CC(C)[C@@H](Cc1nccs1)[C@@H](C)[NH3+] 87392790 573903056 /nfs/dbraw/zinc/90/30/56/573903056.db2.gz FWGDLZWFEQFDLC-RKDXNWHRSA-N 1 0 198.335 2.305 10 0 AEAERO CN(C)CC[NH2+]CCC1=CCCCC1 41582476 573903078 /nfs/dbraw/zinc/90/30/78/573903078.db2.gz OUHIVESAAXUHEL-UHFFFAOYSA-N 1 0 196.338 2.028 10 0 AEAERO Cc1csc(CC2=C[C@H]([NH3+])CC2)n1 87397744 573903079 /nfs/dbraw/zinc/90/30/79/573903079.db2.gz VCSLICZSPVGFHF-SECBINFHSA-N 1 0 194.303 2.042 10 0 AEAERO CC(C)(C)C[C@H]1CC[NH2+][C@@](C)(CO)C1 258443846 573903092 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/nfs/dbraw/zinc/90/33/64/573903364.db2.gz GMMYDOZYRSKEQC-BJDJZHNGSA-N 1 0 199.338 2.421 10 0 AEAERO CC(C)C[C@H](C)[C@H]([NH3+])[C@H]1CO[C@H](C)C1 308461930 573903392 /nfs/dbraw/zinc/90/33/92/573903392.db2.gz GMMYDOZYRSKEQC-QCNOEVLYSA-N 1 0 199.338 2.421 10 0 AEAERO C[NH2+][C@H](C)c1ccnn1C1CCCC1 257896047 573903402 /nfs/dbraw/zinc/90/34/02/573903402.db2.gz XXZNPNMPERZXHM-SECBINFHSA-N 1 0 193.294 2.279 10 0 AEAERO CC(C)[C@@H](C[NH3+])C1(C2CCC2)COC1 259232563 573907070 /nfs/dbraw/zinc/90/70/70/573907070.db2.gz MLZUAEYZUHULCH-LLVKDONJSA-N 1 0 197.322 2.034 10 0 AEAERO Cc1ccc([C@H](CO)[NH2+]C(C)C)s1 41677240 573907074 /nfs/dbraw/zinc/90/70/74/573907074.db2.gz NIKBIPVKZPRDGG-VIFPVBQESA-N 1 0 199.319 2.088 10 0 AEAERO Cc1ccccc1C/C=C/C[NH3+] 258450248 573907162 /nfs/dbraw/zinc/90/71/62/573907162.db2.gz FWGYVXHAWGUROD-SNAWJCMRSA-N 1 0 161.248 2.052 10 0 AEAERO Cc1nc(/C=C2\CC[NH2+]C2)sc1C 87398911 573907188 /nfs/dbraw/zinc/90/71/88/573907188.db2.gz MSAULRNCIADSJE-WEVVVXLNSA-N 1 0 194.303 2.137 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OLEJRCHJBWYITE-UHFFFAOYSA-N 1 0 194.322 2.447 10 0 AEAERO [NH3+][C@@H]1CCC[C@H]1Nc1cccs1 259232410 573907458 /nfs/dbraw/zinc/90/74/58/573907458.db2.gz YAILHWJZWZYLAI-HTQZYQBOSA-N 1 0 182.292 2.040 10 0 AEAERO CC1=C(C)C(C)(C)CC[C@@H]1[NH3+] 238194962 573907479 /nfs/dbraw/zinc/90/74/79/573907479.db2.gz ZYVVFYDIMOKMJK-VIFPVBQESA-N 1 0 153.269 2.470 10 0 AEAERO CCC[NH2+]CCN(C)[C@H](C)CCC 44380981 573907505 /nfs/dbraw/zinc/90/75/05/573907505.db2.gz IVHMWZKPTBHQRQ-LLVKDONJSA-N 1 0 186.343 2.106 10 0 AEAERO C[NH2+]CC1=CCc2ccc(Cl)cc21 257896954 573907507 /nfs/dbraw/zinc/90/75/07/573907507.db2.gz YCGABWPVCMBXBO-UHFFFAOYSA-N 1 0 193.677 2.499 10 0 AEAERO C[C@@]1(c2ccccc2)C[C@@H](F)C[NH2+]1 259001270 