smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CC(C)(C)C[NH3+] 49804202 534015901 /nfs/dbraw/zinc/01/59/01/534015901.db2.gz GDTNDQOMUQZXDG-UHFFFAOYSA-N 1 0 193.290 2.223 50 0 in-vitro AEAARO Fc1nccc(C[NH2+]C2CCC2)c1F 675069286 537781992 /nfs/dbraw/zinc/78/19/92/537781992.db2.gz FJBGTNDWDOXJKS-UHFFFAOYSA-N 1 0 198.216 2.002 50 0 AEAARO COCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 685939836 537813424 /nfs/dbraw/zinc/81/34/24/537813424.db2.gz ONJXZURCAZCUNG-NEPJUHHUSA-N 1 0 197.322 2.145 50 0 AEAARO CC1(C)CC2(CCC([NH3+])CC2)CO1 685944045 537813805 /nfs/dbraw/zinc/81/38/05/537813805.db2.gz BBPAOGWMHFWQIW-UHFFFAOYSA-N 1 0 183.295 2.073 50 0 AEAARO CC1=C(C)C[C@](C)([NH3+])CC1 685944727 537814001 /nfs/dbraw/zinc/81/40/01/537814001.db2.gz XPMBYCYLGZQKSS-SECBINFHSA-N 1 0 139.242 2.224 50 0 AEAARO COCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 685939837 537814298 /nfs/dbraw/zinc/81/42/98/537814298.db2.gz ONJXZURCAZCUNG-RYUDHWBXSA-N 1 0 197.322 2.145 50 0 AEAARO CC1=C(C)C[C@@](C)([NH3+])CC1 685944728 537814552 /nfs/dbraw/zinc/81/45/52/537814552.db2.gz XPMBYCYLGZQKSS-VIFPVBQESA-N 1 0 139.242 2.224 50 0 AEAARO Fc1cncc(F)c1C[NH2+]C1CCC1 685947039 537820118 /nfs/dbraw/zinc/82/01/18/537820118.db2.gz ZQIUXFMUZKWXSA-UHFFFAOYSA-N 1 0 198.216 2.002 50 0 AEAARO COCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 40013579 537834665 /nfs/dbraw/zinc/83/46/65/537834665.db2.gz ONJXZURCAZCUNG-NWDGAFQWSA-N 1 0 197.322 2.145 50 0 AEAARO COCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 40013581 537835292 /nfs/dbraw/zinc/83/52/92/537835292.db2.gz ONJXZURCAZCUNG-VXGBXAGGSA-N 1 0 197.322 2.145 50 0 AEAARO c1ccc2c(c1)[C@@H]1CC[C@H]2C[NH2+]1 75544152 537874023 /nfs/dbraw/zinc/87/40/23/537874023.db2.gz PWDGMCPUUAQNLI-KWQFWETISA-N 1 0 159.232 2.208 50 0 AEAARO C[C@@H]1C[NH2+]CC[C@H](c2ccccc2)O1 725241374 537888695 /nfs/dbraw/zinc/88/86/95/537888695.db2.gz PDSREWBLTAMGGF-ZYHUDNBSSA-N 1 0 191.274 2.126 50 0 AEAARO C[C@H]1C[NH2+]CC[C@@H](c2ccccc2)O1 725241372 537889237 /nfs/dbraw/zinc/88/92/37/537889237.db2.gz PDSREWBLTAMGGF-JQWIXIFHSA-N 1 0 191.274 2.126 50 0 AEAARO C[C@H]1C[NH2+]CC[C@H](c2ccccc2)O1 725241365 537889589 /nfs/dbraw/zinc/88/95/89/537889589.db2.gz PDSREWBLTAMGGF-CMPLNLGQSA-N 1 0 191.274 2.126 50 0 AEAARO C[C@@H]1C[NH2+]CC[C@@H](c2ccccc2)O1 725241373 537889743 /nfs/dbraw/zinc/88/97/43/537889743.db2.gz PDSREWBLTAMGGF-PWSUYJOCSA-N 1 0 191.274 2.126 50 0 AEAARO [NH3+][C@@H](c1ccsc1)c1ccccn1 83450953 537899452 /nfs/dbraw/zinc/89/94/52/537899452.db2.gz OLMREPPHGOTEEZ-JTQLQIEISA-N 1 0 190.271 2.191 50 0 AEAARO [NH3+][C@H](c1ccsc1)c1ccccn1 83450950 537900096 /nfs/dbraw/zinc/90/00/96/537900096.db2.gz OLMREPPHGOTEEZ-SNVBAGLBSA-N 1 0 190.271 2.191 50 0 AEAARO C[C@@]1(Cc2cccs2)CCC[NH2+]1 85698633 537912473 /nfs/dbraw/zinc/91/24/73/537912473.db2.gz JVHLGGIGJVJWOZ-JTQLQIEISA-N 1 0 181.304 2.433 50 0 AEAARO C[C@]1(Cc2cccs2)CCC[NH2+]1 85698629 537915760 /nfs/dbraw/zinc/91/57/60/537915760.db2.gz JVHLGGIGJVJWOZ-SNVBAGLBSA-N 1 0 181.304 2.433 50 0 AEAARO [NH3+]C[C@]1(c2ccccc2)C[C@@H](F)C1 725266697 537930495 /nfs/dbraw/zinc/93/04/95/537930495.db2.gz LOCFLTYDPJCCHI-PHIMTYICSA-N 1 0 179.238 2.015 50 0 AEAARO CCC[NH2+][C@H]1CCCc2[nH]ccc21 725271682 537931907 /nfs/dbraw/zinc/93/19/07/537931907.db2.gz JTXMEGHWMVRJSC-JTQLQIEISA-N 1 0 178.279 2.392 50 0 AEAARO CCC[NH2+][C@@H]1CCCc2[nH]ccc21 725271685 537932062 /nfs/dbraw/zinc/93/20/62/537932062.db2.gz JTXMEGHWMVRJSC-SNVBAGLBSA-N 1 0 178.279 2.392 50 0 AEAARO c1cc2c([nH]1)CCC[C@@H]2[NH2+]C1CC1 725272030 537932332 /nfs/dbraw/zinc/93/23/32/537932332.db2.gz LTPORDSBIOABQX-NSHDSACASA-N 1 0 176.263 2.144 50 0 AEAARO c1cc2c([nH]1)CCC[C@H]2[NH2+]C1CC1 725272029 537932986 /nfs/dbraw/zinc/93/29/86/537932986.db2.gz LTPORDSBIOABQX-LLVKDONJSA-N 1 0 176.263 2.144 50 0 AEAARO CC[NH2+][C@H]1CCCc2[nH]ccc21 725272688 537936294 /nfs/dbraw/zinc/93/62/94/537936294.db2.gz SXCAXJPMVYIKQK-VIFPVBQESA-N 1 0 164.252 2.002 50 0 AEAARO [NH3+]C1(c2ccnc(C(F)F)c2)CCC1 725273750 537936532 /nfs/dbraw/zinc/93/65/32/537936532.db2.gz ZIYHOEIFVDAAEV-UHFFFAOYSA-N 1 0 198.216 2.357 50 0 AEAARO CC[NH2+][C@@H]1CCCc2[nH]ccc21 725272687 537937386 /nfs/dbraw/zinc/93/73/86/537937386.db2.gz SXCAXJPMVYIKQK-SECBINFHSA-N 1 0 164.252 2.002 50 0 AEAARO [NH3+]C[C@H]1CCC=CCCC1 104634136 537953168 /nfs/dbraw/zinc/95/31/68/537953168.db2.gz VVDVYPRTAZHSQZ-VIFPVBQESA-N 1 0 139.242 2.082 50 0 AEAARO [NH3+]C[C@@H]1CCC=CCCC1 104634139 537953385 /nfs/dbraw/zinc/95/33/85/537953385.db2.gz VVDVYPRTAZHSQZ-SECBINFHSA-N 1 0 139.242 2.082 50 0 AEAARO CC(C)[C@@H]1CC[C@H](C(C)C)[NH2+]1 104680618 537955699 /nfs/dbraw/zinc/95/56/99/537955699.db2.gz CITAJXRBKWJHJR-AOOOYVTPSA-N 1 0 155.285 2.419 50 0 AEAARO CC(C)[C@H]1CC[C@H](C(C)C)[NH2+]1 104680622 537956076 /nfs/dbraw/zinc/95/60/76/537956076.db2.gz CITAJXRBKWJHJR-NXEZZACHSA-N 1 0 155.285 2.419 50 0 AEAARO CC(C)[C@@H]1CC[C@@H](C(C)C)[NH2+]1 104680623 537956139 /nfs/dbraw/zinc/95/61/39/537956139.db2.gz CITAJXRBKWJHJR-UWVGGRQHSA-N 1 0 155.285 2.419 50 0 AEAARO COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH3+] 213159555 538190599 /nfs/dbraw/zinc/19/05/99/538190599.db2.gz HZBRKEKYDYMVGS-UFBFGSQYSA-N 1 0 191.274 2.277 50 0 AEAARO COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH3+] 213159431 538190979 /nfs/dbraw/zinc/19/09/79/538190979.db2.gz HZBRKEKYDYMVGS-QPUJVOFHSA-N 1 0 191.274 2.277 50 0 AEAARO COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH3+] 213159493 538191133 /nfs/dbraw/zinc/19/11/33/538191133.db2.gz HZBRKEKYDYMVGS-PELKAZGASA-N 1 0 191.274 2.277 50 0 AEAARO COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH3+] 213159373 538191530 /nfs/dbraw/zinc/19/15/30/538191530.db2.gz HZBRKEKYDYMVGS-PRHODGIISA-N 1 0 191.274 2.277 50 0 AEAARO CC(C)C([NH2+]Cc1cc[nH]n1)C(C)C 388813176 538437768 /nfs/dbraw/zinc/43/77/68/538437768.db2.gz QCXLTJXYWDLFNY-UHFFFAOYSA-N 1 0 195.310 2.180 50 0 AEAARO C[C@H]([NH3+])c1ccc(-c2cc[nH]n2)cc1 404828880 538441676 /nfs/dbraw/zinc/44/16/76/538441676.db2.gz SQWGGMHNWXVCRH-QMMMGPOBSA-N 1 0 187.246 2.096 50 0 AEAARO C[C@@H]([NH3+])c1ccc(-c2cc[nH]n2)cc1 404828878 538441767 /nfs/dbraw/zinc/44/17/67/538441767.db2.gz SQWGGMHNWXVCRH-MRVPVSSYSA-N 1 0 187.246 2.096 50 0 AEAARO CC(C)N(C(C)C)[C@@H]1CC[C@@H](C)[NH2+]C1 669382238 538445662 /nfs/dbraw/zinc/44/56/62/538445662.db2.gz JKSAATCXUDHZEM-VXGBXAGGSA-N 1 0 198.354 2.246 50 0 AEAARO CC(C)N(C(C)C)[C@H]1CC[C@H](C)[NH2+]C1 669382237 538445831 /nfs/dbraw/zinc/44/58/31/538445831.db2.gz JKSAATCXUDHZEM-RYUDHWBXSA-N 1 0 198.354 2.246 50 0 AEAARO CC(C)N(C(C)C)[C@H]1CC[C@@H](C)[NH2+]C1 669382235 538445882 /nfs/dbraw/zinc/44/58/82/538445882.db2.gz JKSAATCXUDHZEM-NEPJUHHUSA-N 1 0 198.354 2.246 50 0 AEAARO CC(C)N(C(C)C)[C@@H]1CC[C@H](C)[NH2+]C1 669382236 538445887 /nfs/dbraw/zinc/44/58/87/538445887.db2.gz JKSAATCXUDHZEM-NWDGAFQWSA-N 1 0 198.354 2.246 50 0 AEAARO CCC[C@H]([NH3+])C1(O)CCC(C)CC1 74280869 756969572 /nfs/dbraw/zinc/96/95/72/756969572.db2.gz BPXDQIDXBCXVOZ-YVNMAJEFSA-N 1 0 185.311 2.055 50 0 AEAARO Cc1cc(C[NH+]2CCCC2)ccc1O 150163530 756997300 /nfs/dbraw/zinc/99/73/00/756997300.db2.gz CCKMVVKXIWOUQD-UHFFFAOYSA-N 1 0 191.274 2.296 50 0 AEAARO C(=C1C[NH2+]C1)c1cnc(C2CC2)s1 952848794 757570281 /nfs/dbraw/zinc/57/02/81/757570281.db2.gz JYDIPNBSULWQMV-UHFFFAOYSA-N 1 0 192.287 2.007 50 0 AEAARO Cc1[nH]c2ccc3c(c2[nH+]1)CCCN3 952876140 757570590 /nfs/dbraw/zinc/57/05/90/757570590.db2.gz BYTRJOHRBDYREL-UHFFFAOYSA-N 1 0 187.246 2.229 50 0 AEAARO CC[C@@H]([NH3+])c1cc(C)cc(OC)c1 238271967 573084087 /nfs/dbraw/zinc/08/40/87/573084087.db2.gz WYRDCGOTANWNOL-LLVKDONJSA-N 1 0 179.263 2.413 50 0 AEAARO CC[C@@H]([NH3+])C1(O)CCCCCCC1 238288610 573121703 /nfs/dbraw/zinc/12/17/03/573121703.db2.gz IEHNVAPDAJZRIE-SNVBAGLBSA-N 1 0 185.311 2.199 50 0 AEAARO Cc1cc2c(cc1Cl)[C@@H]([NH3+])CO2 104674614 573166382 /nfs/dbraw/zinc/16/63/82/573166382.db2.gz SXAPRIFRYFMVSC-QMMMGPOBSA-N 1 0 183.638 2.041 50 0 AEAARO c1cc2c3c(c1)C[NH2+]C[C@@H]3CCC2 82784342 573189433 /nfs/dbraw/zinc/18/94/33/573189433.db2.gz FWXHYOOMTHUMDF-NSHDSACASA-N 1 0 173.259 2.210 50 0 AEAARO CC(C)[C@H]1C[NH2+]CCC12CCOCC2 86193344 573290941 /nfs/dbraw/zinc/29/09/41/573290941.db2.gz JDRZZELGXYECEP-LLVKDONJSA-N 1 0 197.322 2.049 50 0 AEAARO [NH3+][C@H]1CCC2(CCCC2)C1 257997077 573295489 /nfs/dbraw/zinc/29/54/89/573295489.db2.gz LKYKLTYURHMHGS-QMMMGPOBSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+][C@@H]1CCC2(CCCC2)C1 257997074 573296523 /nfs/dbraw/zinc/29/65/23/573296523.db2.gz LKYKLTYURHMHGS-MRVPVSSYSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+]CC1(c2ccccc2)CC2(CC2)C1 83174323 573437036 /nfs/dbraw/zinc/43/70/36/573437036.db2.gz IKJQPANXIKAQIY-UHFFFAOYSA-N 1 0 187.286 2.457 50 0 AEAARO [NH3+][C@@H]1CCCCC12CCC2 107396489 573557084 /nfs/dbraw/zinc/55/70/84/573557084.db2.gz QSVJDJBEPMCYAZ-MRVPVSSYSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+]C[C@@H]1CCCCC12CCC2 107398643 573561799 /nfs/dbraw/zinc/56/17/99/573561799.db2.gz VBOVSEFZYTYEDN-VIFPVBQESA-N 1 0 153.269 2.306 50 0 AEAARO CC(F)(F)[C@H](C[NH3+])c1ccccc1 257832368 573569562 /nfs/dbraw/zinc/56/95/62/573569562.db2.gz KAUQRHNVCSCHIB-SECBINFHSA-N 1 0 185.217 2.384 50 0 AEAARO C[NH2+][C@H](C)Cc1ccc(F)cc1F 50886098 572937792 /nfs/dbraw/zinc/93/77/92/572937792.db2.gz CHIXUELEUNIOLJ-SSDOTTSWSA-N 1 0 185.217 2.115 50 0 AEAARO CC[NH2+]Cc1ccc2cccnc2c1 82442186 573038307 /nfs/dbraw/zinc/03/83/07/573038307.db2.gz OMNIGRQKZLDLKX-UHFFFAOYSA-N 1 0 186.258 2.344 50 0 AEAARO CC(C)(C)[C@@H]([NH3+])C1(O)CCCCC1 115347837 573183248 /nfs/dbraw/zinc/18/32/48/573183248.db2.gz FVZDQPOHMMDSJD-SECBINFHSA-N 1 0 185.311 2.055 50 0 AEAARO CC(F)(F)c1cccc(C[NH3+])c1 107268220 573461472 /nfs/dbraw/zinc/46/14/72/573461472.db2.gz MKCZZRQZQCQBDJ-UHFFFAOYSA-N 1 0 171.190 2.257 50 0 AEAARO FC(F)(F)CC[C@@H]1CCCC[NH2+]1 107459755 573622218 /nfs/dbraw/zinc/62/22/18/573622218.db2.gz DZVCWLYSYPZGEX-ZETCQYMHSA-N 1 0 181.201 2.471 50 0 AEAARO Cc1ccc([C@@H](F)C[NH3+])cc1C 108286806 573727979 /nfs/dbraw/zinc/72/79/79/573727979.db2.gz LJRGIBLPPADDQK-JTQLQIEISA-N 1 0 167.227 2.273 50 0 AEAARO Cc1ccc([C@H](F)C[NH3+])cc1C 108286804 573730732 /nfs/dbraw/zinc/73/07/32/573730732.db2.gz LJRGIBLPPADDQK-SNVBAGLBSA-N 1 0 167.227 2.273 50 0 AEAARO [NH3+]C[C@H]1CC[C@H]1c1ccccc1 84252046 573772839 /nfs/dbraw/zinc/77/28/39/573772839.db2.gz JTSHFZDOMOCTGE-MNOVXSKESA-N 1 0 161.248 2.139 50 0 AEAARO CC(C)[C@H]1CC[C@@H]([NH3+])CC1 100115437 573772849 /nfs/dbraw/zinc/77/28/49/573772849.db2.gz MFRKYEJMLQUSJX-KYZUINATSA-N 1 0 141.258 2.160 50 0 AEAARO Cc1ccc([C@H]([NH3+])[C@@]2(C)CCCO2)o1 87229924 573839088 /nfs/dbraw/zinc/83/90/88/573839088.db2.gz YSSOSLLMPJZTLY-WDEREUQCSA-N 1 0 195.262 2.157 50 0 AEAARO Cc1ccc([C@@H]([NH3+])[C@]2(C)CCCO2)o1 87229923 573840054 /nfs/dbraw/zinc/84/00/54/573840054.db2.gz YSSOSLLMPJZTLY-MNOVXSKESA-N 1 0 195.262 2.157 50 0 AEAARO [NH3+][C@@H]1CCc2c1cc(F)c(F)c2F 104491470 574009609 /nfs/dbraw/zinc/00/96/09/574009609.db2.gz JOPSVKRIFHMXHN-SSDOTTSWSA-N 1 0 187.164 2.050 50 0 AEAARO C[C@]([NH3+])(Cc1ccccc1)C(F)F 87688207 574016350 /nfs/dbraw/zinc/01/63/50/574016350.db2.gz UYRIUPLMVDLJGK-JTQLQIEISA-N 1 0 185.217 2.212 50 0 AEAARO C[C@@]([NH3+])(Cc1ccccc1)C(F)F 87688206 574016645 /nfs/dbraw/zinc/01/66/45/574016645.db2.gz UYRIUPLMVDLJGK-SNVBAGLBSA-N 1 0 185.217 2.212 50 0 AEAARO C=Cc1ccc(CCC[NH3+])cc1 79424140 1169104447 /nfs/dbraw/zinc/10/44/47/1169104447.db2.gz CNCUSWDGADCPJZ-UHFFFAOYSA-N 1 0 161.248 2.221 50 0 AEAARO Cc1cc(CC(C)C)ncc1N 255187148 673921301 /nfs/dbraw/zinc/92/13/01/673921301.db2.gz BMZKQCILLYRWNY-UHFFFAOYSA-N 1 0 164.252 2.171 50 0 in-vitro AEAARO CC1(C)CCC(=O)C[C@H]1[NH+]1CCCC1 725362752 673940572 /nfs/dbraw/zinc/94/05/72/673940572.db2.gz VZQFWRBRSGAVSX-LLVKDONJSA-N 1 0 195.306 2.230 50 0 AEAARO CCC[C@@H]1CCC(=O)C[C@@H]1[NH+](C)C 725359485 673940680 /nfs/dbraw/zinc/94/06/80/673940680.db2.gz FVLWLHWBEQGQBX-KOLCDFICSA-N 1 0 183.295 2.086 50 0 AEAARO C[NH+](C)[C@H]1CC(=O)CC[C@H]1C(C)(C)C 725361935 673940687 /nfs/dbraw/zinc/94/06/87/673940687.db2.gz QLZVQWHWGZCANY-MNOVXSKESA-N 1 0 197.322 2.332 50 0 AEAARO CC[C@@H]1CCC(=O)C[C@H]1[NH+]1CCCC1 725359993 673940810 /nfs/dbraw/zinc/94/08/10/673940810.db2.gz HWDDQQZPHJLZKY-ZYHUDNBSSA-N 1 0 195.306 2.230 50 0 AEAARO CC[NH+](CC)[C@H]1CC(=O)CC[C@H]1C 725362961 673940826 /nfs/dbraw/zinc/94/08/26/673940826.db2.gz XIFCXABPBMCDHE-KOLCDFICSA-N 1 0 183.295 2.086 50 0 AEAARO CC[NH+](CC)[C@@H]1CC(=O)CCC1(C)C 725360156 673940793 /nfs/dbraw/zinc/94/07/93/673940793.db2.gz IIKMTMXXBOKXAU-LLVKDONJSA-N 1 0 197.322 2.476 50 0 AEAARO CC[NH+](CC)[C@H]1CC(=O)CCC1(C)C 725360159 673940848 /nfs/dbraw/zinc/94/08/48/673940848.db2.gz IIKMTMXXBOKXAU-NSHDSACASA-N 1 0 197.322 2.476 50 0 AEAARO CC(C)[C@@H]1[NH2+]CC12CCSCC2 725378689 673940886 /nfs/dbraw/zinc/94/08/86/673940886.db2.gz GWEUYUUZILGGQJ-VIFPVBQESA-N 1 0 185.336 2.128 50 0 AEAARO CC[C@H]1CCC(=O)C[C@@H]1[NH+]1CCCC1 725359991 673940888 /nfs/dbraw/zinc/94/08/88/673940888.db2.gz HWDDQQZPHJLZKY-JQWIXIFHSA-N 1 0 195.306 2.230 50 0 AEAARO C[NH+](C)[C@@H]1CC(=O)CCC12CCCC2 725361486 673940892 /nfs/dbraw/zinc/94/08/92/673940892.db2.gz NKDZTUJZCMBCRO-LLVKDONJSA-N 1 0 195.306 2.230 50 0 AEAARO CC1(C)CCC(=O)C[C@@H]1[NH+]1CCCC1 725362753 673940894 /nfs/dbraw/zinc/94/08/94/673940894.db2.gz VZQFWRBRSGAVSX-NSHDSACASA-N 1 0 195.306 2.230 50 0 AEAARO CC[NH+](CC)[C@@H]1CC(=O)CC[C@@H]1C 725362959 673940897 /nfs/dbraw/zinc/94/08/97/673940897.db2.gz XIFCXABPBMCDHE-GXSJLCMTSA-N 1 0 183.295 2.086 50 0 AEAARO CC[N@H+](C(C)C)[C@H]1CC(=O)CC[C@@H]1C 725363128 673940924 /nfs/dbraw/zinc/94/09/24/673940924.db2.gz YDTCTYYEUPQJMO-JQWIXIFHSA-N 1 0 197.322 2.474 50 0 AEAARO C[NH+](C)[C@H]1CC(=O)CCC12CCCC2 725361488 673941024 /nfs/dbraw/zinc/94/10/24/673941024.db2.gz NKDZTUJZCMBCRO-NSHDSACASA-N 1 0 195.306 2.230 50 0 AEAARO C[C@H]1CCC(=O)C[C@@H]1[NH+]1CCCCC1 725362992 673941054 /nfs/dbraw/zinc/94/10/54/673941054.db2.gz XWGVPOQXZZETGY-JQWIXIFHSA-N 1 0 195.306 2.230 50 0 AEAARO CCC[C@@H]1CCC(=O)C[C@H]1[NH+](C)C 725359486 673941084 /nfs/dbraw/zinc/94/10/84/673941084.db2.gz FVLWLHWBEQGQBX-MWLCHTKSSA-N 1 0 183.295 2.086 50 0 AEAARO CC[C@@H]1CCC(=O)C[C@H]1[N@H+](C)C(C)C 725361256 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JGDPWTVQVLPFSB-SNVBAGLBSA-N 1 0 197.228 2.259 50 0 AEAARO CCC1([NH2+]Cc2cc(C)no2)CCC1 389298754 572885751 /nfs/dbraw/zinc/88/57/51/572885751.db2.gz HVVWDXOOXXSHDI-UHFFFAOYSA-N 1 0 194.278 2.405 50 0 AEAARO C[NH2+][C@@H](C)Cc1ccc(F)cc1F 50886097 572936776 /nfs/dbraw/zinc/93/67/76/572936776.db2.gz CHIXUELEUNIOLJ-ZETCQYMHSA-N 1 0 185.217 2.115 50 0 AEAARO CC(C)([NH3+])Cc1ccc(F)cc1F 50885607 572938067 /nfs/dbraw/zinc/93/80/67/572938067.db2.gz ZAWIHARPILBRQM-UHFFFAOYSA-N 1 0 185.217 2.245 50 0 AEAARO Cc1cccc2c1[C@H]([NH3+])CCC2 104531649 572997529 /nfs/dbraw/zinc/99/75/29/572997529.db2.gz JJPWZYSXFHCIHW-SNVBAGLBSA-N 1 0 161.248 2.331 50 0 AEAARO [NH3+][C@@H]1CC[C@@H]1c1ccc(F)cc1F 87935216 573011952 /nfs/dbraw/zinc/01/19/52/573011952.db2.gz MIICFTXUHREFGA-PSASIEDQSA-N 1 0 183.201 2.170 50 0 AEAARO C[C@@H](C[NH3+])c1cccc2cccnc12 88107655 573067873 /nfs/dbraw/zinc/06/78/73/573067873.db2.gz CLVJFVRNPUQOAB-VIFPVBQESA-N 1 0 186.258 2.297 50 0 AEAARO C[C@H](C[NH3+])c1cccc2cccnc12 88107656 573068710 /nfs/dbraw/zinc/06/87/10/573068710.db2.gz CLVJFVRNPUQOAB-SECBINFHSA-N 1 0 186.258 2.297 50 0 AEAARO CC(C)C[C@@H]1CC[C@H]([NH3+])C1 77260335 573102174 /nfs/dbraw/zinc/10/21/74/573102174.db2.gz VVUYXYQEODWUGF-IUCAKERBSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)C[C@@H]1CC[C@@H]([NH3+])C1 77260337 573105002 /nfs/dbraw/zinc/10/50/02/573105002.db2.gz VVUYXYQEODWUGF-DTWKUNHWSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)C[C@H]1CC[C@H]([NH3+])C1 77260336 573106410 /nfs/dbraw/zinc/10/64/10/573106410.db2.gz VVUYXYQEODWUGF-BDAKNGLRSA-N 1 0 141.258 2.160 50 0 AEAARO CC[C@H]([NH3+])C1(O)CCCCCCC1 238281005 573120991 /nfs/dbraw/zinc/12/09/91/573120991.db2.gz IEHNVAPDAJZRIE-JTQLQIEISA-N 1 0 185.311 2.199 50 0 AEAARO Cc1cc2c(cc1Cl)[C@H]([NH3+])CO2 104672888 573163845 /nfs/dbraw/zinc/16/38/45/573163845.db2.gz SXAPRIFRYFMVSC-MRVPVSSYSA-N 1 0 183.638 2.041 50 0 AEAARO c1cc2c3c(c1)C[NH2+]C[C@H]3CCC2 82784343 573187643 /nfs/dbraw/zinc/18/76/43/573187643.db2.gz FWXHYOOMTHUMDF-LLVKDONJSA-N 1 0 173.259 2.210 50 0 AEAARO C[NH2+]Cc1c(C)oc2ccccc12 115670868 573210315 /nfs/dbraw/zinc/21/03/15/573210315.db2.gz QVBFBLJFXALUTB-UHFFFAOYSA-N 1 0 175.231 2.461 50 0 AEAARO C[C@]1(c2cccc(F)c2)CCC[NH2+]1 82871525 573248623 /nfs/dbraw/zinc/24/86/23/573248623.db2.gz JJKMTCQWFYVUEY-LLVKDONJSA-N 1 0 179.238 2.424 50 0 AEAARO C[C@@]1(c2cccc(F)c2)CCC[NH2+]1 82871526 573249094 /nfs/dbraw/zinc/24/90/94/573249094.db2.gz JJKMTCQWFYVUEY-NSHDSACASA-N 1 0 179.238 2.424 50 0 AEAARO [NH3+]CC1CC2(CCCCC2)C1 83171501 573439584 /nfs/dbraw/zinc/43/95/84/573439584.db2.gz APYWMMPGEMCQJC-UHFFFAOYSA-N 1 0 153.269 2.306 50 0 AEAARO [NH3+]C1CC2(CCCCCC2)C1 83172651 573440812 /nfs/dbraw/zinc/44/08/12/573440812.db2.gz GUGXXURQIJVSRF-UHFFFAOYSA-N 1 0 153.269 2.448 50 0 AEAARO C[C@H]([NH3+])c1cc(-c2ccccc2)on1 83409266 573484934 /nfs/dbraw/zinc/48/49/34/573484934.db2.gz IHUJKBJQQBXPNV-QMMMGPOBSA-N 1 0 188.230 2.361 50 0 AEAARO Cc1ccc(F)c([C@H](C)[NH3+])c1F 95684759 573556866 /nfs/dbraw/zinc/55/68/66/573556866.db2.gz BQMQHQLWIVKOLZ-LURJTMIESA-N 1 0 171.190 2.293 50 0 AEAARO [NH3+][C@H]1CCCCC12CCC2 107396492 573559410 /nfs/dbraw/zinc/55/94/10/573559410.db2.gz QSVJDJBEPMCYAZ-QMMMGPOBSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+]C[C@H]1CCCCC12CCC2 107398645 573563997 /nfs/dbraw/zinc/56/39/97/573563997.db2.gz VBOVSEFZYTYEDN-SECBINFHSA-N 1 0 153.269 2.306 50 0 AEAARO CC(F)(F)[C@@H](C[NH3+])c1ccccc1 257832369 573570544 /nfs/dbraw/zinc/57/05/44/573570544.db2.gz KAUQRHNVCSCHIB-VIFPVBQESA-N 1 0 185.217 2.384 50 0 AEAARO FC(F)(F)CC[C@H]1CCCC[NH2+]1 107459758 573623914 /nfs/dbraw/zinc/62/39/14/573623914.db2.gz DZVCWLYSYPZGEX-SSDOTTSWSA-N 1 0 181.201 2.471 50 0 AEAARO CCc1nc(C)cc(C)c1OC(C)=O 22590037 573688776 /nfs/dbraw/zinc/68/87/76/573688776.db2.gz BHRKRLRYWRZJIZ-UHFFFAOYSA-N 1 0 193.246 2.186 50 0 AEAARO [NH3+]CCc1cccc(C2CC2)c1 87012265 573740676 /nfs/dbraw/zinc/74/06/76/573740676.db2.gz YIQNTUJZSGGQQT-UHFFFAOYSA-N 1 0 161.248 2.065 50 0 AEAARO C1=CCC2(CCCCC2)[NH2+]C1 238099875 573775973 /nfs/dbraw/zinc/77/59/73/573775973.db2.gz XPVVRJGWFFXXAQ-UHFFFAOYSA-N 1 0 151.253 2.239 50 0 AEAARO Cc1ccc2cccnc2c1C[NH3+] 238529688 573811400 /nfs/dbraw/zinc/81/14/00/573811400.db2.gz WSJDZOMZYXCRRR-UHFFFAOYSA-N 1 0 172.231 2.002 50 0 AEAARO C1CCCC([C@H]2CC[NH2+]2)CC1 84330810 573834478 /nfs/dbraw/zinc/83/44/78/573834478.db2.gz LOXCVXPUUCWXAC-SNVBAGLBSA-N 1 0 153.269 2.319 50 0 AEAARO Cc1ccc([C@@H]([NH3+])[C@@]2(C)CCCO2)o1 87229925 573841518 /nfs/dbraw/zinc/84/15/18/573841518.db2.gz YSSOSLLMPJZTLY-GHMZBOCLSA-N 1 0 195.262 2.157 50 0 AEAARO CC1(C)C[C@]1([NH3+])Cc1ccccc1 84333078 573859758 /nfs/dbraw/zinc/85/97/58/573859758.db2.gz SAJITYZBSVJUIL-GFCCVEGCSA-N 1 0 175.275 2.357 50 0 AEAARO C[NH2+][C@H](C)c1ccc(Cl)cn1 87286128 573863293 /nfs/dbraw/zinc/86/32/93/573863293.db2.gz VUBSUCPNROIAGJ-ZCFIWIBFSA-N 1 0 170.643 2.015 50 0 AEAARO [NH3+]C1(c2cc(F)c(F)cc2F)CC1 104469889 573996851 /nfs/dbraw/zinc/99/68/51/573996851.db2.gz VCIVYIULZCKYGM-UHFFFAOYSA-N 1 0 187.164 2.052 50 0 AEAARO [NH3+][C@H]1CCc2c1cc(F)c(F)c2F 104491462 574010232 /nfs/dbraw/zinc/01/02/32/574010232.db2.gz JOPSVKRIFHMXHN-ZETCQYMHSA-N 1 0 187.164 2.050 50 0 AEAARO CCCCCC[n+]1ccn(C)c1C 2506536 486708727 /nfs/dbraw/zinc/70/87/27/486708727.db2.gz SWWLEHMBKPSRSI-UHFFFAOYSA-N 1 0 181.303 2.201 50 0 in-vitro AEAARO C[C@@H]1Cc2cc([C@@H](C)[NH3+])ccc2O1 6523832 486710498 /nfs/dbraw/zinc/71/04/98/486710498.db2.gz CVNWHOLBLSNSPO-HTQZYQBOSA-N 1 0 177.247 2.030 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2 6523835 486710525 /nfs/dbraw/zinc/71/05/25/486710525.db2.gz CVNWHOLBLSNSPO-SFYZADRCSA-N 1 0 177.247 2.030 50 0 in-vitro AEAARO CCc1cc(OCC[NH3+])ccc1Cl 37024322 486718485 /nfs/dbraw/zinc/71/84/85/486718485.db2.gz AHFWCXRMZYYFOX-UHFFFAOYSA-N 1 0 199.681 2.240 50 0 AEAARO CCSc1ccccc1CC[NH3+] 82617272 486820189 /nfs/dbraw/zinc/82/01/89/486820189.db2.gz NIBONBPTLNZGKS-UHFFFAOYSA-N 1 0 181.304 2.300 50 0 AEAARO [NH3+]CCCCCCC(F)(F)F 147772892 486957403 /nfs/dbraw/zinc/95/74/03/486957403.db2.gz HLKNPPZFMYCEMV-UHFFFAOYSA-N 1 0 169.190 2.458 50 0 AEAARO C[C@@H]1CC[N@H+](C)[C@H]2C=CC=C[C@@H]12 299804388 487139372 /nfs/dbraw/zinc/13/93/72/487139372.db2.gz ZPUHWDZKMKLWRN-VWYCJHECSA-N 1 0 163.264 2.069 50 0 AEAARO CC(C)[C@H]1[NH2+]CC12CCCC2 299805291 487139415 /nfs/dbraw/zinc/13/94/15/487139415.db2.gz HLTAWPYPYZTWSS-SECBINFHSA-N 1 0 153.269 2.175 50 0 AEAARO c1coc([C@@H]2[NH2+]CC23CCC3)c1 299805327 487139437 /nfs/dbraw/zinc/13/94/37/487139437.db2.gz JCVSXUVOBGFGEF-VIFPVBQESA-N 1 0 163.220 2.094 50 0 AEAARO C[C@@H]1CC[N@H+](C)[C@@H]2C=CC=C[C@@H]21 299804387 487139495 /nfs/dbraw/zinc/13/94/95/487139495.db2.gz ZPUHWDZKMKLWRN-GMTAPVOTSA-N 1 0 163.264 2.069 50 0 AEAARO c1coc([C@H]2[NH2+]CC23CCC3)c1 299805326 487139504 /nfs/dbraw/zinc/13/95/04/487139504.db2.gz JCVSXUVOBGFGEF-SECBINFHSA-N 1 0 163.220 2.094 50 0 AEAARO CC(C)[C@@H]1[NH2+]CC12CCCC2 299805292 487139541 /nfs/dbraw/zinc/13/95/41/487139541.db2.gz HLTAWPYPYZTWSS-VIFPVBQESA-N 1 0 153.269 2.175 50 0 AEAARO [NH3+]CCC1(C(F)(F)F)CCC1 642882042 487310987 /nfs/dbraw/zinc/31/09/87/487310987.db2.gz XAPDKINLWUOIIP-UHFFFAOYSA-N 1 0 167.174 2.068 50 0 AEAARO Cc1ccc2cnccc2c1C[NH3+] 238531038 582552417 /nfs/dbraw/zinc/55/24/17/582552417.db2.gz LDRFLLYZUAHJGS-UHFFFAOYSA-N 1 0 172.231 2.002 50 0 AEAARO CC[C@H]([NH3+])c1cc(F)ccc1OC 20470550 582703874 /nfs/dbraw/zinc/70/38/74/582703874.db2.gz VGBNOCWJQXZQGH-VIFPVBQESA-N 1 0 183.226 2.244 50 0 AEAARO CC[C@@H]([NH3+])c1cc(F)ccc1OC 20470549 582704093 /nfs/dbraw/zinc/70/40/93/582704093.db2.gz VGBNOCWJQXZQGH-SECBINFHSA-N 1 0 183.226 2.244 50 0 AEAARO C[NH2+]CC1=Cc2ccccc2O[C@H]1C 828429871 583513180 /nfs/dbraw/zinc/51/31/80/583513180.db2.gz HWBUQXMIZVUNCQ-VIFPVBQESA-N 1 0 189.258 2.070 50 0 biogenic AEAARO C[NH2+]CC1=Cc2ccccc2O[C@@H]1C 828429866 583513363 /nfs/dbraw/zinc/51/33/63/583513363.db2.gz HWBUQXMIZVUNCQ-SECBINFHSA-N 1 0 189.258 2.070 50 0 biogenic AEAARO CC[C@@H]1CCC[C@@H]([NH3+])CC1 78724731 490024830 /nfs/dbraw/zinc/02/48/30/490024830.db2.gz VUMCNIBSQNVQEI-RKDXNWHRSA-N 1 0 141.258 2.304 50 0 AEAARO CC[C@H]1CCC[C@@H]([NH3+])CC1 78724733 490024855 /nfs/dbraw/zinc/02/48/55/490024855.db2.gz VUMCNIBSQNVQEI-DTWKUNHWSA-N 1 0 141.258 2.304 50 0 AEAARO CC[C@@H]1CCC[C@H]([NH3+])CC1 78724728 490024888 /nfs/dbraw/zinc/02/48/88/490024888.db2.gz VUMCNIBSQNVQEI-BDAKNGLRSA-N 1 0 141.258 2.304 50 0 AEAARO CC[C@H]1CCC[C@H]([NH3+])CC1 78724729 490024945 /nfs/dbraw/zinc/02/49/45/490024945.db2.gz VUMCNIBSQNVQEI-IUCAKERBSA-N 1 0 141.258 2.304 50 0 AEAARO CC1=C(C)[N+](=O)[C@@H]2CCCC[C@@H]2N1O 104324978 697633573 /nfs/dbraw/zinc/63/35/73/697633573.db2.gz OJORUCFYPFGJEU-VHSXEESVSA-N 1 0 197.258 2.033 50 0 AEAARO CC1=C(C)[N+](=O)[C@@H]2CCCC[C@H]2N1O 104324982 697633582 /nfs/dbraw/zinc/63/35/82/697633582.db2.gz