573907521 /nfs/dbraw/zinc/90/75/21/573907521.db2.gz WWTSRYZAKOZAGL-MNOVXSKESA-N 1 0 179.238 2.233 10 0 AEAERO CC[C@H]([NH3+])Cc1ccc(OC)c(F)c1 44399538 573907523 /nfs/dbraw/zinc/90/75/23/573907523.db2.gz KGFQITGUEKVGOX-VIFPVBQESA-N 1 0 197.253 2.114 10 0 AEAERO C[NH2+][C@@H](OC)c1ccc(Cl)cc1 259232382 573907538 /nfs/dbraw/zinc/90/75/38/573907538.db2.gz MSCBPINEJIRXOH-VIFPVBQESA-N 1 0 185.654 2.204 10 0 AEAERO C[C@@H]([NH3+])[C@@H]1CCCCC1(F)F 257896297 573907583 /nfs/dbraw/zinc/90/75/83/573907583.db2.gz VEEKRRQXSZSRMD-RQJHMYQMSA-N 1 0 163.211 2.159 10 0 AEAERO C[C@H]([NH3+])c1ccnc(OC2CCC2)c1 87414147 573907617 /nfs/dbraw/zinc/90/76/17/573907617.db2.gz ULINQNKBJOLNJS-QMMMGPOBSA-N 1 0 192.262 2.033 10 0 AEAERO C[C@H]([NH3+])[C@@H](F)CC1CCCC1 258521160 573907630 /nfs/dbraw/zinc/90/76/30/573907630.db2.gz MGXMOAKFSQCKTK-CBAPKCEASA-N 1 0 159.248 2.252 10 0 AEAERO Cc1ccc(O[C@H]2CCC[C@@H]2[NH3+])cc1 19273180 573907644 /nfs/dbraw/zinc/90/76/44/573907644.db2.gz JAXSKSOMHTUQMM-RYUDHWBXSA-N 1 0 191.274 2.254 10 0 AEAERO CC(C)[C@H]([NH3+])c1ccoc1F 238182521 573913585 /nfs/dbraw/zinc/91/35/85/573913585.db2.gz DDBZDEUNVICEBB-ZETCQYMHSA-N 1 0 157.188 2.075 10 0 AEAERO CC[NH2+]C[C@H](OC)C1(C(C)C)CCC1 686131765 573907659 /nfs/dbraw/zinc/90/76/59/573907659.db2.gz CZUTYJGNPUSQPJ-NSHDSACASA-N 1 0 199.338 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CC[C@@H]1C[C@H]1C[N@H+](C)C[C@H]1CCCO1 929286569 630868828 /nfs/dbraw/zinc/86/88/28/630868828.db2.gz DBOBVVAOCNEVRQ-GRYCIOLGSA-N 1 0 197.322 2.143 10 0 AEAERO C[N@H+](CCCc1cccnc1)C1CC1 929273163 630869412 /nfs/dbraw/zinc/86/94/12/630869412.db2.gz AAIRAOOHBCHNSF-UHFFFAOYSA-N 1 0 190.290 2.108 10 0 AEAERO CC[C@@H]1C[C@H]1C[N@H+](C)C[C@@H]1CCCO1 929286576 630870070 /nfs/dbraw/zinc/87/00/70/630870070.db2.gz DBOBVVAOCNEVRQ-WOPDTQHZSA-N 1 0 197.322 2.143 10 0 AEAERO CC1CC(C[N@H+](C)C[C@H]2CCCO2)C1 929288003 630871955 /nfs/dbraw/zinc/87/19/55/630871955.db2.gz NUGZLBRLRBDFQW-HTAVTVPLSA-N 1 0 197.322 2.143 10 0 AEAERO CC1CC(C[N@H+](C)C[C@@H]2CCCO2)C1 929288004 630872353 /nfs/dbraw/zinc/87/23/53/630872353.db2.gz NUGZLBRLRBDFQW-MCIGGMRASA-N 1 0 197.322 2.143 10 0 AEAERO c1coc(CC[NH2+]Cc2ccoc2)c1 62103378 630873087 /nfs/dbraw/zinc/87/30/87/630873087.db2.gz SGYUIKASBAYJFT-UHFFFAOYSA-N 1 0 191.230 2.205 10 0 AEAERO CC(C)OCCC[NH2+]Cc1ccoc1 62103371 630873874 /nfs/dbraw/zinc/87/38/74/630873874.db2.gz AANFZBNMZYGFON-UHFFFAOYSA-N 1 0 197.278 2.184 10 0 AEAERO CC(C)(/C=C/Cl)[NH2+]Cc1cnc[nH]1 922644617 630874134 /nfs/dbraw/zinc/87/41/34/630874134.db2.gz JTFTXYHLWNOGCF-ONEGZZNKSA-N 1 0 199.685 2.030 10 0 AEAERO C[C@@H]1O[C@H](C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[C@H]1C 701035284 630884106 /nfs/dbraw/zinc/88/41/06/630884106.db2.gz WQQMRJYUENUPIA-NAFSEIKSSA-N 1 0 197.322 2.186 10 0 AEAERO CCOC[C@H](C)[NH2+]C1C(C)(C)C1(C)C 230063643 630874333 /nfs/dbraw/zinc/87/43/33/630874333.db2.gz OSTUUPYIUBHTNQ-VIFPVBQESA-N 1 0 199.338 2.436 10 0 AEAERO COC[C@@H](C[N@H+](C)CC1CC1)C(C)C 929290401 630874759 /nfs/dbraw/zinc/87/47/59/630874759.db2.gz RNNPIGUGRZGPFA-GFCCVEGCSA-N 1 0 199.338 2.247 10 0 AEAERO CCOC[C@@H](C)[NH2+]C1C(C)(C)C1(C)C 230063640 630875024 /nfs/dbraw/zinc/87/50/24/630875024.db2.gz OSTUUPYIUBHTNQ-SECBINFHSA-N 1 0 199.338 2.436 10 0 AEAERO CC(=O)CC[NH+]1CCC(C)(C)CC1 61803942 630875365 /nfs/dbraw/zinc/87/53/65/630875365.db2.gz YKLVJZDQLXCBCS-UHFFFAOYSA-N 1 0 183.295 2.088 10 0 AEAERO COC[C@H](C[N@H+](C)CC1CC1)C(C)C 929290402 630875377 /nfs/dbraw/zinc/87/53/77/630875377.db2.gz RNNPIGUGRZGPFA-LBPRGKRZSA-N 1 0 199.338 2.247 10 0 AEAERO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]CC1(F)CC1 922509460 630875875 /nfs/dbraw/zinc/87/58/75/630875875.db2.gz HGQSICVDDXZQFO-DOLQZWNJSA-N 1 0 183.270 2.123 10 0 AEAERO CC(C)(/C=C\Cl)[NH2+]Cc1cnc[nH]1 922644616 630876023 /nfs/dbraw/zinc/87/60/23/630876023.db2.gz JTFTXYHLWNOGCF-ARJAWSKDSA-N 1 0 199.685 2.030 10 0 AEAERO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)C1CC1 922817654 630876444 /nfs/dbraw/zinc/87/64/44/630876444.db2.gz ASGFTXHXPLPRLW-CMPLNLGQSA-N 1 0 197.322 2.334 10 0 AEAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1(C)CC1 230410012 630876627 /nfs/dbraw/zinc/87/66/27/630876627.db2.gz RSRGZEQZTVGYPE-GHMZBOCLSA-N 1 0 197.322 2.191 10 0 AEAERO FC1(C[NH2+]CCC2CC=CC2)CC1 922733369 630876918 /nfs/dbraw/zinc/87/69/18/630876918.db2.gz NZGGTPUJUHWTBP-UHFFFAOYSA-N 1 0 183.270 2.434 10 0 AEAERO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)C1CC1 922817657 630877025 /nfs/dbraw/zinc/87/70/25/630877025.db2.gz ASGFTXHXPLPRLW-ZYHUDNBSSA-N 1 0 197.322 2.334 10 0 AEAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F 922731619 630877324 /nfs/dbraw/zinc/87/73/24/630877324.db2.gz