OJORUCFYPFGJEU-NXEZZACHSA-N 1 0 197.258 2.033 50 0 AEAARO CC[C@@H]([NH3+])C1(O)CCC(C)(C)CC1 958528326 698189768 /nfs/dbraw/zinc/18/97/68/698189768.db2.gz MYTHYQCTUNGUOL-SECBINFHSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])C1(O)CCC(C)(C)CC1 958528327 698189829 /nfs/dbraw/zinc/18/98/29/698189829.db2.gz MYTHYQCTUNGUOL-VIFPVBQESA-N 1 0 185.311 2.055 50 0 AEAARO CCC[C@H]([NH3+])[C@]1(O)CCC[C@H](C)C1 958527918 698189876 /nfs/dbraw/zinc/18/98/76/698189876.db2.gz IPQOXRPEZFIUNN-DCAQKATOSA-N 1 0 185.311 2.055 50 0 AEAARO CCC[C@H]([NH3+])[C@@]1(O)CCC[C@H](C)C1 958527920 698189891 /nfs/dbraw/zinc/18/98/91/698189891.db2.gz IPQOXRPEZFIUNN-GARJFASQSA-N 1 0 185.311 2.055 50 0 AEAARO [NH3+][C@H](C1CC1)C1(O)CCCCCCC1 958527478 698189896 /nfs/dbraw/zinc/18/98/96/698189896.db2.gz ACMGVHCBENCVOR-LLVKDONJSA-N 1 0 197.322 2.199 50 0 AEAARO CC[C@H]([NH3+])[C@@]1(O)CCCC(C)(C)C1 958527603 698189905 /nfs/dbraw/zinc/18/99/05/698189905.db2.gz BBFRZBFMAXPMRD-GXSJLCMTSA-N 1 0 185.311 2.055 50 0 AEAARO CCC1CCC(O)([C@@H]([NH3+])CC)CC1 958527600 698189918 /nfs/dbraw/zinc/18/99/18/698189918.db2.gz AXZBCJDOUXRRAE-YVNMAJEFSA-N 1 0 185.311 2.055 50 0 AEAARO CCC[C@H]([NH3+])[C@]1(O)CCC[C@@H](C)C1 958527924 698189926 /nfs/dbraw/zinc/18/99/26/698189926.db2.gz IPQOXRPEZFIUNN-VWYCJHECSA-N 1 0 185.311 2.055 50 0 AEAARO CCC1CCC(O)([C@H]([NH3+])CC)CC1 958527599 698189930 /nfs/dbraw/zinc/18/99/30/698189930.db2.gz AXZBCJDOUXRRAE-HSOILSAZSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@@H]([NH3+])[C@@]1(O)CCCC(C)(C)C1 958527605 698189940 /nfs/dbraw/zinc/18/99/40/698189940.db2.gz BBFRZBFMAXPMRD-MWLCHTKSSA-N 1 0 185.311 2.055 50 0 AEAARO [NH3+][C@@H](C1CC1)C1(O)CCCCCCC1 958527479 698189974 /nfs/dbraw/zinc/18/99/74/698189974.db2.gz ACMGVHCBENCVOR-NSHDSACASA-N 1 0 197.322 2.199 50 0 AEAARO CCC[C@H]([NH3+])[C@@]1(O)CCC[C@@H](C)C1 958527922 698189992 /nfs/dbraw/zinc/18/99/92/698189992.db2.gz IPQOXRPEZFIUNN-OUAUKWLOSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@]1(O)CCCC(C)(C)C1 958527606 698190000 /nfs/dbraw/zinc/19/00/00/698190000.db2.gz BBFRZBFMAXPMRD-ONGXEEELSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@@H]([NH3+])[C@]1(O)CCCC(C)(C)C1 958527604 698190020 /nfs/dbraw/zinc/19/00/20/698190020.db2.gz BBFRZBFMAXPMRD-KOLCDFICSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@]1(O)CCC[C@@H](C)CC1 958528590 698190101 /nfs/dbraw/zinc/19/01/01/698190101.db2.gz VTTBEXYOHQEXNO-VWYCJHECSA-N 1 0 185.311 2.055 50 0 AEAARO CC(C)(C)C[C@H]([NH3+])C1(O)CCCC1 958528592 698190146 /nfs/dbraw/zinc/19/01/46/698190146.db2.gz WCVQKDBRIHHVOC-VIFPVBQESA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@]1(O)CCC[C@H](C)CC1 958528587 698190378 /nfs/dbraw/zinc/19/03/78/698190378.db2.gz VTTBEXYOHQEXNO-DCAQKATOSA-N 1 0 185.311 2.055 50 0 AEAARO CC(C)(C)C[C@@H]([NH3+])C1(O)CCCC1 958528591 698190427 /nfs/dbraw/zinc/19/04/27/698190427.db2.gz WCVQKDBRIHHVOC-SECBINFHSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@@]1(O)CCC[C@@H](C)CC1 958528589 698190431 /nfs/dbraw/zinc/19/04/31/698190431.db2.gz VTTBEXYOHQEXNO-OUAUKWLOSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@@]1(O)CCC[C@H](C)CC1 958528588 698190436 /nfs/dbraw/zinc/19/04/36/698190436.db2.gz VTTBEXYOHQEXNO-GARJFASQSA-N 1 0 185.311 2.055 50 0 AEAARO [NH3+]CC1CCc2ccccc2CC1 146241242 325624561 /nfs/dbraw/zinc/62/45/61/325624561.db2.gz ODWKXKBJPNAYPI-UHFFFAOYSA-N 1 0 175.275 2.140 50 0 AEAARO Nc1cccc(Nc2ccccc2)[nH+]1 83825404 325608897 /nfs/dbraw/zinc/60/88/97/325608897.db2.gz FCNRZONWSGOYKL-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 AEAARO C[C@]1(C2CCCCC2)CC[NH2+]1 84178856 325609164 /nfs/dbraw/zinc/60/91/64/325609164.db2.gz ZQYYIYFCEPZLKJ-SNVBAGLBSA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO c1cc(N2CCCCC2)cc[nH+]1 331742 132178508 /nfs/dbraw/zinc/17/85/08/132178508.db2.gz MTPBUCCXRGSDCR-UHFFFAOYSA-N 1 0 162.236 2.072 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1N1CCCCC1 158930 132178515 /nfs/dbraw/zinc/17/85/15/132178515.db2.gz VNNYEXSABSADDW-UHFFFAOYSA-N 1 0 190.290 2.136 50 0 in-vitro AEAARO [NH3+]Cc1cccc(N2CCCCC2)c1 4272165 132180117 /nfs/dbraw/zinc/18/01/17/132180117.db2.gz BISSHLVDQOLHNQ-UHFFFAOYSA-N 1 0 190.290 2.136 50 0 in-vitro AEAARO CC1CCN(c2cc[nH+]cc2)CC1 5192042 132181405 /nfs/dbraw/zinc/18/14/05/132181405.db2.gz FGWQRDGADJMULT-UHFFFAOYSA-N 1 0 176.263 2.318 50 0 AEAARO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccccc1 238856162 136418327 /nfs/dbraw/zinc/41/83/27/136418327.db2.gz VDXNKYRHOGJFPI-GDPRMGEGSA-N 1 0 161.248 2.137 50 0 in-vitro AEAARO COc1ccccc1C1CC[NH2+]CC1 158157 342929278 /nfs/dbraw/zinc/92/92/78/342929278.db2.gz SRAVSVBVHDLLPO-UHFFFAOYSA-N 1 0 191.274 2.162 50 0 in-vitro AEAARO Cc1cc(C[NH3+])c(C(F)(F)F)o1 158512 342929773 /nfs/dbraw/zinc/92/97/73/342929773.db2.gz ROYYYTOVBUUPDX-UHFFFAOYSA-N 1 0 179.141 2.066 50 0 in-vitro AEAARO CC1CCC([N@@H+]2CCC[C@@H]2CO)CC1 217509 342931667 /nfs/dbraw/zinc/93/16/67/342931667.db2.gz XFLXUPIJACULKK-HTAVTVPLSA-N 1 0 197.322 2.022 50 0 AEAARO CC1CCC([NH2+]C[C@@H]2CCCO2)CC1 220601 342931677 /nfs/dbraw/zinc/93/16/77/342931677.db2.gz PXDDZIWTUJYLBQ-MCIGGMRASA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO Cc1ccc(C)n1-c1cc[nH+]cc1 198129 342931681 /nfs/dbraw/zinc/93/16/81/342931681.db2.gz JSXRQETUPRRBJE-UHFFFAOYSA-N 1 0 172.231 2.489 50 0 AEAARO CCc1ccc2[nH]cc(CC[NH3+])c2c1 200993 342931694 /nfs/dbraw/zinc/93/16/94/342931694.db2.gz HNICQKBUQQHUMM-UHFFFAOYSA-N 1 0 188.274 2.232 50 0 biogenic AEAARO C[C@H]([NH3+])Cc1cn(C)c2ccccc12 204376 342931708 /nfs/dbraw/zinc/93/17/08/342931708.db2.gz JCKSLVLEMICSDG-VIFPVBQESA-N 1 0 188.274 2.068 50 0 AEAARO CC[n+]1cccc2cc(OC)ccc21 270661 342932413 /nfs/dbraw/zinc/93/24/13/342932413.db2.gz OOGUQQIJHLLJDC-UHFFFAOYSA-N 1 0 188.250 2.156 50 0 AEAARO C[C@@]12Nc3ccccc3[C@@]1(C)CC[NH2+]2 270802 342932434 /nfs/dbraw/zinc/93/24/34/342932434.db2.gz YRGOWDBYXNBWFD-VXGBXAGGSA-N 1 0 188.274 2.079 50 0 biogenic AEAARO CCC[N@H+](CCO)CC1CCCCC1 277501 342932835 /nfs/dbraw/zinc/93/28/35/342932835.db2.gz ITYKOHONPPUVHK-UHFFFAOYSA-N 1 0 199.338 2.271 50 0 AEAARO COc1ccccc1C[NH+]1CCCC1 277440 342932882 /nfs/dbraw/zinc/93/28/82/342932882.db2.gz ISUHSQYAFAENJM-UHFFFAOYSA-N 1 0 191.274 2.291 50 0 AEAARO [NH3+]C1([C@@H]2CCCCC2=O)CCCCC1 322425 342933282 /nfs/dbraw/zinc/93/32/82/342933282.db2.gz BIZJPDCHNWABJF-SNVBAGLBSA-N 1 0 195.306 2.407 50 0 AEAARO [NH3+]C1([C@H]2CCCCC2=O)CCCCC1 322423 342933288 /nfs/dbraw/zinc/93/32/88/342933288.db2.gz BIZJPDCHNWABJF-JTQLQIEISA-N 1 0 195.306 2.407 50 0 AEAARO C[NH+](C)Cc1ccccc1Cl 332448 342933725 /nfs/dbraw/zinc/93/37/25/342933725.db2.gz MZKKJAOOPDDXQQ-UHFFFAOYSA-N 1 0 169.655 2.402 50 0 AEAARO CC(C)Cn1c(N)[nH+]c2ccccc21 1457025 342945706 /nfs/dbraw/zinc/94/57/06/342945706.db2.gz JQDRVJGZDDZXKH-UHFFFAOYSA-N 1 0 189.262 2.275 50 0 in-vitro AEAARO CC1CC[NH+](Cc2cccnc2)CC1 1619774 342952560 /nfs/dbraw/zinc/95/25/60/342952560.db2.gz POAJSVBPXQOKQI-UHFFFAOYSA-N 1 0 190.290 2.314 50 0 AEAARO CC(C)c1ccc(CC[NH3+])cc1 1628279 342953022 /nfs/dbraw/zinc/95/30/22/342953022.db2.gz ZBLQKSNIFYXZTI-UHFFFAOYSA-N 1 0 163.264 2.311 50 0 in-vitro AEAARO CC[C@H](C)[NH2+][C@@H](C)CC 1648189 342954248 /nfs/dbraw/zinc/95/42/48/342954248.db2.gz OBYVIBDTOCAXSN-YUMQZZPRSA-N 1 0 129.247 2.173 50 0 AEAARO CC[C@H](C)[NH2+][C@H](C)CC 1648191 342954249 /nfs/dbraw/zinc/95/42/49/342954249.db2.gz OBYVIBDTOCAXSN-OCAPTIKFSA-N 1 0 129.247 2.173 50 0 AEAARO CC[C@H]([NH3+])c1ccccc1 1665102 342955230 /nfs/dbraw/zinc/95/52/30/342955230.db2.gz AQFLVLHRZFLDDV-VIFPVBQESA-N 1 0 135.210 2.096 50 0 in-vitro AEAARO CC1(C)CCCC(C)(C)[NH2+]1 1680076 342957565 /nfs/dbraw/zinc/95/75/65/342957565.db2.gz RKMGAJGJIURJSJ-UHFFFAOYSA-N 1 0 141.258 2.317 50 0 in-vitro AEAARO C[C@H]([NH3+])[C@H](C)c1ccccc1 1670067 342955972 /nfs/dbraw/zinc/95/59/72/342955972.db2.gz BKRHEVJTTWAYFJ-IUCAKERBSA-N 1 0 149.237 2.137 50 0 in-vitro AEAARO c1ccc(CC[NH+]2CCCC2)cc1 1668322 342955995 /nfs/dbraw/zinc/95/59/95/342955995.db2.gz KLUCWWVQVUXBSE-UHFFFAOYSA-N 1 0 175.275 2.325 50 0 AEAARO C[C@H]([NH3+])[C@@H](C)c1ccccc1 1670066 342956016 /nfs/dbraw/zinc/95/60/16/342956016.db2.gz BKRHEVJTTWAYFJ-BDAKNGLRSA-N 1 0 149.237 2.137 50 0 in-vitro AEAARO CCCC[C@H](CC)C[NH3+] 2041133 342969050 /nfs/dbraw/zinc/96/90/50/342969050.db2.gz LTHNHFOGQMKPOV-QMMMGPOBSA-N 1 0 129.247 2.162 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1cccs1 2046352 342969192 /nfs/dbraw/zinc/96/91/92/342969192.db2.gz MKSQLXYFWYXTSM-ZCFIWIBFSA-N 1 0 141.239 2.158 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1ccc(Cl)s1 1996238 342965834 /nfs/dbraw/zinc/96/58/34/342965834.db2.gz KBRSVPQQFOBHLK-YFKPBYRVSA-N 1 0 175.684 2.291 50 0 AEAARO CC[C@@H]([NH2+]C)c1ccccc1OC 1999385 342965854 /nfs/dbraw/zinc/96/58/54/342965854.db2.gz AQJWUFYHPCPVOG-SNVBAGLBSA-N 1 0 179.263 2.366 50 0 in-man AEAARO C[C@H]([NH3+])CCCCc1ccco1 2025141 342967235 /nfs/dbraw/zinc/96/72/35/342967235.db2.gz USHYOUHIULPRTN-VIFPVBQESA-N 1 0 167.252 2.340 50 0 AEAARO CC[C@H]([NH3+])c1nc2cc(C)ccc2[nH]1 2559705 342976518 /nfs/dbraw/zinc/97/65/18/342976518.db2.gz UAUIXCLRTQDOOJ-QMMMGPOBSA-N 1 0 189.262 2.281 50 0 in-vitro AEAARO C[NH+](C)Cc1c[nH]c2cccc(F)c12 2572394 342978127 /nfs/dbraw/zinc/97/81/27/342978127.db2.gz GPYAFVBWLYCAMD-UHFFFAOYSA-N 1 0 192.237 2.369 50 0 in-vitro AEAARO CCCC[N@H+](C)C1CCN(CC)CC1 2499038 342972466 /nfs/dbraw/zinc/97/24/66/342972466.db2.gz DCOHWNATZOGSIB-UHFFFAOYSA-N 1 0 198.354 2.203 50 0 AEAARO Cc1cc([C@H](C)[NH3+])c(C)s1 3705316 342983642 /nfs/dbraw/zinc/98/36/42/342983642.db2.gz FCVVALGYYCPMEM-LURJTMIESA-N 1 0 155.266 2.385 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc(Cl)s1 3705313 342983680 /nfs/dbraw/zinc/98/36/80/342983680.db2.gz POVBCAPIAGIBEW-BYPYZUCNSA-N 1 0 161.657 2.421 50 0 in-vitro AEAARO CC1CCC([NH+]2CCC(O)CC2)CC1 3683461 342983683 /nfs/dbraw/zinc/98/36/83/342983683.db2.gz HJAAXWVUVVDWIG-UHFFFAOYSA-N 1 0 197.322 2.022 50 0 AEAARO Cc1cccc([C@@H](C)[NH3+])c1 3705300 342983691 /nfs/dbraw/zinc/98/36/91/342983691.db2.gz HIJMHAFOUAKOMS-MRVPVSSYSA-N 1 0 135.210 2.015 50 0 in-vitro AEAARO C[C@H]1C[NH2+][C@@H](c2cccc(F)c2)C1 3704348 342983701 /nfs/dbraw/zinc/98/37/01/342983701.db2.gz RIMKUHAYBHYAHQ-LDYMZIIASA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO Cc1cccc(C[C@H]2CCC[NH2+]2)c1 3732329 342984175 /nfs/dbraw/zinc/98/41/75/342984175.db2.gz UAEQLPGVHXUHDC-GFCCVEGCSA-N 1 0 175.275 2.290 50 0 in-vitro AEAARO CCCCC[C@@H]1CCC[NH2+]1 3732230 342984212 /nfs/dbraw/zinc/98/42/12/342984212.db2.gz LVLVZGGJJOWJSU-SECBINFHSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO CC(C)[C@H]1CCCCC[NH2+]1 3734866 342984460 /nfs/dbraw/zinc/98/44/60/342984460.db2.gz VZKZJBJGKDYTLW-SECBINFHSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[C@H](C)[C@H]1CCCC[NH2+]1 3734453 342984500 /nfs/dbraw/zinc/98/45/00/342984500.db2.gz CGPFWODSWBWMPM-DTWKUNHWSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO Cc1cccc(C[C@@H]2CCCC[NH2+]2)n1 3734808 342984503 /nfs/dbraw/zinc/98/45/03/342984503.db2.gz QVERAWNJZFXRIH-NSHDSACASA-N 1 0 190.290 2.075 50 0 in-vitro AEAARO CC[C@H](C)[C@@H]1CCCC[NH2+]1 3734455 342984525 /nfs/dbraw/zinc/98/45/25/342984525.db2.gz CGPFWODSWBWMPM-IUCAKERBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCCC[C@H]1CCCC[NH2+]1 3734596 342984534 /nfs/dbraw/zinc/98/45/34/342984534.db2.gz PCNXNSPEWIRGJO-VIFPVBQESA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO C[C@H]1CC[NH2+][C@H]1c1cccc(F)c1 3733789 342984539 /nfs/dbraw/zinc/98/45/39/342984539.db2.gz