DWOZFDXCORVZJW-JGVFFNPUSA-N 1 0 195.228 2.430 10 0 AEAERO C[C@H]([NH2+]C[C@]1(C)CCCCO1)C1CC1 922817655 630877503 /nfs/dbraw/zinc/87/75/03/630877503.db2.gz ASGFTXHXPLPRLW-JQWIXIFHSA-N 1 0 197.322 2.334 10 0 AEAERO CC[N@H+](CCC(C)=O)CC1CCC1 230324108 630877663 /nfs/dbraw/zinc/87/76/63/630877663.db2.gz DDFGQBZHIHWOFH-UHFFFAOYSA-N 1 0 183.295 2.088 10 0 AEAERO CCC[C@H](O)CC[NH2+]CC1(C)CCC1 922822826 630877708 /nfs/dbraw/zinc/87/77/08/630877708.db2.gz SLNITPCLKJYBJA-NSHDSACASA-N 1 0 199.338 2.317 10 0 AEAERO C[C@H]([NH2+]CC[C@H]1CCOC1)C1(C)CC1 230410019 630877880 /nfs/dbraw/zinc/87/78/80/630877880.db2.gz RSRGZEQZTVGYPE-QWRGUYRKSA-N 1 0 197.322 2.191 10 0 AEAERO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)C1CC1 922817656 630877975 /nfs/dbraw/zinc/87/79/75/630877975.db2.gz ASGFTXHXPLPRLW-PWSUYJOCSA-N 1 0 197.322 2.334 10 0 AEAERO CCC[C@@H](O)CC[NH2+]CC1(C)CCC1 922822825 630878116 /nfs/dbraw/zinc/87/81/16/630878116.db2.gz SLNITPCLKJYBJA-LLVKDONJSA-N 1 0 199.338 2.317 10 0 AEAERO C[C@H]([NH2+]CC[C@@H]1CCOC1)C1(C)CC1 230410014 630878410 /nfs/dbraw/zinc/87/84/10/630878410.db2.gz RSRGZEQZTVGYPE-WDEREUQCSA-N 1 0 197.322 2.191 10 0 AEAERO C[C@@H]([NH2+]CC[C@H]1CCOC1)C1(C)CC1 230410017 630879146 /nfs/dbraw/zinc/87/91/46/630879146.db2.gz RSRGZEQZTVGYPE-MNOVXSKESA-N 1 0 197.322 2.191 10 0 AEAERO C[C@H]([NH2+]CCCCCCO)[C@@H]1C[C@H]1C 321509818 630879381 /nfs/dbraw/zinc/87/93/81/630879381.db2.gz MSKQUAAOSGIPOM-GRYCIOLGSA-N 1 0 199.338 2.173 10 0 AEAERO C[C@H]([NH2+]CC1CSC1)C1CCC1 700540116 630880495 /nfs/dbraw/zinc/88/04/95/630880495.db2.gz CQVYTJDIIFTDQL-QMMMGPOBSA-N 1 0 185.336 2.128 10 0 AEAERO CC[C@@H]([NH2+]CC1CSC1)C(C)C 700469656 630881016 /nfs/dbraw/zinc/88/10/16/630881016.db2.gz SMKDLGZFBDUHDC-SNVBAGLBSA-N 1 0 187.352 2.374 10 0 AEAERO CCCC[C@@H](C)[NH2+]C1CC(OC)C1 230673731 630881399 /nfs/dbraw/zinc/88/13/99/630881399.db2.gz ZSNXYNYRJJYIRY-KPPDAEKUSA-N 1 0 185.311 2.332 10 0 AEAERO C[C@H](CC1CC1)[NH2+]CC1CSC1 700423340 630881409 /nfs/dbraw/zinc/88/14/09/630881409.db2.gz JIMOJLGEOWWOSH-MRVPVSSYSA-N 1 0 185.336 2.128 10 0 AEAERO c1cc(C[NH2+]CC2CSC2)cs1 700479206 630881466 /nfs/dbraw/zinc/88/14/66/630881466.db2.gz TVNCHEUKTLWJBL-UHFFFAOYSA-N 1 0 199.344 2.201 10 0 AEAERO C[C@@H](CC1CC1)[NH2+]CC1CSC1 700423341 630882374 /nfs/dbraw/zinc/88/23/74/630882374.db2.gz