IQQBNOLXXCPPQW-GZMMTYOYSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO CN(C)C(=[NH2+])Nc1cccc(Cl)c1 3098205 342980847 /nfs/dbraw/zinc/98/08/47/342980847.db2.gz HNIDNQGBEAELQX-UHFFFAOYSA-N 1 0 197.669 2.248 50 0 AEAARO CC1(C)[C@@H]([NH3+])[C@@]2(C)CC[C@@H]1C2 4288810 342990132 /nfs/dbraw/zinc/99/01/32/342990132.db2.gz CBYXIIFIKSBHEY-MRTMQBJTSA-N 1 0 153.269 2.160 50 0 AEAARO Cc1ccc(C[NH2+]C(C)C)o1 4298821 342990400 /nfs/dbraw/zinc/99/04/00/342990400.db2.gz MLJWSCJPKNQKOG-UHFFFAOYSA-N 1 0 153.225 2.086 50 0 in-vitro AEAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH3+] 4300891 342990409 /nfs/dbraw/zinc/99/04/09/342990409.db2.gz RBMUAGDCCJDQLE-KXUCPTDWSA-N 1 0 155.285 2.406 50 0 in-vitro AEAARO Cc1cccnc1C[C@@H]1CCCC[NH2+]1 4234844 342989524 /nfs/dbraw/zinc/98/95/24/342989524.db2.gz VOYJHTZESOYWER-NSHDSACASA-N 1 0 190.290 2.075 50 0 AEAARO CC[C@@H]([NH3+])c1ccc(F)cc1 4503374 342992205 /nfs/dbraw/zinc/99/22/05/342992205.db2.gz BWZFVQWUKNCKQL-SECBINFHSA-N 1 0 153.200 2.236 50 0 in-vitro AEAARO CCCC[C@]1(O)C[C@H](C)[N@H+](C)C[C@@H]1C 4611542 342993509 /nfs/dbraw/zinc/99/35/09/342993509.db2.gz PPZFTLDTFSBLGL-SRVKXCTJSA-N 1 0 199.338 2.268 50 0 AEAARO Cc1cc(C)cc(OC[C@@H](C)[NH3+])c1 4779405 342995447 /nfs/dbraw/zinc/99/54/47/342995447.db2.gz DPLCQNGJZJXXPM-SNVBAGLBSA-N 1 0 179.263 2.029 50 0 in-vitro AEAARO Cc1cccc(Cl)c1C[NH3+] 5218660 342999931 /nfs/dbraw/zinc/99/99/31/342999931.db2.gz WPQIAYXZZULKMV-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 AEAARO Cc1cc2ccccc2n1CCC[NH3+] 4943304 342996867 /nfs/dbraw/zinc/99/68/67/342996867.db2.gz SSIWTLDIAFCSBL-UHFFFAOYSA-N 1 0 188.274 2.299 50 0 in-vitro AEAARO C[NH+](C)[C@H]1CCc2ccccc2C1 5599758 343005537 /nfs/dbraw/zinc/00/55/37/343005537.db2.gz WGCDXGZYCIMFTN-LBPRGKRZSA-N 1 0 175.275 2.106 50 0 AEAARO C[NH+](C)[C@@H]1CCCc2ccccc2C1 5689235 343006707 /nfs/dbraw/zinc/00/67/07/343006707.db2.gz SPBHOHWGKSNKRC-CYBMUJFWSA-N 1 0 189.302 2.496 50 0 AEAARO C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 5699387 343006760 /nfs/dbraw/zinc/00/67/60/343006760.db2.gz AAARTTJTRNAYHQ-ZJUUUORDSA-N 1 0 153.269 2.271 50 0 AEAARO Cc1ccc([C@H]([NH3+])c2cccnc2)cc1 6677929 343016070 /nfs/dbraw/zinc/01/60/70/343016070.db2.gz AKNMQRAKXSIYTE-ZDUSSCGKSA-N 1 0 198.269 2.438 50 0 AEAARO CCCC[C@H]1CCC[NH2+]C1 6778748 343016409 /nfs/dbraw/zinc/01/64/09/343016409.db2.gz HWWOYRDUDOPLLL-VIFPVBQESA-N 1 0 141.258 2.176 50 0 AEAARO Cc1cc2[nH+]c3n(c2cc1C)CCN3 6793978 343016455 /nfs/dbraw/zinc/01/64/55/343016455.db2.gz UXZUSVSBPUJMKQ-UHFFFAOYSA-N 1 0 187.246 2.079 50 0 AEAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+] 8580511 343019005 /nfs/dbraw/zinc/01/90/05/343019005.db2.gz RBMUAGDCCJDQLE-UTLUCORTSA-N 1 0 155.285 2.406 50 0 in-vitro AEAARO CCCC[NH2+]C1CCCC1 10473498 343022108 /nfs/dbraw/zinc/02/21/08/343022108.db2.gz IDSLZDNFOXAOHR-UHFFFAOYSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO Cc1ccc(CCCC[NH3+])cc1 11596929 343022990 /nfs/dbraw/zinc/02/29/90/343022990.db2.gz QFTRAKDGILOCCY-UHFFFAOYSA-N 1 0 163.264 2.276 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1cccc(Cl)c1 11596635 343023015 /nfs/dbraw/zinc/02/30/15/343023015.db2.gz ORWQJKNRYUIFJU-ZETCQYMHSA-N 1 0 169.655 2.230 50 0 in-vitro AEAARO CC(C)c1ccc2c(c1)C[NH2+]CC2 11597008 343023074 /nfs/dbraw/zinc/02/30/74/343023074.db2.gz ATSWFNCSCWWCIQ-UHFFFAOYSA-N 1 0 175.275 2.456 50 0 AEAARO C[C@H](CC[NH3+])c1ccccc1 11629489 343023531 /nfs/dbraw/zinc/02/35/31/343023531.db2.gz HJMCIHLESAJJQL-SECBINFHSA-N 1 0 149.237 2.139 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1nc(C)c(C)s1 11631721 343023537 /nfs/dbraw/zinc/02/35/37/343023537.db2.gz HOXJDEYOCZAXRB-SSDOTTSWSA-N 1 0 170.281 2.170 50 0 in-vitro AEAARO Cc1csc([C@H]([NH3+])CC(C)C)n1 11631839 343023572 /nfs/dbraw/zinc/02/35/72/343023572.db2.gz TWPQNUCUVNAICC-MRVPVSSYSA-N 1 0 184.308 2.497 50 0 AEAARO Cc1nc(C2CC[NH2+]CC2)sc1C 11632067 343023613 /nfs/dbraw/zinc/02/36/13/343023613.db2.gz IZGFVUPBFHMCIE-UHFFFAOYSA-N 1 0 196.319 2.227 50 0 AEAARO CC[C@H]([NH3+])c1ccc2c(c1)C[C@H](C)O2 11729953 343024075 /nfs/dbraw/zinc/02/40/75/343024075.db2.gz ZZHKIYFEXZSVMA-KWQFWETISA-N 1 0 191.274 2.420 50 0 AEAARO CC[C@@H]([NH3+])c1ccc(OC)c(C)c1 9245925 343021043 /nfs/dbraw/zinc/02/10/43/343021043.db2.gz MECIQEXMKYMTBM-SNVBAGLBSA-N 1 0 179.263 2.413 50 0 AEAARO Cc1ccc(OCC[NH2+]C(C)C)cc1 12137854 343028167 /nfs/dbraw/zinc/02/81/67/343028167.db2.gz FDLNWIWPYNPXRN-UHFFFAOYSA-N 1 0 193.290 2.372 50 0 AEAARO C[C@H]([NH3+])c1ccc2c(c1)CCCO2 11729974 343024083 /nfs/dbraw/zinc/02/40/83/343024083.db2.gz WLBMOPWNFNFERN-QMMMGPOBSA-N 1 0 177.247 2.031 50 0 AEAARO Cc1ccc([C@@H]2CC[NH2+]C2)cc1 15020854 343041397 /nfs/dbraw/zinc/04/13/97/343041397.db2.gz ZHJRWNCIVYOGSJ-LLVKDONJSA-N 1 0 161.248 2.072 50 0 in-vitro AEAARO CCC[NH2+]C1Cc2ccccc2C1 15424433 343041788 /nfs/dbraw/zinc/04/17/88/343041788.db2.gz OYJSAKGCKMRLQO-UHFFFAOYSA-N 1 0 175.275 2.153 50 0 in-vitro AEAARO CCCCOCC[C@@H]1CCCC[NH2+]1 15442126 343042098 /nfs/dbraw/zinc/04/20/98/343042098.db2.gz LJVABYDBMYMAOQ-NSHDSACASA-N 1 0 185.311 2.335 50 0 in-vitro AEAARO CCC(CC)[NH2+]C(C)C 15443526 343042103 /nfs/dbraw/zinc/04/21/03/343042103.db2.gz ARBUIJSYBRAYHH-UHFFFAOYSA-N 1 0 129.247 2.173 50 0 in-vitro AEAARO Cc1cccc(C[NH2+]C(C)C)c1 15635637 343042680 /nfs/dbraw/zinc/04/26/80/343042680.db2.gz VYALSSNVODXUNL-UHFFFAOYSA-N 1 0 163.264 2.493 50 0 AEAARO C[NH2+]CCCSc1ccccc1 19094200 343051534 /nfs/dbraw/zinc/05/15/34/343051534.db2.gz JTKPZAFRQHLJTA-UHFFFAOYSA-N 1 0 181.304 2.388 50 0 AEAARO C[NH2+]CCOc1cccc(C(C)C)c1 19094299 343051551 /nfs/dbraw/zinc/05/15/51/343051551.db2.gz GVDLSLFIXNOTER-UHFFFAOYSA-N 1 0 193.290 2.408 50 0 in-vitro AEAARO C[NH2+]CCOc1c(C)ccc(C)c1C 19094349 343051552 /nfs/dbraw/zinc/05/15/52/343051552.db2.gz RTTLXBNDMMUNGQ-UHFFFAOYSA-N 1 0 193.290 2.210 50 0 in-vitro AEAARO C[NH2+]CCCOc1cccc(C)c1C 19094267 343051555 /nfs/dbraw/zinc/05/15/55/343051555.db2.gz CBKXZUFRYJGKDB-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO Cc1ccc(C[C@H](C)[NH3+])c(C)c1 19391843 343054001 /nfs/dbraw/zinc/05/40/01/343054001.db2.gz APKRQZWEAZTOTA-JTQLQIEISA-N 1 0 163.264 2.193 50 0 AEAARO CC(C)OCc1ccccc1C[NH3+] 19403808 343054378 /nfs/dbraw/zinc/05/43/78/343054378.db2.gz RCGPYNYIKTWLFA-UHFFFAOYSA-N 1 0 179.263 2.070 50 0 in-vitro AEAARO Cc1ccc([C@H](C)C[NH3+])cc1 19726052 343059069 /nfs/dbraw/zinc/05/90/69/343059069.db2.gz OSYBUIYEZRXUGS-SECBINFHSA-N 1 0 149.237 2.057 50 0 in-vitro AEAARO C[NH2+]C/C(C)=C/c1ccccc1 19776887 343060454 /nfs/dbraw/zinc/06/04/54/343060454.db2.gz BNPOQSIKPUBUEH-CSKARUKUSA-N 1 0 161.248 2.309 50 0 AEAARO CCCCc1[nH]c2ccc(N)cc2[nH+]1 19431685 343055247 /nfs/dbraw/zinc/05/52/47/343055247.db2.gz QWQYWLVNKZCGIM-UHFFFAOYSA-N 1 0 189.262 2.488 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccc(C)o1 19514571 343057254 /nfs/dbraw/zinc/05/72/54/343057254.db2.gz VZWAFXJLGBCIRK-UHFFFAOYSA-N 1 0 153.225 2.088 50 0 AEAARO CC1CCC([N@H+](C)CCN(C)C)CC1 19636129 343057659 /nfs/dbraw/zinc/05/76/59/343057659.db2.gz ZCLMRFRSMMXNNJ-UHFFFAOYSA-N 1 0 198.354 2.059 50 0 AEAARO CN(C)CC[NH2+]C1CCCCCCC1 19635890 343057669 /nfs/dbraw/zinc/05/76/69/343057669.db2.gz CCZKYXAEYPUZFT-UHFFFAOYSA-N 1 0 198.354 2.251 50 0 AEAARO CC[C@@H]([NH3+])c1ccc(F)c(F)c1 19968390 343065323 /nfs/dbraw/zinc/06/53/23/343065323.db2.gz LWTZLRLBBSSNEN-SECBINFHSA-N 1 0 171.190 2.375 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1ccc(F)cc1F 19968930 343065349 /nfs/dbraw/zinc/06/53/49/343065349.db2.gz OPQILGGBYNHAGG-SECBINFHSA-N 1 0 171.190 2.375 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1cc(F)ccc1F 19969434 343065741 /nfs/dbraw/zinc/06/57/41/343065741.db2.gz IUWLMRUTNCGJPI-VIFPVBQESA-N 1 0 171.190 2.375 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1cc(F)ccc1F 19969433 343065743 /nfs/dbraw/zinc/06/57/43/343065743.db2.gz IUWLMRUTNCGJPI-SECBINFHSA-N 1 0 171.190 2.375 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1ccc(F)cc1F 19968931 343065812 /nfs/dbraw/zinc/06/58/12/343065812.db2.gz OPQILGGBYNHAGG-VIFPVBQESA-N 1 0 171.190 2.375 50 0 in-vitro AEAARO Cc1ccc(C[NH+]2CCCC2)cc1N 20071398 343066661 /nfs/dbraw/zinc/06/66/61/343066661.db2.gz QKXXPDZHWSZSBB-UHFFFAOYSA-N 1 0 190.290 2.173 50 0 AEAARO CC(C)Oc1cccc(CCC[NH3+])c1 20216378 343069443 /nfs/dbraw/zinc/06/94/43/343069443.db2.gz XWZGSBPBALQENT-UHFFFAOYSA-N 1 0 193.290 2.365 50 0 AEAARO Cc1ccc2c(C[C@@H](C)[NH3+])c[nH]c2c1 20269433 343070958 /nfs/dbraw/zinc/07/09/58/343070958.db2.gz ZXBLNWCKQUBOJA-SECBINFHSA-N 1 0 188.274 2.366 50 0 AEAARO Cc1cccc(OCC[NH2+]C2CC2)c1 20361142 343072506 /nfs/dbraw/zinc/07/25/06/343072506.db2.gz LUVQDOPJNGGUDF-UHFFFAOYSA-N 1 0 191.274 2.126 50 0 AEAARO CC1(C)C[C@H]([NH3+])c2cc(F)ccc2O1 21987214 343077154 /nfs/dbraw/zinc/07/71/54/343077154.db2.gz LLWCBPNSRBRTGN-VIFPVBQESA-N 1 0 195.237 2.387 50 0 AEAARO C[NH2+]C1[C@H](C)CCC[C@H]1C 22150040 343079869 /nfs/dbraw/zinc/07/98/69/343079869.db2.gz BWVAXYOVGQELNQ-HTQZYQBOSA-N 1 0 141.258 2.031 50 0 in-vitro AEAARO Cc1ccc([C@H](C)[NH2+]C2CC2)o1 22174886 343080289 /nfs/dbraw/zinc/08/02/89/343080289.db2.gz LDPCGLJPVDMZDK-QMMMGPOBSA-N 1 0 165.236 2.401 50 0 AEAARO CC(C)[C@@H]([NH3+])c1cccc(F)c1 21299388 343075208 /nfs/dbraw/zinc/07/52/08/343075208.db2.gz HMXNHQBIMAWDSQ-SNVBAGLBSA-N 1 0 167.227 2.482 50 0 AEAARO C[C@H]([NH2+]C1CC1)c1ccco1 22219557 343081389 /nfs/dbraw/zinc/08/13/89/343081389.db2.gz KKEABNOYKSGCRM-ZETCQYMHSA-N 1 0 151.209 2.093 50 0 in-vitro AEAARO Cc1cccc(C[NH2+]C2CC2)c1 22562114 343081913 /nfs/dbraw/zinc/08/19/13/343081913.db2.gz LJBFNXZKZYKGFY-UHFFFAOYSA-N 1 0 161.248 2.247 50 0 AEAARO C[C@H]1CCC[N@H+](Cc2cccnc2)C1 23281370 343083422 /nfs/dbraw/zinc/08/34/22/343083422.db2.gz JMPSDJQPJOLPOA-NSHDSACASA-N 1 0 190.290 2.314 50 0 AEAARO CN(C)CC[N@H+](C)CC1CCCCC1 23281711 343083436 /nfs/dbraw/zinc/08/34/36/343083436.db2.gz DEDCTVPEOSSSRL-UHFFFAOYSA-N 1 0 198.354 2.060 50 0 AEAARO CC[C@H]1C[NH2+]Cc2ccccc21 23584605 343084019 /nfs/dbraw/zinc/08/40/19/343084019.db2.gz KQSKDBNSOXTNLO-VIFPVBQESA-N 1 0 161.248 2.283 50 0 AEAARO CC[C@H]([NH3+])Cc1ccc(C)cc1 32006240 343095719 /nfs/dbraw/zinc/09/57/19/343095719.db2.gz STYLTFHVTUCTSI-NSHDSACASA-N 1 0 163.264 2.275 50 0 in-vitro AEAARO CC(C)[C@@H]([NH3+])Cc1ccccc1 32006242 343095760 /nfs/dbraw/zinc/09/57/60/343095760.db2.gz AKXXBEHEYPLJPX-NSHDSACASA-N 1 0 163.264 2.212 50 0 AEAARO CC[C@@H]([NH3+])Cc1ccc(F)cc1 32006461 343095795 /nfs/dbraw/zinc/09/57/95/343095795.db2.gz ZMIKPURLVPIOCM-SNVBAGLBSA-N 1 0 167.227 2.106 50 0 in-vitro AEAARO C[C@H]([NH3+])CCc1cccc(F)c1 28313704 343091900 /nfs/dbraw/zinc/09/19/00/343091900.db2.gz CBTPZQTYRUCYFI-QMMMGPOBSA-N 1 0 167.227 2.106 50 0 in-vitro AEAARO CC[C@H](Cc1ccccc1)[NH2+]C 32219209 343101400 /nfs/dbraw/zinc/10/14/00/343101400.db2.gz ONNVUALDGIKEIJ-LLVKDONJSA-N 1 0 163.264 2.227 50 0 in-vitro AEAARO Cc1ccc2c(N)[nH+]ccc2c1 32501162 343102424 /nfs/dbraw/zinc/10/24/24/343102424.db2.gz KPFDDEKLIBIDOA-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 in-vitro AEAARO CC[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)cc1 32009833 343097163 /nfs/dbraw/zinc/09/71/63/343097163.db2.gz GYXZLJYNWLGGLH-ZJUUUORDSA-N 1 0 199.681 2.111 50 0 AEAARO CC[C@H]([NH3+])[C@@H](O)c1ccc(Cl)cc1 32009835 343097189 /nfs/dbraw/zinc/09/71/89/343097189.db2.gz GYXZLJYNWLGGLH-UWVGGRQHSA-N 1 0 199.681 2.111 50 0 AEAARO Cc1cc2[nH+]ccc(N)c2cc1C 32099409 343097598 /nfs/dbraw/zinc/09/75/98/343097598.db2.gz RVSUQWRJJVMGPB-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO C[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 33950042 343108119 /nfs/dbraw/zinc/10/81/19/343108119.db2.gz FJRLSRUBXMUSOC-KXUCPTDWSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 34113768 343110863 /nfs/dbraw/zinc/11/08/63/343110863.db2.gz HFEXFNQMPMZRKF-JQWIXIFHSA-N 1 0 175.275 2.400 50 0 AEAARO CC1([NH3+])CCCCCC1 34327613 343116749 /nfs/dbraw/zinc/11/67/49/343116749.db2.gz PIBQUPOHNJFBQR-UHFFFAOYSA-N 1 0 127.231 2.058 50 0 in-vitro AEAARO CC[C@@H]([NH3+])C1CCCCC1 34354946 343117186 /nfs/dbraw/zinc/11/71/86/343117186.db2.gz UJAHMMDIDKVNLK-SECBINFHSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO C[C@H]1CCc2ccccc2[C@@H]1[NH3+] 34277065 343115345 /nfs/dbraw/zinc/11/53/45/343115345.db2.gz UOTBRMOSRTZZGB-GZMMTYOYSA-N 1 0 161.248 2.269 50 0 in-vitro AEAARO Cc1cc2ccccc2c(N)[nH+]1 34278378 343115417 /nfs/dbraw/zinc/11/54/17/343115417.db2.gz SXNUAJKLSKTYGC-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 AEAARO Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c1 36056696 343140587 /nfs/dbraw/zinc/14/05/87/343140587.db2.gz CVLBTLKIZRFOFZ-JLLWLGSASA-N 1 0 175.275 2.446 50 0 in-vitro AEAARO CC(C)c1[nH+]c2ccccn2c1N 36221996 343141702 /nfs/dbraw/zinc/14/17/02/343141702.db2.gz SGPYJSZLWOAHAD-UHFFFAOYSA-N 1 0 175.235 2.040 50 0 AEAARO Cc1c[nH+]c(NC2CCCC2)c(N)c1 36226360 343142372 /nfs/dbraw/zinc/14/23/72/343142372.db2.gz HLMWYXXWPNYSBO-UHFFFAOYSA-N 1 0 191.278 2.327 50 0 AEAARO CCCC[N@@H+]1Cc2cccc(N)c2C1 36683453 343148070 /nfs/dbraw/zinc/14/80/70/343148070.db2.gz MZJPCZPYCHIABC-UHFFFAOYSA-N 1 0 190.290 2.385 50 0 in-vitro AEAARO CCCC[N@@H+]1Cc2ccc(N)cc2C1 36683452 343148230 /nfs/dbraw/zinc/14/82/30/343148230.db2.gz AZIHCNZTNDHDQH-UHFFFAOYSA-N 1 0 190.290 2.385 50 0 in-vitro AEAARO Cc1ccc([C@@H]2OCC[NH2+][C@H]2C)cc1 36965092 343156964 /nfs/dbraw/zinc/15/69/64/343156964.db2.gz NWNCIXFIIDVRKE-CMPLNLGQSA-N 1 0 191.274 2.044 50 0 AEAARO CC[C@H]1CCCCN1C[C@@H]1CCC[NH2+]1 37083510 343159235 /nfs/dbraw/zinc/15/92/35/343159235.db2.gz FCJGOADSNIRJKH-RYUDHWBXSA-N 1 0 196.338 2.003 50 0 AEAARO CC[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]1 37083509 343159239 /nfs/dbraw/zinc/15/92/39/343159239.db2.gz FCJGOADSNIRJKH-NWDGAFQWSA-N 1 0 196.338 2.003 50 0 AEAARO CC[C@H]1CCCCN1[C@@H]1CCC[NH2+]C1 37246901 343164438 /nfs/dbraw/zinc/16/44/38/343164438.db2.gz BRUXPGUKBGQGAT-NWDGAFQWSA-N 1 0 196.338 2.003 50 0 AEAARO Cc1cccc(C2([NH3+])CCC2)c1 37382627 343167348 /nfs/dbraw/zinc/16/73/48/343167348.db2.gz WYGNDYDYKIVPFG-UHFFFAOYSA-N 1 0 161.248 2.333 50 0 AEAARO CC[C@H]1[NH2+]CCO[C@H]1c1ccccc1 37405138 343167799 /nfs/dbraw/zinc/16/77/99/343167799.db2.gz DOMAVIHZFHQQHF-NEPJUHHUSA-N 1 0 191.274 2.126 50 0 AEAARO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1O 37490741 343171938 /nfs/dbraw/zinc/17/19/38/343171938.db2.gz GGTMVHIRPRQMJX-GHMZBOCLSA-N 1 0 185.311 2.068 50 0 AEAARO Cc1ccc(NC2CC[NH2+]CC2)cc1 38040608 343183447 /nfs/dbraw/zinc/18/34/47/343183447.db2.gz RUDYFATVFHYYBS-UHFFFAOYSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1cccc(NC2CC[NH2+]CC2)c1 38040463 343183692 /nfs/dbraw/zinc/18/36/92/343183692.db2.gz JGBUGLFDHDBOOV-UHFFFAOYSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cccc2cccnc12 38888193 343192083 /nfs/dbraw/zinc/19/20/83/343192083.db2.gz JNGWMTGFGBBLEE-QMMMGPOBSA-N 1 0 172.231 2.255 50 0 AEAARO Cc1cc(C[N@H+]2CCC[C@H](C)C2)on1 40013565 343214695 /nfs/dbraw/zinc/21/46/95/343214695.db2.gz SUOJFBJOAUTTOI-VIFPVBQESA-N 1 0 194.278 2.215 50 0 AEAARO Cc1cc(C[N@H+]2CCCC[C@@H]2C)no1 39985825 343214948 /nfs/dbraw/zinc/21/49/48/343214948.db2.gz OXNZQDHNVHQVQX-VIFPVBQESA-N 1 0 194.278 2.357 50 0 AEAARO CCC(CC)[NH2+][C@H](CO)CC(C)C 40773815 343223099 /nfs/dbraw/zinc/22/30/99/343223099.db2.gz YOVKECZSFKJZST-NSHDSACASA-N 1 0 187.327 2.172 50 0 AEAARO CC1([NH3+])C2CC3CC(C2)CC1C3 40865734 343223599 /nfs/dbraw/zinc/22/35/99/343223599.db2.gz ISCRIAGJXHTUGT-UHFFFAOYSA-N 1 0 165.280 2.160 50 0 AEAARO CC[C@](C)([NH3+])c1nc(C)cs1 41059530 343229691 /nfs/dbraw/zinc/22/96/91/343229691.db2.gz IENJVAGPJNDVCO-QMMMGPOBSA-N 1 0 170.281 2.035 50 0 in-vitro AEAARO CC(C)[C@@H](C[NH3+])Cc1ccccc1 41200006 343231549 /nfs/dbraw/zinc/23/15/49/343231549.db2.gz HJKKLLPDJVIPSF-GFCCVEGCSA-N 1 0 177.291 2.460 50 0 in-vitro AEAARO Cc1cc(F)ccc1C[C@@H](C)[NH3+] 44460939 343265802 /nfs/dbraw/zinc/26/58/02/343265802.db2.gz SPUZCOUJPWSYHA-MRVPVSSYSA-N 1 0 167.227 2.024 50 0 AEAARO C[C@H]([NH3+])CCC1CCCC1 48733099 343275029 /nfs/dbraw/zinc/27/50/29/343275029.db2.gz OQJXKOJEDVTBEB-QMMMGPOBSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO Cc1ccc2ncccc2c1C[NH3+] 49584891 343276216 /nfs/dbraw/zinc/27/62/16/343276216.db2.gz HEDUOIPDMFNVLB-UHFFFAOYSA-N 1 0 172.231 2.002 50 0 in-vitro AEAARO CC[C@H](C[NH3+])Oc1ccccc1Cl 49834096 343277334 /nfs/dbraw/zinc/27/73/34/343277334.db2.gz QKADNCAHLNNHCV-MRVPVSSYSA-N 1 0 199.681 2.456 50 0 in-vitro AEAARO Cc1cccnc1[C@H]([NH3+])C(C)C 49850122 343277347 /nfs/dbraw/zinc/27/73/47/343277347.db2.gz UIAXRTSXHFFHTJ-SECBINFHSA-N 1 0 164.252 2.046 50 0 in-vitro AEAARO C[C@H](C[NH3+])Sc1ccccc1 49934293 343277356 /nfs/dbraw/zinc/27/73/56/343277356.db2.gz GEWLMDUFZJLYOD-MRVPVSSYSA-N 1 0 167.277 2.126 50 0 in-vitro AEAARO Cc1cc(C)cc([C@@H]2CC[NH2+]C2)c1 50267072 343280695 /nfs/dbraw/zinc/28/06/95/343280695.db2.gz WTMVNGMGSPDKIQ-LLVKDONJSA-N 1 0 175.275 2.380 50 0 in-vitro AEAARO Cc1cc(C)cc([C@H]2CC[NH2+]C2)c1 50267073 343280718 /nfs/dbraw/zinc/28/07/18/343280718.db2.gz WTMVNGMGSPDKIQ-NSHDSACASA-N 1 0 175.275 2.380 50 0 in-vitro AEAARO Cc1[nH+]c2ccccc2c(N)c1C 50868599 343286212 /nfs/dbraw/zinc/28/62/12/343286212.db2.gz RHCZWEOWXYZBFW-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO Cc1ccc(C[NH3+])c(OCC2CC2)c1 51580779 343290222 /nfs/dbraw/zinc/29/02/22/343290222.db2.gz GXAPIMYYDXLUEU-UHFFFAOYSA-N 1 0 191.274 2.243 50 0 in-vitro AEAARO C[C@H]1[NH2+]CC[C@H]1c1ccc(F)c(F)c1 51953945 343296561 /nfs/dbraw/zinc/29/65/61/343296561.db2.gz OTMSVRWOJMNAQZ-VXNVDRBHSA-N 1 0 197.228 2.430 50 0 AEAARO CC(C)n1c(N)[nH+]c2ccc(F)cc21 52122755 343300425 /nfs/dbraw/zinc/30/04/25/343300425.db2.gz VNNRWCLRWOTCAC-UHFFFAOYSA-N 1 0 193.225 2.339 50 0 AEAARO C[C@@]1(c2ccccc2Cl)C[C@H]1[NH3+] 52126483 343301011 /nfs/dbraw/zinc/30/10/11/343301011.db2.gz QKTFYTDULQXOHA-ZJUUUORDSA-N 1 0 181.666 2.329 50 0 in-vitro AEAARO Cc1cccnc1[C@@H]([NH3+])C(C)(C)C 52232269 343302667 /nfs/dbraw/zinc/30/26/67/343302667.db2.gz YYCWWTRKRRLKER-SNVBAGLBSA-N 1 0 178.279 2.436 50 0 AEAARO Cc1ccc([C@H]2[NH2+]CCS2)cc1 52537820 343306646 /nfs/dbraw/zinc/30/66/46/343306646.db2.gz NLKGQUAQKCOAHV-JTQLQIEISA-N 1 0 179.288 2.330 50 0 in-vitro AEAARO Cc1ccc([C@@H]2[NH2+]CCS2)cc1 52537819 343306688 /nfs/dbraw/zinc/30/66/88/343306688.db2.gz NLKGQUAQKCOAHV-SNVBAGLBSA-N 1 0 179.288 2.330 50 0 in-vitro AEAARO Cc1cnc([C@@H]2CCCC[NH2+]2)s1 54158977 343318938 /nfs/dbraw/zinc/31/89/38/343318938.db2.gz XCHXNLPEYKHWFK-QMMMGPOBSA-N 1 0 182.292 2.266 50 0 AEAARO CCC1(C[NH3+])CCCCC1 54635366 343327466 /nfs/dbraw/zinc/32/74/66/343327466.db2.gz CNPQVEJSVQNWMV-UHFFFAOYSA-N 1 0 141.258 2.306 50 0 in-vitro AEAARO CC[C@H]([NH3+])C(=O)c1ccc(Cl)cc1 55466487 343336103 /nfs/dbraw/zinc/33/61/03/343336103.db2.gz PDNICASLNUMGMR-VIFPVBQESA-N 1 0 197.665 2.260 50 0 AEAARO Cc1cc(C)c(C(=O)[C@@H](C)[NH3+])c(C)c1 58399568 343339437 /nfs/dbraw/zinc/33/94/37/343339437.db2.gz AHMUIJUZADHYHZ-SNVBAGLBSA-N 1 0 191.274 2.142 50 0 AEAARO Cc1ccc(SC[C@H](C)[NH3+])cc1 58824672 343341397 /nfs/dbraw/zinc/34/13/97/343341397.db2.gz YVFGOTMVMFCNNB-VIFPVBQESA-N 1 0 181.304 2.434 50 0 in-vitro AEAARO CCc1ccc2c(c1)C[NH2+]CCC2 57935903 343338033 /nfs/dbraw/zinc/33/80/33/343338033.db2.gz RYHJWTLNPMCJKM-UHFFFAOYSA-N 1 0 175.275 2.285 50 0 AEAARO C[C@H]1SCC[NH2+][C@H]1c1ccccc1 68575707 343411234 /nfs/dbraw/zinc/41/12/34/343411234.db2.gz YLKRSWDSQCVVGY-MWLCHTKSSA-N 1 0 193.315 2.453 50 0 in-vitro AEAARO CC(C)[NH2+][C@H](CCO)C1CCCCC1 68592574 343412214 /nfs/dbraw/zinc/41/22/14/343412214.db2.gz RLLUQVBMROUNOS-GFCCVEGCSA-N 1 0 199.338 2.316 50 0 in-vitro AEAARO CC[C@@H](COC)[NH2+]C1CCCCC1 70623613 343506969 /nfs/dbraw/zinc/50/69/69/343506969.db2.gz FQHHKIGGWXFIPM-JTQLQIEISA-N 1 0 185.311 2.334 50 0 AEAARO CC[C@@H](COC)[NH2+]Cc1cccs1 70623749 343506975 /nfs/dbraw/zinc/50/69/75/343506975.db2.gz DUSMKIQAVAOXFS-VIFPVBQESA-N 1 0 199.319 2.263 50 0 AEAARO CC1(C)CCC(C[NH3+])CC1 70654526 343520300 /nfs/dbraw/zinc/52/03/00/343520300.db2.gz CXYBBWRPHLZXBT-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CC1(C)C[C@H]([NH3+])c2ccc(F)cc2O1 72265795 343567952 /nfs/dbraw/zinc/56/79/52/343567952.db2.gz YWKAMJZSIYJVPP-VIFPVBQESA-N 1 0 195.237 2.387 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1cc(OC)cc(OC)c1 74244374 343571683 /nfs/dbraw/zinc/57/16/83/343571683.db2.gz YWGGHZCOYWJAAO-LLVKDONJSA-N 1 0 195.262 2.114 50 0 AEAARO CC[C@H]1CN(C)c2ccccc2C[NH2+]1 74941942 343575590 /nfs/dbraw/zinc/57/55/90/343575590.db2.gz ODVFFHXGAPVFAD-NSHDSACASA-N 1 0 190.290 2.005 50 0 in-vitro AEAARO CC[C@@H]1CN(C)c2ccccc2C[NH2+]1 74941940 343575602 /nfs/dbraw/zinc/57/56/02/343575602.db2.gz ODVFFHXGAPVFAD-LLVKDONJSA-N 1 0 190.290 2.005 50 0 in-vitro AEAARO CC(C)c1c[nH]nc1[C@H]1CCC[NH2+]C1 82387832 343600312 /nfs/dbraw/zinc/60/03/12/343600312.db2.gz AEJICHUDVFIESG-VIFPVBQESA-N 1 0 193.294 2.000 50 0 AEAARO CC(C)[NH2+][C@@H]1CCCc2cccnc21 85789432 343647740 /nfs/dbraw/zinc/64/77/40/343647740.db2.gz MMIUIJWTEXAJOA-LLVKDONJSA-N 1 0 190.290 2.457 50 0 in-vitro AEAARO C[C@H]([NH3+])c1nc(-c2ccccc2)c[nH]1 95483613 343683879 /nfs/dbraw/zinc/68/38/79/343683879.db2.gz XQFMQMXJXWTGON-QMMMGPOBSA-N 1 0 187.246 2.096 50 0 AEAARO CCc1ccccc1C(=O)C(C)(C)[NH3+] 96027217 343692859 /nfs/dbraw/zinc/69/28/59/343692859.db2.gz LADYFIIXFGOFIK-UHFFFAOYSA-N 1 0 191.274 2.169 50 0 AEAARO CC[C@@H]1CCC[C@@H](CC)[NH2+]1 96027408 343692974 /nfs/dbraw/zinc/69/29/74/343692974.db2.gz PPRWPCMILDCTGF-RKDXNWHRSA-N 1 0 141.258 2.317 50 0 AEAARO C[NH2+][C@@H](C)Cc1ccc(C(C)=O)cc1 96027910 343692976 /nfs/dbraw/zinc/69/29/76/343692976.db2.gz CGQRHROGIPQUJJ-VIFPVBQESA-N 1 0 191.274 2.040 50 0 AEAARO C[C@H]1[C@@H](c2ccccc2)C[C@H]1[NH3+] 101701925 343724983 /nfs/dbraw/zinc/72/49/83/343724983.db2.gz XQANGUZDPFHVLC-INTQDDNPSA-N 1 0 161.248 2.137 50 0 AEAARO Brc1ccc2c[nH+]cn2c1 71773538 166009415 /nfs/dbraw/zinc/00/94/15/166009415.db2.gz YLWZYCSSUYSOAW-UHFFFAOYSA-N 1 0 197.035 2.097 50 0 in-vitro AEAARO Brc1ccn2c[nH+]cc2c1 107187239 166009748 /nfs/dbraw/zinc/00/97/48/166009748.db2.gz MMDCOOMHHPUECK-UHFFFAOYSA-N 1 0 197.035 2.097 50 0 AEAARO Brc1cccc2c1C[NH2+]C2 34368321 166009947 /nfs/dbraw/zinc/00/99/47/166009947.db2.gz AMXFGLZWKBYNGE-UHFFFAOYSA-N 1 0 198.063 2.052 50 0 in-vitro AEAARO C(=C/c1ccccc1)\C[NH2+]C1CC1 16450927 166043692 /nfs/dbraw/zinc/04/36/92/166043692.db2.gz ZEHNETYCAGKVGU-QPJJXVBHSA-N 1 0 173.259 2.452 50 0 in-vitro AEAARO C(=C1CC[NH2+]CC1)c1ccccc1 34449201 166044188 /nfs/dbraw/zinc/04/41/88/166044188.db2.gz QMQNIKYRPSFQKB-UHFFFAOYSA-N 1 0 173.259 2.453 50 0 in-vitro AEAARO C(=C/[C@H]1CCC[NH2+]1)\c1ccccc1 33897759 166044259 /nfs/dbraw/zinc/04/42/59/166044259.db2.gz RQGQABZKJKPSSY-IDVQTMNDSA-N 1 0 173.259 2.452 50 0 AEAARO C(=C/[C@@H]1CCC[NH2+]1)\c1ccccc1 15776447 166044741 /nfs/dbraw/zinc/04/47/41/166044741.db2.gz RQGQABZKJKPSSY-BCPZQOPPSA-N 1 0 173.259 2.452 50 0 AEAARO C/C(Cl)=C/C[NH+]1CCCC1 2864806 166055369 /nfs/dbraw/zinc/05/53/69/166055369.db2.gz RLERGDRCKGZICS-YWEYNIOJSA-N 1 0 159.660 2.225 50 0 AEAARO C/C=C(\C)CN(C)CC[NH+](CC)CC 19634589 166059393 /nfs/dbraw/zinc/05/93/93/166059393.db2.gz HNZKSYVZPAMHEK-WUXMJOGZSA-N 1 0 198.354 2.226 50 0 AEAARO C/C=C/c1n(C)c2ccccc2[n+]1C 40719 166066720 /nfs/dbraw/zinc/06/67/20/166066720.db2.gz JOKHYKWKXXSNSX-QPJJXVBHSA-N 1 0 187.266 2.036 50 0 AEAARO C1=C(c2ccccc2)C[NH2+]CC1 75544140 166071774 /nfs/dbraw/zinc/07/17/74/166071774.db2.gz ZKGZDIKALAEIGH-UHFFFAOYSA-N 1 0 159.232 2.063 50 0 in-vitro AEAARO C1=C(c2ccccc2)CC[NH2+]C1 1295150 166072813 /nfs/dbraw/zinc/07/28/13/166072813.db2.gz OMPXTQYWYRWWPH-UHFFFAOYSA-N 1 0 159.232 2.063 50 0 in-vivo AEAARO C1=C([NH+]2CCCC2)CCC1 1652291 166072968 /nfs/dbraw/zinc/07/29/68/166072968.db2.gz KOFSFYBXUYHNJL-UHFFFAOYSA-N 1 0 137.226 2.150 50 0 AEAARO C1=C(c2cccs2)CC[NH2+]C1 19835044 166073522 /nfs/dbraw/zinc/07/35/22/166073522.db2.gz OSTAYIPXDDGKDP-UHFFFAOYSA-N 1 0 165.261 2.125 50 0 in-vitro AEAARO C1=CC2(CC[NH2+]CC2)c2ccccc21 2382874 166073649 /nfs/dbraw/zinc/07/36/49/166073649.db2.gz QXNXVWNYCKUANQ-UHFFFAOYSA-N 1 0 185.270 2.335 50 0 in-vitro AEAARO C1=CC[C@@H](C[NH2+]C[C@@H]2CCCO2)CC1 16957848 166075343 /nfs/dbraw/zinc/07/53/43/166075343.db2.gz TVIFZOAOZVZEEA-NEPJUHHUSA-N 1 0 195.306 2.111 50 0 AEAARO C1=CC[C@H](C[NH2+]C[C@@H]2CCCO2)CC1 5828627 166075391 /nfs/dbraw/zinc/07/53/91/166075391.db2.gz TVIFZOAOZVZEEA-RYUDHWBXSA-N 1 0 195.306 2.111 50 0 AEAARO C1=CC[NH+](Cc2ccccc2)C1 2539471 166075592 /nfs/dbraw/zinc/07/55/92/166075592.db2.gz LRFHKHHUKGZIGE-UHFFFAOYSA-N 1 0 159.232 2.058 50 0 in-vitro AEAARO C1=CC[C@]2(CC1)CCC[NH2+]C2 68591794 166075954 /nfs/dbraw/zinc/07/59/54/166075954.db2.gz OLDQPXDXLMZREX-JTQLQIEISA-N 1 0 151.253 2.096 50 0 in-vitro AEAARO C1=CC[C@@H](C[NH2+]C[C@H]2CCCO2)CC1 16957847 166075982 /nfs/dbraw/zinc/07/59/82/166075982.db2.gz TVIFZOAOZVZEEA-VXGBXAGGSA-N 1 0 195.306 2.111 50 0 AEAARO C1=CC[C@@H]([C@@H]2[NH2+]CCS2)CC1 50522896 166076280 /nfs/dbraw/zinc/07/62/80/166076280.db2.gz MIIPAWFUHXASAT-RKDXNWHRSA-N 1 0 169.293 2.005 50 0 AEAARO C1=CC[N@H+](CCc2ccccc2)CC1 34189249 166076290 /nfs/dbraw/zinc/07/62/90/166076290.db2.gz YIOOFSFSYIFVGA-UHFFFAOYSA-N 1 0 187.286 2.491 50 0 in-vitro AEAARO C1=CC[C@]23CCCC[C@@]2(C1)C[NH2+]C3 3631558 166076514 /nfs/dbraw/zinc/07/65/14/166076514.db2.gz OOPGCDRVXQLGPA-TXEJJXNPSA-N 1 0 177.291 2.486 50 0 AEAARO C1=CC[C@H](C[NH2+]C[C@H]2CCCO2)CC1 16957845 166076523 /nfs/dbraw/zinc/07/65/23/166076523.db2.gz TVIFZOAOZVZEEA-NWDGAFQWSA-N 1 0 195.306 2.111 50 0 AEAARO C1=CC[C@H]([C@H]2[NH2+]CCS2)CC1 50522902 166076578 /nfs/dbraw/zinc/07/65/78/166076578.db2.gz MIIPAWFUHXASAT-IUCAKERBSA-N 1 0 169.293 2.005 50 0 AEAARO C1=CC[C@H]([C@@H]2[NH2+]CCS2)CC1 50522898 166076581 /nfs/dbraw/zinc/07/65/81/166076581.db2.gz MIIPAWFUHXASAT-DTWKUNHWSA-N 1 0 169.293 2.005 50 0 AEAARO C1=CC[C@@H]([C@H]2[NH2+]CCS2)CC1 50522900 166076761 /nfs/dbraw/zinc/07/67/61/166076761.db2.gz MIIPAWFUHXASAT-BDAKNGLRSA-N 1 0 169.293 2.005 50 0 AEAARO C1=CC[C@@]2(CC1)CCC[NH2+]C2 68591789 166076921 /nfs/dbraw/zinc/07/69/21/166076921.db2.gz OLDQPXDXLMZREX-SNVBAGLBSA-N 1 0 151.253 2.096 50 0 in-vitro AEAARO C1=C[C@H]2C[C@@H]1[N@H+](Cc1ccccc1)C2 12505376 166079238 /nfs/dbraw/zinc/07/92/38/166079238.db2.gz LXICLGVNNWLLTE-QWHCGFSZSA-N 1 0 185.270 2.447 50 0 AEAARO C1=Cc2ccccc2C=C[NH2+]1 101792339 166080168 /nfs/dbraw/zinc/08/01/68/166080168.db2.gz YGLDQFWPUCURIP-UHFFFAOYSA-N 1 0 143.189 2.231 50 0 AEAARO C1=C[C@H]2C[C@@H]1C[N@H+]2Cc1ccccc1 2556249 166080234 /nfs/dbraw/zinc/08/02/34/166080234.db2.gz LXICLGVNNWLLTE-OLZOCXBDSA-N 1 0 185.270 2.447 50 0 AEAARO C1CC(COCCC2CC[NH2+]CC2)C1 42774286 166083257 /nfs/dbraw/zinc/08/32/57/166083257.db2.gz BSYXHHVZHXCSTC-UHFFFAOYSA-N 1 0 197.322 2.193 50 0 AEAARO C1CC(C[NH2+]CC2CCC2)C1 72226609 166083577 /nfs/dbraw/zinc/08/35/77/166083577.db2.gz ZISAXGBWLHFPIX-UHFFFAOYSA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CC(COCC[C@@H]2CCC[NH2+]C2)C1 42774289 166083779 /nfs/dbraw/zinc/08/37/79/166083779.db2.gz IIVMJGLCKVKIMY-NSHDSACASA-N 1 0 197.322 2.193 50 0 AEAARO C1CCC(C[NH2+]C2CC2)CC1 3636220 166086666 /nfs/dbraw/zinc/08/66/66/166086666.db2.gz ZJWLQXHJCALARN-UHFFFAOYSA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CCC(C[C@H]2CC[NH2+]C2)C1 70627797 166086715 /nfs/dbraw/zinc/08/67/15/166086715.db2.gz UTZSVDHDAZAMJZ-SNVBAGLBSA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CCC(COC2CC[NH2+]CC2)CC1 14628600 166086824 /nfs/dbraw/zinc/08/68/24/166086824.db2.gz YEYURFMTLRXGBR-UHFFFAOYSA-N 1 0 197.322 2.335 50 0 in-vitro AEAARO C1CCC(CC[NH+]2CCOCC2)CC1 97212702 166087041 /nfs/dbraw/zinc/08/70/41/166087041.db2.gz AXHXZKSNAFWKJC-UHFFFAOYSA-N 1 0 197.322 2.289 50 0 AEAARO C1CCC([NH2+]C2CCC2)CC1 44479836 166087081 /nfs/dbraw/zinc/08/70/81/166087081.db2.gz DAEGQYXZXPYRLA-UHFFFAOYSA-N 1 0 153.269 2.461 50 0 AEAARO C1CCC([NH2+]C2CCCC2)C1 1691308 166087221 /nfs/dbraw/zinc/08/72/21/166087221.db2.gz FUUUBHCENZGYJA-UHFFFAOYSA-N 1 0 153.269 2.461 50 0 in-vitro AEAARO C1CCC(C[NH2+]C[C@H]2CCCO2)CC1 5830088 166087226 /nfs/dbraw/zinc/08/72/26/166087226.db2.gz FVMLUSPSOHJPPW-GFCCVEGCSA-N 1 0 197.322 2.335 50 0 in-vitro AEAARO C1CCC(NC2=[NH+]CCCS2)CC1 3246137 166087335 /nfs/dbraw/zinc/08/73/35/166087335.db2.gz QOUZDUIPGBMLCY-UHFFFAOYSA-N 1 0 198.335 2.402 50 0 in-vitro AEAARO C1CCC(C2CC[NH2+]CC2)C1 62951090 166087400 /nfs/dbraw/zinc/08/74/00/166087400.db2.gz FIRPDCXAJWUFOK-UHFFFAOYSA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CCC([NH+]2CCCC2)CC1 5133630 166087459 /nfs/dbraw/zinc/08/74/59/166087459.db2.gz ULBBXWVIXXPSOD-UHFFFAOYSA-N 1 0 153.269 2.415 50 0 in-vitro AEAARO C1CCC(CCO[C@@H]2CC[NH2+]C2)CC1 14631995 166087487 /nfs/dbraw/zinc/08/74/87/166087487.db2.gz UFSRMGOWOSUGOH-GFCCVEGCSA-N 1 0 197.322 2.335 50 0 AEAARO C1CCC(NC2=[NH+]CCC2)CC1 3189276 166087508 /nfs/dbraw/zinc/08/75/08/166087508.db2.gz SOWFKTZXDMOVMZ-UHFFFAOYSA-N 1 0 166.268 2.101 50 0 AEAARO C1CCC(OC2CC[NH2+]CC2)CC1 19504898 166087656 /nfs/dbraw/zinc/08/76/56/166087656.db2.gz UUKHAODJZMXSOX-UHFFFAOYSA-N 1 0 183.295 2.088 50 0 in-vitro AEAARO C1CCC(NC2=[NH+]CCS2)CC1 12341819 166087731 /nfs/dbraw/zinc/08/77/31/166087731.db2.gz SGMNKDCGMQDDCB-UHFFFAOYSA-N 1 0 184.308 2.012 50 0 in-vitro AEAARO C1CCC(C[C@@H]2CCC[NH2+]2)C1 19386260 166087825 /nfs/dbraw/zinc/08/78/25/166087825.db2.gz HSZUSXHQWZXWGL-JTQLQIEISA-N 1 0 153.269 2.319 50 0 AEAARO C1CCC([NH2+]C2CCOCC2)CC1 20160529 166087850 /nfs/dbraw/zinc/08/78/50/166087850.db2.gz WGSUEWAHEXYQGS-UHFFFAOYSA-N 1 0 183.295 2.088 50 0 in-vitro AEAARO C1CCC(CCO[C@H]2CC[NH2+]C2)CC1 14631997 166088100 /nfs/dbraw/zinc/08/81/00/166088100.db2.gz UFSRMGOWOSUGOH-LBPRGKRZSA-N 1 0 197.322 2.335 50 0 AEAARO C1CCC(COCC2CC[NH2+]CC2)C1 19735442 166088153 /nfs/dbraw/zinc/08/81/53/166088153.db2.gz PNSKOMYBVAGDKM-UHFFFAOYSA-N 1 0 197.322 2.193 50 0 in-vitro AEAARO C1CCC(C[C@@H]2CC[NH2+]C2)C1 70627796 166088173 /nfs/dbraw/zinc/08/81/73/166088173.db2.gz UTZSVDHDAZAMJZ-JTQLQIEISA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CCC([NH2+]CC2CC2)CC1 4401477 166088201 /nfs/dbraw/zinc/08/82/01/166088201.db2.gz RMFCJWJCNWJMMD-UHFFFAOYSA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CCC(CO[C@H]2CCC[NH2+]C2)CC1 14631541 166088247 /nfs/dbraw/zinc/08/82/47/166088247.db2.gz QLDHYPFOYMHZCA-LBPRGKRZSA-N 1 0 197.322 2.335 50 0 AEAARO C1CCC([NH2+]C2CC2)CC1 12480198 166088324 /nfs/dbraw/zinc/08/83/24/166088324.db2.gz MCQSVVAOVRESQK-UHFFFAOYSA-N 1 0 139.242 2.071 50 0 in-vitro AEAARO C1CCC(SC2C[NH2+]C2)CC1 54931809 166088445 /nfs/dbraw/zinc/08/84/45/166088445.db2.gz NKKJBZJFZWIVFM-UHFFFAOYSA-N 1 0 171.309 2.024 50 0 AEAARO C1CCC(C[NH2+]C[C@@H]2CCCO2)CC1 5830086 166088575 /nfs/dbraw/zinc/08/85/75/166088575.db2.gz FVMLUSPSOHJPPW-LBPRGKRZSA-N 1 0 197.322 2.335 50 0 in-vitro AEAARO C1CCC(C[C@H]2CCC[NH2+]2)C1 19386262 166088629 /nfs/dbraw/zinc/08/86/29/166088629.db2.gz HSZUSXHQWZXWGL-SNVBAGLBSA-N 1 0 153.269 2.319 50 0 AEAARO C1CCC(CO[C@@H]2CCC[NH2+]C2)CC1 14631539 166088657 /nfs/dbraw/zinc/08/86/57/166088657.db2.gz QLDHYPFOYMHZCA-GFCCVEGCSA-N 1 0 197.322 2.335 50 0 AEAARO C1CCCC([NH+]2CCNCC2)CCC1 20300020 166088863 /nfs/dbraw/zinc/08/88/63/166088863.db2.gz PXPPUXBOQHHYEJ-UHFFFAOYSA-N 1 0 196.338 2.005 50 0 in-vitro AEAARO C1CCC2(CCCC2)[NH2+]C1 66339394 166089025 /nfs/dbraw/zinc/08/90/25/166089025.db2.gz FIEQFLLZBBTQHY-UHFFFAOYSA-N 1 0 139.242 2.073 50 0 in-vitro AEAARO C1CCC2(CC1)CCCC[NH2+]2 32135364 166089477 /nfs/dbraw/zinc/08/94/77/166089477.db2.gz KFUMPAQRSZKENV-UHFFFAOYSA-N 1 0 153.269 2.463 50 0 AEAARO C1CCC([C@H]2CC[NH2+]C2)CC1 6073439 166089552 /nfs/dbraw/zinc/08/95/52/166089552.db2.gz PJQCUMVGSKEOMN-JTQLQIEISA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CCCC([NH2+]C[C@H]2CCCO2)CC1 4030551 166089577 /nfs/dbraw/zinc/08/95/77/166089577.db2.gz CWMVBRJTIHDXNS-GFCCVEGCSA-N 1 0 197.322 2.478 50 0 AEAARO C1CCCC2(CC1)CC[NH2+]C2 47218705 166089626 /nfs/dbraw/zinc/08/96/26/166089626.db2.gz UYUUEEXDJGLCLY-UHFFFAOYSA-N 1 0 153.269 2.320 50 0 in-vitro AEAARO C1CCC2(CCCC2)C[NH2+]C1 84234447 166089640 /nfs/dbraw/zinc/08/96/40/166089640.db2.gz AYYZVVNDKLUTFW-UHFFFAOYSA-N 1 0 153.269 2.320 50 0 in-vitro AEAARO C1CCCC2(CC1)[NH2+]CCS2 43827725 166089658 /nfs/dbraw/zinc/08/96/58/166089658.db2.gz CSULZRBXXCHWRN-UHFFFAOYSA-N 1 0 171.309 2.373 50 0 AEAARO C1CCC2(CC1)CC[NH2+]CC2 1581015 166089661 /nfs/dbraw/zinc/08/96/61/166089661.db2.gz LIZKZVQBLDHKCY-UHFFFAOYSA-N 1 0 153.269 2.320 50 0 in-vitro AEAARO C1CCC([C@@H]2CC[NH2+]C2)CC1 6073438 166089765 /nfs/dbraw/zinc/08/97/65/166089765.db2.gz PJQCUMVGSKEOMN-SNVBAGLBSA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CCCN(C[C@H]2CCCC[NH2+]2)CC1 38935632 166089778 /nfs/dbraw/zinc/08/97/78/166089778.db2.gz XKPCHBSSELSCOG-GFCCVEGCSA-N 1 0 196.338 2.005 50 0 AEAARO C1CCC2(CC1)CCC[NH2+]C2 2391957 166089814 /nfs/dbraw/zinc/08/98/14/166089814.db2.gz VZUJZECRVUMMJI-UHFFFAOYSA-N 1 0 153.269 2.320 50 0 in-vitro AEAARO C1CCCC([NH+]2CCOCC2)CCC1 55292545 166089881 /nfs/dbraw/zinc/08/98/81/166089881.db2.gz VOJKDISWXZMEPW-UHFFFAOYSA-N 1 0 197.322 2.432 50 0 AEAARO C1CCC2(CC1)CCC[NH2+]2 1570850 166089895 /nfs/dbraw/zinc/08/98/95/166089895.db2.gz LGKNCSVHCNCJQG-UHFFFAOYSA-N 1 0 139.242 2.073 50 0 in-vitro AEAARO C1CCCN(CC[NH2+]C2CCC2)CC1 44481897 166089928 /nfs/dbraw/zinc/08/99/28/166089928.db2.gz SLBCWBMAPLZPQK-UHFFFAOYSA-N 1 0 196.338 2.005 50 0 in-vitro AEAARO C1CCC([C@H]2CCC[NH2+]2)CC1 3732238 166089979 /nfs/dbraw/zinc/08/99/79/166089979.db2.gz KRDXTHSSNCTAGY-SNVBAGLBSA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CCC([C@@H]2CCC[NH2+]C2)C1 39090956 166090139 /nfs/dbraw/zinc/09/01/39/166090139.db2.gz KUNYOMAMUNKINB-SNVBAGLBSA-N 1 0 153.269 2.176 50 0 AEAARO C1CCC([C@@H]2CCC[NH2+]2)CC1 2382431 166090227 /nfs/dbraw/zinc/09/02/27/166090227.db2.gz KRDXTHSSNCTAGY-JTQLQIEISA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CCCC(OC2CC[NH2+]CC2)CC1 40228099 166090229 /nfs/dbraw/zinc/09/02/29/166090229.db2.gz MNWVIEQUJIVXMW-UHFFFAOYSA-N 1 0 197.322 2.478 50 0 in-vitro AEAARO C1CCCC([NH2+]C[C@@H]2CCCO2)CC1 4030550 166090329 /nfs/dbraw/zinc/09/03/29/166090329.db2.gz CWMVBRJTIHDXNS-LBPRGKRZSA-N 1 0 197.322 2.478 50 0 AEAARO C1CCCC([NH+]2CCOCC2)CC1 34161438 166090340 /nfs/dbraw/zinc/09/03/40/166090340.db2.gz OANBWYYAUQHQFP-UHFFFAOYSA-N 1 0 183.295 2.041 50 0 AEAARO C1CCC([C@H]2CCC[NH2+]C2)C1 39090957 166090342 /nfs/dbraw/zinc/09/03/42/166090342.db2.gz KUNYOMAMUNKINB-JTQLQIEISA-N 1 0 153.269 2.176 50 0 AEAARO C1CCCN(C[C@@H]2CCCC[NH2+]2)CC1 38935631 166090381 /nfs/dbraw/zinc/09/03/81/166090381.db2.gz XKPCHBSSELSCOG-LBPRGKRZSA-N 1 0 196.338 2.005 50 0 AEAARO C1CCC2(CC1)C[NH2+]CCS2 72296310 166090385 /nfs/dbraw/zinc/09/03/85/166090385.db2.gz UXMJMQZMIIBTSI-UHFFFAOYSA-N 