JIMOJLGEOWWOSH-QMMMGPOBSA-N 1 0 185.336 2.128 10 0 AEAERO C[C@@H]([NH2+]CC1CSC1)C1CCC1 700540114 630882613 /nfs/dbraw/zinc/88/26/13/630882613.db2.gz CQVYTJDIIFTDQL-MRVPVSSYSA-N 1 0 185.336 2.128 10 0 AEAERO CCC[C@H](C)C[NH2+]C1CC(OC)C1 230691105 630883003 /nfs/dbraw/zinc/88/30/03/630883003.db2.gz NBRZPLIXCGAOLU-WHXUTIOJSA-N 1 0 185.311 2.190 10 0 AEAERO COC1CC([NH2+]C2CCC(C)CC2)C1 230675410 630883437 /nfs/dbraw/zinc/88/34/37/630883437.db2.gz SSSLBVNCACUXFL-UHFFFAOYSA-N 1 0 197.322 2.332 10 0 AEAERO COC1CC([NH2+][C@@H](C)c2ccco2)C1 230675816 630883655 /nfs/dbraw/zinc/88/36/55/630883655.db2.gz XDLXTHRMIOVPDZ-IDKOKCKLSA-N 1 0 195.262 2.108 10 0 AEAERO COC1CC([NH2+][C@@H](C)C(C)(C)C)C1 230673920 630883713 /nfs/dbraw/zinc/88/37/13/630883713.db2.gz SAUWZHRPFFPENI-IDKOKCKLSA-N 1 0 185.311 2.188 10 0 AEAERO CCC[C@@H](C)C[NH2+]C1CC(OC)C1 230691102 630883723 /nfs/dbraw/zinc/88/37/23/630883723.db2.gz NBRZPLIXCGAOLU-KPPDAEKUSA-N 1 0 185.311 2.190 10 0 AEAERO COC1CC([NH2+][C@H](C)c2ccco2)C1 230675820 630883897 /nfs/dbraw/zinc/88/38/97/630883897.db2.gz XDLXTHRMIOVPDZ-XNWIYYODSA-N 1 0 195.262 2.108 10 0 AEAERO CCCC[C@H](C)[NH2+]C1CC(OC)C1 230673735 630883929 /nfs/dbraw/zinc/88/39/29/630883929.db2.gz ZSNXYNYRJJYIRY-WHXUTIOJSA-N 1 0 185.311 2.332 10 0 AEAERO C[C@@H]1O[C@H](C)[C@@H](C)[C@@H]1[NH2+][C@H]1CC[C@H]1C 701035287 630884222 /nfs/dbraw/zinc/88/42/22/630884222.db2.gz WQQMRJYUENUPIA-UCFKJQRDSA-N 1 0 197.322 2.186 10 0 AEAERO COC1CC([NH2+][C@H](C)c2ccoc2)C1 230675386 630884273 /nfs/dbraw/zinc/88/42/73/630884273.db2.gz NMFPXNKFWSCGCJ-MFAVDMRSSA-N 1 0 195.262 2.108 10 0 AEAERO C[C@@H]1O[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@H]2C)[C@@H]1C 701035281 630884557 /nfs/dbraw/zinc/88/45/57/630884557.db2.gz WQQMRJYUENUPIA-HAVMIZHYSA-N 1 0 197.322 2.186 10 0 AEAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC1(C)C 701972385 630889334 /nfs/dbraw/zinc/88/93/34/630889334.db2.gz ICDXSLXELAFUBQ-CKYFFXLPSA-N 1 0 199.338 2.436 10 0 AEAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(C)C)CO1 701946905 630885736 /nfs/dbraw/zinc/88/57/36/630885736.db2.gz XWWNIZONVPJMNR-SCVCMEIPSA-N 1 0 197.322 2.190 10 0 AEAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(C)C)CO1 701946895 630885991 /nfs/dbraw/zinc/88/59/91/630885991.db2.gz XWWNIZONVPJMNR-JFGNBEQYSA-N 1 0 197.322 2.190 10 0 AEAERO