1 0 171.309 2.026 50 0 in-vitro AEAARO C1CCC2(C1)CCC[NH2+]CC2 78508026 166090395 /nfs/dbraw/zinc/09/03/95/166090395.db2.gz XAJANCPFKPMWGA-UHFFFAOYSA-N 1 0 153.269 2.320 50 0 AEAARO C1CCCC2(CC1)CCC[NH2+]2 83268482 166090396 /nfs/dbraw/zinc/09/03/96/166090396.db2.gz IQTFEQLZLXDWTI-UHFFFAOYSA-N 1 0 153.269 2.463 50 0 in-vitro AEAARO C1CCCC([NH2+]C2CC2)CC1 22144776 166090421 /nfs/dbraw/zinc/09/04/21/166090421.db2.gz RGRGJFYXZILMRB-UHFFFAOYSA-N 1 0 153.269 2.461 50 0 AEAARO C1CC[NH+](C2CCCC2)CC1 5133801 166091034 /nfs/dbraw/zinc/09/10/34/166091034.db2.gz WYANFTXHKVXPFJ-UHFFFAOYSA-N 1 0 153.269 2.415 50 0 AEAARO C1CC[NH2+][C@@H](CN2CCCCC2)CC1 39706223 166091100 /nfs/dbraw/zinc/09/11/00/166091100.db2.gz DHZOWGHJJJZOSM-GFCCVEGCSA-N 1 0 196.338 2.005 50 0 in-vitro AEAARO C1CC[NH2+][C@H](CN2CCCCC2)CC1 39706224 166091351 /nfs/dbraw/zinc/09/13/51/166091351.db2.gz DHZOWGHJJJZOSM-LBPRGKRZSA-N 1 0 196.338 2.005 50 0 in-vitro AEAARO C1CC[NH2+][C@H](C2CCC2)CC1 3735116 166091545 /nfs/dbraw/zinc/09/15/45/166091545.db2.gz ZNUXEIASMYYRQO-JTQLQIEISA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CC[NH2+][C@@H](C2CCC2)CC1 3735117 166091647 /nfs/dbraw/zinc/09/16/47/166091647.db2.gz ZNUXEIASMYYRQO-SNVBAGLBSA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CC[C@@H](CCOCC2CCC2)[NH2+]C1 42774297 166092433 /nfs/dbraw/zinc/09/24/33/166092433.db2.gz DGXRORPJISWSGC-LBPRGKRZSA-N 1 0 197.322 2.335 50 0 in-vitro AEAARO C1CCN(CC[NH2+]C2CCCC2)CC1 97150299 166092628 /nfs/dbraw/zinc/09/26/28/166092628.db2.gz BPHNPXBUMZUJLG-UHFFFAOYSA-N 1 0 196.338 2.005 50 0 AEAARO C1CC[C@@H](C2CCCC2)[NH2+]C1 2582627 166092806 /nfs/dbraw/zinc/09/28/06/166092806.db2.gz IXTALOBLEDXRNT-JTQLQIEISA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CC[C@H](C2CCCC2)[NH2+]C1 3734605 166093050 /nfs/dbraw/zinc/09/30/50/166093050.db2.gz IXTALOBLEDXRNT-SNVBAGLBSA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO C1CC[C@H](CCOCC2CCC2)[NH2+]C1 42774301 166093067 /nfs/dbraw/zinc/09/30/67/166093067.db2.gz DGXRORPJISWSGC-GFCCVEGCSA-N 1 0 197.322 2.335 50 0 in-vitro AEAARO C1CC[C@H]2CCC[NH+]=C2C1 39249861 166093607 /nfs/dbraw/zinc/09/36/07/166093607.db2.gz CHNGBZJSFRNNKJ-QMMMGPOBSA-N 1 0 137.226 2.411 50 0 AEAARO C1CC[C@@H]2C[NH2+]CC[C@H]2CC1 21376717 166094019 /nfs/dbraw/zinc/09/40/19/166094019.db2.gz VDDWAXBJERNDGR-NXEZZACHSA-N 1 0 153.269 2.176 50 0 AEAARO C1CC[C@H]2CC[NH2+]C[C@H]2CC1 21376721 166094021 /nfs/dbraw/zinc/09/40/21/166094021.db2.gz VDDWAXBJERNDGR-VHSXEESVSA-N 1 0 153.269 2.176 50 0 AEAARO C1CC[C@@H]2CCC[C@H](C1)[NH2+]2 12343545 166094108 /nfs/dbraw/zinc/09/41/08/166094108.db2.gz QWDHUFQYOCRGFQ-DTORHVGOSA-N 1 0 139.242 2.071 50 0 AEAARO C1CC[C@H]2CC[NH2+]C[C@@H]2CC1 21376713 166094273 /nfs/dbraw/zinc/09/42/73/166094273.db2.gz VDDWAXBJERNDGR-UWVGGRQHSA-N 1 0 153.269 2.176 50 0 AEAARO C1CC[C@@H]2CCC[NH+]=C2C1 96545071 166094973 /nfs/dbraw/zinc/09/49/73/166094973.db2.gz CHNGBZJSFRNNKJ-MRVPVSSYSA-N 1 0 137.226 2.411 50 0 AEAARO C1CC[C@@H]2CC[NH2+]C[C@@H]2CC1 21376709 166095009 /nfs/dbraw/zinc/09/50/09/166095009.db2.gz VDDWAXBJERNDGR-ZJUUUORDSA-N 1 0 153.269 2.176 50 0 AEAARO C1CC(COCC[C@H]2CCC[NH2+]C2)C1 42774293 166082585 /nfs/dbraw/zinc/08/25/85/166082585.db2.gz IIVMJGLCKVKIMY-LLVKDONJSA-N 1 0 197.322 2.193 50 0 AEAARO C1=Nc2ccccc2C12CC[NH2+]CC2 42689563 166082646 /nfs/dbraw/zinc/08/26/46/166082646.db2.gz HYZDJHJGTFYYCK-UHFFFAOYSA-N 1 0 186.258 2.024 50 0 in-vitro AEAARO C=C[Si](C)(C)[NH2+][Si](C)(C)C=C 169746920 166222069 /nfs/dbraw/zinc/22/20/69/166222069.db2.gz WYUIWUCVZCRTRH-UHFFFAOYSA-N 1 0 185.419 2.437 50 0 AEAARO C=Cc1ccc(C[NH+](C)C)cc1 2555296 166223016 /nfs/dbraw/zinc/22/30/16/166223016.db2.gz XQBHAZDVLGNSOJ-UHFFFAOYSA-N 1 0 161.248 2.391 50 0 AEAARO CC(=[NH2+])CC(=O)c1ccccc1 3165011 166229835 /nfs/dbraw/zinc/22/98/35/166229835.db2.gz OLWROYKZQAIZRX-UHFFFAOYSA-N 1 0 161.204 2.299 50 0 AEAARO CC(=N)C[n+]1ccc2ccccc2c1 406408 166230613 /nfs/dbraw/zinc/23/06/13/166230613.db2.gz CLBKTDZMHIMPAH-UHFFFAOYSA-N 1 0 185.250 2.167 50 0 AEAARO CC(=O)CC[N@@H+](C)Cc1ccccc1 47979798 166242578 /nfs/dbraw/zinc/24/25/78/166242578.db2.gz QXXVHCSAINGHIK-UHFFFAOYSA-N 1 0 191.274 2.098 50 0 in-vitro AEAARO CC(=O)c1ccc(CC(C)(C)[NH3+])cc1 95918173 166324426 /nfs/dbraw/zinc/32/44/26/166324426.db2.gz VQQLTYNHQFBQRL-UHFFFAOYSA-N 1 0 191.274 2.169 50 0 AEAARO CC(C)(C)C(C)(C)C[NH3+] 1648361 166344428 /nfs/dbraw/zinc/34/44/28/166344428.db2.gz MIWGNHMXTAYEQN-UHFFFAOYSA-N 1 0 129.247 2.017 50 0 in-vitro AEAARO CC(C)(C)CC(C)(C)[NH3+] 1687197 166347470 /nfs/dbraw/zinc/34/74/70/166347470.db2.gz QIJIUJYANDSEKG-UHFFFAOYSA-N 1 0 129.247 2.160 50 0 AEAARO CC(C)(C)CC(C)(C)[NH+]1CCNCC1 43435707 166347618 /nfs/dbraw/zinc/34/76/18/166347618.db2.gz IXKCMXYRCGRHBG-UHFFFAOYSA-N 1 0 198.354 2.106 50 0 AEAARO CC(C)(C)C([NH3+])C(C)(C)C 39411552 166347791 /nfs/dbraw/zinc/34/77/91/166347791.db2.gz UNDBGOPBBPZAKN-UHFFFAOYSA-N 1 0 143.274 2.406 50 0 AEAARO CC(C)(C)C1CC[NH2+]CC1 1585537 166348940 /nfs/dbraw/zinc/34/89/40/166348940.db2.gz HAKKTZOUPCDMCN-UHFFFAOYSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)(C)CC[C@H]1CC[NH2+]C1 82844842 166351385 /nfs/dbraw/zinc/35/13/85/166351385.db2.gz YJSDWAOTDLOQOX-VIFPVBQESA-N 1 0 155.285 2.422 50 0 AEAARO CC(C)(C)CC[C@@H]1CC[NH2+]C1 82844841 166352070 /nfs/dbraw/zinc/35/20/70/166352070.db2.gz YJSDWAOTDLOQOX-SECBINFHSA-N 1 0 155.285 2.422 50 0 AEAARO CC(C)(C)CCCC[NH3+] 32154901 166352457 /nfs/dbraw/zinc/35/24/57/166352457.db2.gz GAHCNYHAKKGGHF-UHFFFAOYSA-N 1 0 129.247 2.162 50 0 in-vitro AEAARO CC(C)(C)COC[C@@H]1CCC[NH2+]C1 14628626 166353855 /nfs/dbraw/zinc/35/38/55/166353855.db2.gz BBZWJKVBQAJXGN-SNVBAGLBSA-N 1 0 185.311 2.049 50 0 in-vitro AEAARO CC(C)(C)C[NH2+]Cc1ccco1 26511104 166354371 /nfs/dbraw/zinc/35/43/71/166354371.db2.gz DMOBFJDABFTADF-UHFFFAOYSA-N 1 0 167.252 2.415 50 0 AEAARO CC(C)(C)COC[C@H]1CCC[NH2+]C1 14628628 166354758 /nfs/dbraw/zinc/35/47/58/166354758.db2.gz BBZWJKVBQAJXGN-JTQLQIEISA-N 1 0 185.311 2.049 50 0 in-vitro AEAARO CC(C)(C)COCC1CC[NH2+]CC1 14628630 166354973 /nfs/dbraw/zinc/35/49/73/166354973.db2.gz FKWXWZAOHSSTLU-UHFFFAOYSA-N 1 0 185.311 2.049 50 0 AEAARO CC(C)(C)C[NH2+]C(C)(C)C 1698117 166355090 /nfs/dbraw/zinc/35/50/90/166355090.db2.gz JPTZOFZNRFPMPG-UHFFFAOYSA-N 1 0 143.274 2.421 50 0 AEAARO CC(C)(C)C[C@@H]1CCC[NH2+]1 3732274 166356332 /nfs/dbraw/zinc/35/63/32/166356332.db2.gz BNQWNEMIHJZPIZ-QMMMGPOBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC(C)(C)C[C@@H]1CC[NH2+]C1 61840730 166356822 /nfs/dbraw/zinc/35/68/22/166356822.db2.gz ZHUYJHNSJFIDLL-QMMMGPOBSA-N 1 0 141.258 2.032 50 0 AEAARO CC(C)(C)C[C@H]1CCC[NH2+]1 3732273 166356843 /nfs/dbraw/zinc/35/68/43/166356843.db2.gz BNQWNEMIHJZPIZ-MRVPVSSYSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC(C)(C)C[C@H]1CC[NH2+]C1 61840731 166357156 /nfs/dbraw/zinc/35/71/56/166357156.db2.gz ZHUYJHNSJFIDLL-MRVPVSSYSA-N 1 0 141.258 2.032 50 0 AEAARO CC(C)(C)N1CC[NH+](C(C)(C)C)CC1 22593303 166358454 /nfs/dbraw/zinc/35/84/54/166358454.db2.gz SLRQZQPUXWCTDN-UHFFFAOYSA-N 1 0 198.354 2.201 50 0 AEAARO CC(C)(C)[NH2+]C[Si](C)(C)C 169952031 166364790 /nfs/dbraw/zinc/36/47/90/166364790.db2.gz DHZPTXMPOAJTNM-UHFFFAOYSA-N 1 0 159.349 2.252 50 0 AEAARO CC(C)(C)[NH2+]Cc1ccco1 6882609 166364827 /nfs/dbraw/zinc/36/48/27/166364827.db2.gz IJNBNJINCKLJFU-UHFFFAOYSA-N 1 0 153.225 2.168 50 0 AEAARO CC(C)(C)[NH2+][Si](C)(C)C 170154553 166364891 /nfs/dbraw/zinc/36/48/91/166364891.db2.gz GVHIREZHTRULPT-UHFFFAOYSA-N 1 0 145.322 2.209 50 0 AEAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1 5019429 166365319 /nfs/dbraw/zinc/36/53/19/166365319.db2.gz NRVOOKOHYKJCPB-LLVKDONJSA-N 1 0 193.290 2.108 50 0 AEAARO CC(C)(C)[NH2+]CCc1ccncc1 32919821 166366077 /nfs/dbraw/zinc/36/60/77/166366077.db2.gz YWEPWFZHVOZDQS-UHFFFAOYSA-N 1 0 178.279 2.012 50 0 AEAARO CC(C)(C)[NH2+]C[C@H](O)c1ccccc1 5019424 166366139 /nfs/dbraw/zinc/36/61/39/166366139.db2.gz NRVOOKOHYKJCPB-NSHDSACASA-N 1 0 193.290 2.108 50 0 AEAARO CC(C)(C)[NH2+]CCOc1ccccc1 37856717 166366464 /nfs/dbraw/zinc/36/64/64/166366464.db2.gz IJVHFVOLBAJKKY-UHFFFAOYSA-N 1 0 193.290 2.454 50 0 AEAARO CC(C)(C)[NH2+]Cc1ccc(O)cc1 22143674 166366983 /nfs/dbraw/zinc/36/69/83/166366983.db2.gz XUJOHYQYXDSEFE-UHFFFAOYSA-N 1 0 179.263 2.280 50 0 in-vitro AEAARO CC(C)(C)Nc1cc[nH+]cc1 82712683 166367251 /nfs/dbraw/zinc/36/72/51/166367251.db2.gz AJAXVUZVKSSAAU-UHFFFAOYSA-N 1 0 150.225 2.292 50 0 AEAARO CC(C)(C)Oc1cccc(C[NH3+])c1 33421614 166372363 /nfs/dbraw/zinc/37/23/63/166372363.db2.gz PMLDLEBDIHRGLC-UHFFFAOYSA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC(C)(C)O[C@@H]1CCC[C@H]([NH3+])C1 66348045 166372511 /nfs/dbraw/zinc/37/25/11/166372511.db2.gz QACQAAPXDRKMNZ-DTWKUNHWSA-N 1 0 171.284 2.071 50 0 AEAARO CC(C)(C)O[C@H]1CCC[C@H]([NH3+])C1 66348049 166372552 /nfs/dbraw/zinc/37/25/52/166372552.db2.gz QACQAAPXDRKMNZ-IUCAKERBSA-N 1 0 171.284 2.071 50 0 AEAARO CC(C)(C)OC1CCC([NH3+])CC1 14806876 166372885 /nfs/dbraw/zinc/37/28/85/166372885.db2.gz IJCTXLVZPMAIJS-UHFFFAOYSA-N 1 0 171.284 2.071 50 0 in-vitro AEAARO CC(C)(C)O[C@H]1CCC[C@@H]([NH3+])C1 66348055 166372982 /nfs/dbraw/zinc/37/29/82/166372982.db2.gz QACQAAPXDRKMNZ-BDAKNGLRSA-N 1 0 171.284 2.071 50 0 AEAARO CC(C)(C)Oc1cccc(CC[NH3+])c1 33424921 166373638 /nfs/dbraw/zinc/37/36/38/166373638.db2.gz ILMSOOJTIOITBK-UHFFFAOYSA-N 1 0 193.290 2.365 50 0 AEAARO CC(C)(C)Oc1ccc(CC[NH3+])cc1 33424964 166373641 /nfs/dbraw/zinc/37/36/41/166373641.db2.gz GPKNHRSSJDAUGA-UHFFFAOYSA-N 1 0 193.290 2.365 50 0 AEAARO CC(C)(C)Oc1ccc(C[NH3+])cc1 20506837 166373828 /nfs/dbraw/zinc/37/38/28/166373828.db2.gz HOKKUMFXFSCQHJ-UHFFFAOYSA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC(C)(C)O[C@@H]1CCC[C@@H]([NH3+])C1 66348052 166374160 /nfs/dbraw/zinc/37/41/60/166374160.db2.gz QACQAAPXDRKMNZ-RKDXNWHRSA-N 1 0 171.284 2.071 50 0 AEAARO CC(C)(C)OCc1cccc(C[NH3+])c1 20508632 166374181 /nfs/dbraw/zinc/37/41/81/166374181.db2.gz IAYSBEGIEJQAPN-UHFFFAOYSA-N 1 0 193.290 2.460 50 0 in-vitro AEAARO CC(C)(C)Oc1ccccc1C[NH3+] 20506836 166374916 /nfs/dbraw/zinc/37/49/16/166374916.db2.gz IIDFZEBQIQFAQR-UHFFFAOYSA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC(C)(C)Oc1ccccc1CC[NH3+] 33424868 166375031 /nfs/dbraw/zinc/37/50/31/166375031.db2.gz YMAZREHWLSEESP-UHFFFAOYSA-N 1 0 193.290 2.365 50 0 AEAARO CC(C)(C)[C@@H]1CCC[C@H]1[NH3+] 60714273 166376274 /nfs/dbraw/zinc/37/62/74/166376274.db2.gz DMYNCEDNFZBVEH-HTQZYQBOSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)(C)[C@@H]([NH3+])c1ccncc1 52231884 166376646 /nfs/dbraw/zinc/37/66/46/166376646.db2.gz SMLWNQXWIRGFQW-VIFPVBQESA-N 1 0 164.252 2.128 50 0 AEAARO CC(C)(C)[C@@H]1CCC[NH2+]C1 79881394 166376651 /nfs/dbraw/zinc/37/66/51/166376651.db2.gz VQMAMHGIVQPZIY-MRVPVSSYSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)(C)[C@@H]1CCCC[NH2+]1 2582613 166376831 /nfs/dbraw/zinc/37/68/31/166376831.db2.gz XVHXKRXHTZYTDU-QMMMGPOBSA-N 1 0 141.258 2.175 50 0 AEAARO CC(C)(C)[C@@H]1CCC[NH2+]CC1 35359196 166377576 /nfs/dbraw/zinc/37/75/76/166377576.db2.gz LAHPNGGYIWAYMX-SECBINFHSA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO CC(C)(C)[C@@H]1CCC[C@@H]1[NH3+] 60714266 166377601 /nfs/dbraw/zinc/37/76/01/166377601.db2.gz DMYNCEDNFZBVEH-SFYZADRCSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)(C)[C@H]([NH3+])c1ccco1 43607036 166378170 /nfs/dbraw/zinc/37/81/70/166378170.db2.gz NWBISWZGDOEFBC-MRVPVSSYSA-N 1 0 153.225 2.326 50 0 in-vitro AEAARO CC(C)(C)[C@H]([NH3+])CC(F)(F)F 17403320 166378666 /nfs/dbraw/zinc/37/86/66/166378666.db2.gz