CC1(C)C[C@]1(C)C[NH2+]C1CSC1 701945535 630886349 /nfs/dbraw/zinc/88/63/49/630886349.db2.gz SDBXRMCVDVACLB-SNVBAGLBSA-N 1 0 185.336 2.128 10 0 AEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(C)C)CO1 701946890 630886388 /nfs/dbraw/zinc/88/63/88/630886388.db2.gz XWWNIZONVPJMNR-CKYFFXLPSA-N 1 0 197.322 2.190 10 0 AEAERO COC(C)(C)CC[NH2+]Cc1ccoc1 231026716 630886674 /nfs/dbraw/zinc/88/66/74/630886674.db2.gz DLVCXDDKNPKRLS-UHFFFAOYSA-N 1 0 197.278 2.184 10 0 AEAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(C)C)CO1 701946893 630887170 /nfs/dbraw/zinc/88/71/70/630887170.db2.gz XWWNIZONVPJMNR-FOGDFJRCSA-N 1 0 197.322 2.190 10 0 AEAERO CC1(C)C[C@@]1(C)C[NH2+]C1CSC1 701945533 630887632 /nfs/dbraw/zinc/88/76/32/630887632.db2.gz SDBXRMCVDVACLB-JTQLQIEISA-N 1 0 185.336 2.128 10 0 AEAERO C[C@H]1COC[C@H]1[NH2+]CC1CC(C)(C)C1 702022261 630888335 /nfs/dbraw/zinc/88/83/35/630888335.db2.gz UBHARUZZERCPLJ-GXSJLCMTSA-N 1 0 197.322 2.047 10 0 AEAERO COC[C@@H](C)C[NH2+]C[C@]1(C)CC1(C)C 701973087 630888358 /nfs/dbraw/zinc/88/83/58/630888358.db2.gz MTAFMXWGXZNRIW-JQWIXIFHSA-N 1 0 199.338 2.295 10 0 AEAERO CCOC[C@H](C)[NH2+]C[C@@]1(C)CC1(C)C 701971836 630888391 /nfs/dbraw/zinc/88/83/91/630888391.db2.gz CDGPPJLLICPVBV-CMPLNLGQSA-N 1 0 199.338 2.437 10 0 AEAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC1(C)C 701972390 630888404 /nfs/dbraw/zinc/88/84/04/630888404.db2.gz ICDXSLXELAFUBQ-HOSYDEDBSA-N 1 0 199.338 2.436 10 0 AEAERO CC1(C)C[C@@]1(C)C[NH2+][C@H]1CCCOC1 701973852 630888515 /nfs/dbraw/zinc/88/85/15/630888515.db2.gz SMMRVNPQPFDCSM-JQWIXIFHSA-N 1 0 197.322 2.191 10 0 AEAERO COCC[C@H](C)[NH2+]C[C@]1(C)CC1(C)C 701973491 630888525 /nfs/dbraw/zinc/88/85/25/630888525.db2.gz QRIPOEKTGOQFQW-JQWIXIFHSA-N 1 0 199.338 2.437 10 0 AEAERO CC1(C)C[C@@]1(C)C[NH2+]CC1CC1 701978797 630888542 /nfs/dbraw/zinc/88/85/42/630888542.db2.gz HNQFBNLCUOSAKY-NSHDSACASA-N 1 0 167.296 2.422 10 0 AEAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@]1(C)CC1(C)C 701971855 630888550 /nfs/dbraw/zinc/88/85/50/630888550.db2.gz CQXCVCHZXBDWSR-NHCYSSNCSA-N 1 0 197.322 2.190 10 0 AEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@]1(C)CC1(C)C 702010380 630888579 /nfs/dbraw/zinc/88/85/79/630888579.db2.gz QLQOUQVBTSMBHL-UMNHJUIQSA-N 1 0 197.322 2.332 10 0 AEAERO 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