RFKMORYSKRWMRW-RXMQYKEDSA-N 1 0 169.190 2.312 50 0 in-vitro AEAARO CC(C)(C)[C@H]([NH3+])c1ccncc1 52231882 166378909 /nfs/dbraw/zinc/37/89/09/166378909.db2.gz SMLWNQXWIRGFQW-SECBINFHSA-N 1 0 164.252 2.128 50 0 AEAARO CC(C)(C)[C@H]1CCCC[NH2+]1 3734426 166380179 /nfs/dbraw/zinc/38/01/79/166380179.db2.gz XVHXKRXHTZYTDU-MRVPVSSYSA-N 1 0 141.258 2.175 50 0 AEAARO CC(C)(C)[C@H]1CCC[C@H]1[NH3+] 60714275 166380329 /nfs/dbraw/zinc/38/03/29/166380329.db2.gz DMYNCEDNFZBVEH-JGVFFNPUSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)(C)[C@H]1CCC[C@@H]1[NH3+] 60714268 166380490 /nfs/dbraw/zinc/38/04/90/166380490.db2.gz DMYNCEDNFZBVEH-YUMQZZPRSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)(C)[Si](C)(C)CC[NH3+] 169794899 166381265 /nfs/dbraw/zinc/38/12/65/166381265.db2.gz HDGPVDMZVOWTTI-UHFFFAOYSA-N 1 0 159.349 2.454 50 0 AEAARO CC(C)(C)[C@H]1CCC[NH2+]C1 79881399 166381710 /nfs/dbraw/zinc/38/17/10/166381710.db2.gz VQMAMHGIVQPZIY-QMMMGPOBSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)(C)[N+](=O)C=C1C=CN(O)C=C1 5354935 166382074 /nfs/dbraw/zinc/38/20/74/166382074.db2.gz VYMSUOFPCLVRDI-UHFFFAOYSA-N 1 0 195.242 2.180 50 0 in-vitro AEAARO CC(C)(C)[C@H]1CCC[NH2+]CC1 35359197 166382161 /nfs/dbraw/zinc/38/21/61/166382161.db2.gz LAHPNGGYIWAYMX-VIFPVBQESA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO CC(C)(C)c1cc(C[NH3+])co1 49581127 166382775 /nfs/dbraw/zinc/38/27/75/166382775.db2.gz WMURNAVQLKVHGG-UHFFFAOYSA-N 1 0 153.225 2.036 50 0 in-vitro AEAARO CC(C)(C)c1ccc(NC(N)=[NH2+])cc1 13858908 166383275 /nfs/dbraw/zinc/38/32/75/166383275.db2.gz DSOKWLKBYFUNEO-UHFFFAOYSA-N 1 0 191.278 2.289 50 0 AEAARO CC(C)(C)c1ccc(CC[NH3+])cc1 2572160 166383370 /nfs/dbraw/zinc/38/33/70/166383370.db2.gz WKCZSFRAGKIIKN-UHFFFAOYSA-N 1 0 177.291 2.485 50 0 in-vitro AEAARO CC(C)(C)c1ccc(OCC[NH3+])cc1 3440692 166383797 /nfs/dbraw/zinc/38/37/97/166383797.db2.gz PMADTOCMHRNTRG-UHFFFAOYSA-N 1 0 193.290 2.322 50 0 in-vitro AEAARO CC(C)(C)c1ccc(C[NH3+])cc1 2389991 166384138 /nfs/dbraw/zinc/38/41/38/166384138.db2.gz MPWSRGAWRAYBJK-UHFFFAOYSA-N 1 0 163.264 2.443 50 0 in-vitro AEAARO CC(C)(C)c1ccc(C(N)=[NH2+])cc1 1437949 166384604 /nfs/dbraw/zinc/38/46/04/166384604.db2.gz NFNSHLXROFMSCN-UHFFFAOYSA-N 1 0 176.263 2.268 50 0 in-vitro AEAARO CC(C)(C)c1cccc(OCC[NH3+])c1 37428785 166385905 /nfs/dbraw/zinc/38/59/05/166385905.db2.gz GFYXXMRZPCISNL-UHFFFAOYSA-N 1 0 193.290 2.322 50 0 in-vitro AEAARO CC(C)(C)c1ccccc1OCC[NH3+] 4227448 166386445 /nfs/dbraw/zinc/38/64/45/166386445.db2.gz HALAKHDLWOOTPW-UHFFFAOYSA-N 1 0 193.290 2.322 50 0 in-vitro AEAARO CC(C)(C)c1cccc(CC[NH3+])c1 44372737 166387307 /nfs/dbraw/zinc/38/73/07/166387307.db2.gz XLZCRVKMGMIMER-UHFFFAOYSA-N 1 0 177.291 2.485 50 0 in-vitro AEAARO CC(C)(C)c1cccc(C[NH3+])c1 7023205 166387374 /nfs/dbraw/zinc/38/73/74/166387374.db2.gz JPETYCDJGPTICO-UHFFFAOYSA-N 1 0 163.264 2.443 50 0 in-vitro AEAARO CC(C)(C)c1[nH]c2ccc(N)cc2[nH+]1 2650260 166389000 /nfs/dbraw/zinc/38/90/00/166389000.db2.gz SLZVZHKZDFTTJL-UHFFFAOYSA-N 1 0 189.262 2.443 50 0 in-vitro AEAARO CC(C)(C)n1c(N)[nH+]c2ccccc21 20586128 166389875 /nfs/dbraw/zinc/38/98/75/166389875.db2.gz HDEFXNYIQDDCSW-UHFFFAOYSA-N 1 0 189.262 2.374 50 0 in-vitro AEAARO CC(C)(C)n1cc[n+](C(C)(C)C)c1 2513721 166391170 /nfs/dbraw/zinc/39/11/70/166391170.db2.gz MXBZSBSKUMTJDH-UHFFFAOYSA-N 1 0 181.303 2.286 50 0 in-vitro AEAARO CC(C)(C[NH3+])Cc1ccccc1F 49804187 166393512 /nfs/dbraw/zinc/39/35/12/166393512.db2.gz DZTKODOCXMQLSH-UHFFFAOYSA-N 1 0 181.254 2.353 50 0 AEAARO CC(C)(C[NH3+])C1CCCC1 83255078 166393614 /nfs/dbraw/zinc/39/36/14/166393614.db2.gz HCLNKNRCOIAGNP-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CC(C)(CC[NH3+])c1ccccc1 20216518 166393673 /nfs/dbraw/zinc/39/36/73/166393673.db2.gz QNJUGTYCIJYNTH-UHFFFAOYSA-N 1 0 163.264 2.313 50 0 in-vitro AEAARO CC(C)(C[NH3+])Cc1cccc(F)c1 49804195 166394088 /nfs/dbraw/zinc/39/40/88/166394088.db2.gz RQQFJQQYIIKUOL-UHFFFAOYSA-N 1 0 181.254 2.353 50 0 AEAARO CC(C)(C[NH3+])Cc1ccc(F)cc1 49804181 166394110 /nfs/dbraw/zinc/39/41/10/166394110.db2.gz MNEGUBWUPKEHNW-UHFFFAOYSA-N 1 0 181.254 2.353 50 0 AEAARO CC(C)(C[NH3+])CC1CCC1 98214103 166394475 /nfs/dbraw/zinc/39/44/75/166394475.db2.gz ITIMXMRRSJOWAE-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 AEAARO CC(C)(C[NH3+])Oc1ccc(Cl)cc1 20398584 166395309 /nfs/dbraw/zinc/39/53/09/166395309.db2.gz VGROYBHHIYOVMO-UHFFFAOYSA-N 1 0 199.681 2.456 50 0 AEAARO CC(C)(C[NH3+])C1=CCCCC1 95883695 166395358 /nfs/dbraw/zinc/39/53/58/166395358.db2.gz RZJMYHBPPLVNJK-UHFFFAOYSA-N 1 0 153.269 2.472 50 0 in-vitro AEAARO CC(C)(C[NH3+])Cc1ccccc1 34129774 166395383 /nfs/dbraw/zinc/39/53/83/166395383.db2.gz HINKSSFMJHIJOU-UHFFFAOYSA-N 1 0 163.264 2.214 50 0 in-vitro AEAARO CC(C)(C[NH3+])c1c[nH]c2ccccc12 2018765 166395707 /nfs/dbraw/zinc/39/57/07/166395707.db2.gz BRRFYKZLWPFRQZ-UHFFFAOYSA-N 1 0 188.274 2.404 50 0 in-vitro AEAARO CC(C)(C[NH3+])c1ccc(F)cc1 11885432 166395725 /nfs/dbraw/zinc/39/57/25/166395725.db2.gz DHGRRSSFDBJARB-UHFFFAOYSA-N 1 0 167.227 2.062 50 0 in-vitro AEAARO CC(C)(C[NH3+])c1cccc(F)c1 14000271 166396425 /nfs/dbraw/zinc/39/64/25/166396425.db2.gz UOESZEQYGLLTRN-UHFFFAOYSA-N 1 0 167.227 2.062 50 0 in-vitro AEAARO CC(C)(C[NH3+])c1c(F)cccc1F 40447855 166397220 /nfs/dbraw/zinc/39/72/20/166397220.db2.gz UEPVZYAFHJMXBL-UHFFFAOYSA-N 1 0 185.217 2.201 50 0 AEAARO CC(C)(C[NH3+])c1ccccc1F 11885873 166397795 /nfs/dbraw/zinc/39/77/95/166397795.db2.gz XGXQOJHWWXEECA-UHFFFAOYSA-N 1 0 167.227 2.062 50 0 AEAARO CC(C)([NH3+])C1CCCCC1 19682458 166398526 /nfs/dbraw/zinc/39/85/26/166398526.db2.gz LBAHQPMPKGDCDV-UHFFFAOYSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CC(C)([NH3+])C(=O)c1ccccc1Cl 71507607 166399359 /nfs/dbraw/zinc/39/93/59/166399359.db2.gz OHDUCFDDNJNTKB-UHFFFAOYSA-N 1 0 197.665 2.260 50 0 AEAARO CC(C)([NH3+])CC1CCCC1 53758010 166399801 /nfs/dbraw/zinc/39/98/01/166399801.db2.gz COVILCVAOXSLGY-UHFFFAOYSA-N 1 0 141.258 2.304 50 0 AEAARO CC(C)([NH3+])Cc1cccc(F)c1 37246945 166401254 /nfs/dbraw/zinc/40/12/54/166401254.db2.gz HOQBALSHMJWEFX-UHFFFAOYSA-N 1 0 167.227 2.106 50 0 AEAARO CC(C)([NH3+])Cc1ccc(F)cc1 156299 166401468 /nfs/dbraw/zinc/40/14/68/166401468.db2.gz JITFIYFVPMQJOK-UHFFFAOYSA-N 1 0 167.227 2.106 50 0 in-vitro AEAARO CC(C)([NH3+])c1ccccc1F 11886187 166404075 /nfs/dbraw/zinc/40/40/75/166404075.db2.gz KAQOIUQXYMVFJE-UHFFFAOYSA-N 1 0 153.200 2.020 50 0 in-vitro AEAARO CC(C)([NH3+])c1ccc(F)c(F)c1 36156242 166404117 /nfs/dbraw/zinc/40/41/17/166404117.db2.gz BKEJWQVDJHFFAD-UHFFFAOYSA-N 1 0 171.190 2.159 50 0 in-vitro AEAARO CC(C)=CCC[C@@H](C)[NH3+] 2015557 166414760 /nfs/dbraw/zinc/41/47/60/166414760.db2.gz LINQVIAARQIDQJ-MRVPVSSYSA-N 1 0 127.231 2.080 50 0 in-vitro AEAARO CC(C)=CCC[C@H](C)[NH3+] 2015556 166415069 /nfs/dbraw/zinc/41/50/69/166415069.db2.gz LINQVIAARQIDQJ-QMMMGPOBSA-N 1 0 127.231 2.080 50 0 in-vitro AEAARO CC(C)=C[C@H]1[C@H](C[NH3+])C1(C)C 4645054 166420107 /nfs/dbraw/zinc/42/01/07/166420107.db2.gz OTWNOSIGSIPAHN-IUCAKERBSA-N 1 0 153.269 2.184 50 0 AEAARO CC(C)C1(C)CC[NH2+]CC1 62951094 166430881 /nfs/dbraw/zinc/43/08/81/166430881.db2.gz VWQXZMNSXCIKCM-UHFFFAOYSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)C1CCC(C[NH3+])CC1 39103303 166432034 /nfs/dbraw/zinc/43/20/34/166432034.db2.gz MYJPNHCIJWKLPL-UHFFFAOYSA-N 1 0 155.285 2.408 50 0 in-vitro AEAARO CC(C)CC1(C)CC[NH2+]CC1 62951013 166435424 /nfs/dbraw/zinc/43/54/24/166435424.db2.gz QSOXOPSZVWZXTR-UHFFFAOYSA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO CC(C)CC1(C[NH3+])CCC1 19091837 166435909 /nfs/dbraw/zinc/43/59/09/166435909.db2.gz ZHRQQVCBZULLAE-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CC(C)CCC1CC[NH2+]CC1 38846376 166438593 /nfs/dbraw/zinc/43/85/93/166438593.db2.gz NUPYROXDZMEMNQ-UHFFFAOYSA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO CC(C)CCOC[C@@H]1CCC[NH2+]C1 14631085 166446956 /nfs/dbraw/zinc/44/69/56/166446956.db2.gz QCXNMIQIRYFYMJ-LLVKDONJSA-N 1 0 185.311 2.049 50 0 AEAARO CC(C)CCOCCC1CC[NH2+]CC1 34972578 166446972 /nfs/dbraw/zinc/44/69/72/166446972.db2.gz NWBMAMGDFPPKAL-UHFFFAOYSA-N 1 0 199.338 2.439 50 0 AEAARO CC(C)CCOCC[C@@H]1CCC[NH2+]C1 42771708 166447929 /nfs/dbraw/zinc/44/79/29/166447929.db2.gz FURAEKKJNVYFPH-LBPRGKRZSA-N 1 0 199.338 2.439 50 0 AEAARO CC(C)CCOCC1CC[NH2+]CC1 14631387 166448501 /nfs/dbraw/zinc/44/85/01/166448501.db2.gz MJPNEJZVGNYJSA-UHFFFAOYSA-N 1 0 185.311 2.049 50 0 in-vitro AEAARO CC(C)C[NH+]1CCC(C)CC1 15442181 166459483 /nfs/dbraw/zinc/45/94/83/166459483.db2.gz LXUPXMWINMNCGJ-UHFFFAOYSA-N 1 0 155.285 2.374 50 0 AEAARO CC(C)C[NH2+]C(C)(C)C 19093051 166468996 /nfs/dbraw/zinc/46/89/96/166468996.db2.gz KVYFSZGMVJSHDS-UHFFFAOYSA-N 1 0 129.247 2.031 50 0 in-vitro AEAARO CC(C)C[NH2+]CC(C)(C)C 37927239 166470688 /nfs/dbraw/zinc/47/06/88/166470688.db2.gz QSJJIBZBFOFKES-UHFFFAOYSA-N 1 0 143.274 2.278 50 0 in-vitro AEAARO CC(C)C[NH2+]C[C@H]1CCOC(C)(C)C1 4073243 166470713 /nfs/dbraw/zinc/47/07/13/166470713.db2.gz PDIAUMAGVLKNQE-NSHDSACASA-N 1 0 199.338 2.437 50 0 biogenic AEAARO CC(C)C[NH2+]Cc1cccs1 5817305 166470924 /nfs/dbraw/zinc/47/09/24/166470924.db2.gz YRXXZEKTOKFSKA-UHFFFAOYSA-N 1 0 169.293 2.494 50 0 AEAARO CC(C)C[NH2+]Cc1ccco1 6883668 166471092 /nfs/dbraw/zinc/47/10/92/166471092.db2.gz ZKSHFBNCIZSCPU-UHFFFAOYSA-N 1 0 153.225 2.025 50 0 in-vitro AEAARO CC(C)C[NH2+]Cc1ccccc1 5284558 166472052 /nfs/dbraw/zinc/47/20/52/166472052.db2.gz ZELJLECFTLYULH-UHFFFAOYSA-N 1 0 163.264 2.432 50 0 in-vitro AEAARO CC(C)CSCC1CC[NH2+]CC1 43498173 166481616 /nfs/dbraw/zinc/48/16/16/166481616.db2.gz SHDNHIYWPZPXMZ-UHFFFAOYSA-N 1 0 187.352 2.375 50 0 AEAARO CC(C)C[C@@H](CO)[NH2+]C1CCCCC1 38111382 166483305 /nfs/dbraw/zinc/48/33/05/166483305.db2.gz RULJEWDYVXBWDS-LBPRGKRZSA-N 1 0 199.338 2.316 50 0 AEAARO CC(C)C[C@@H]1CCCC[NH2+]1 3734428 166486364 /nfs/dbraw/zinc/48/63/64/166486364.db2.gz BGMFNTCQUCUODA-VIFPVBQESA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC(C)C[C@@H]([NH3+])c1ccccn1 37466283 166486751 /nfs/dbraw/zinc/48/67/51/166486751.db2.gz CQQSJHCEEUYAOK-SECBINFHSA-N 1 0 164.252 2.128 50 0 in-vitro AEAARO CC(C)C[C@@H]1CCC[NH2+]C1 14593154 166489692 /nfs/dbraw/zinc/48/96/92/166489692.db2.gz YUDLRLBJRSTYDN-VIFPVBQESA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)C[C@H]1CCC[NH2+]C1 14593155 166496901 /nfs/dbraw/zinc/49/69/01/166496901.db2.gz YUDLRLBJRSTYDN-SECBINFHSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)C[C@]1(C)CCC[NH2+]1 85697810 166499249 /nfs/dbraw/zinc/49/92/49/166499249.db2.gz FTGFJWBVQUWQHC-VIFPVBQESA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC(C)Cc1ccc(CC[NH3+])cc1 19780115 166501899 /nfs/dbraw/zinc/50/18/99/166501899.db2.gz QQNHRVKUNBTYKN-UHFFFAOYSA-N 1 0 177.291 2.386 50 0 AEAARO CC(C)[NH2+]C1Cc2ccccc2C1 27848192 166537781 /nfs/dbraw/zinc/53/77/81/166537781.db2.gz RPGLUMRDPMBBBQ-UHFFFAOYSA-N 1 0 175.275 2.152 50 0 AEAARO CC(C)[NH2+]CCOc1ccccc1 19091293 166539458 /nfs/dbraw/zinc/53/94/58/166539458.db2.gz WVFGRNGNOVCUFS-UHFFFAOYSA-N 1 0 179.263 2.063 50 0 in-vitro AEAARO CC(C)[NH2+]CCc1cccs1 19949058 166539668 /nfs/dbraw/zinc/53/96/68/166539668.db2.gz JGNCUVDNNILNLX-UHFFFAOYSA-N 1 0 169.293 2.289 50 0 AEAARO CC(C)[NH2+]CCc1ccccc1 10436473 166540642 /nfs/dbraw/zinc/54/06/42/166540642.db2.gz HNPAEWJKFXEUDW-UHFFFAOYSA-N 1 0 163.264 2.227 50 0 in-vitro AEAARO CC(C)[NH2+]Cc1ccccc1 1690128 166541939 /nfs/dbraw/zinc/54/19/39/166541939.db2.gz LYBKPDDZTNUNNM-UHFFFAOYSA-N 1 0 149.237 2.185 50 0 AEAARO CC(C)[NH2+]Cc1cccc(F)c1 5962955 166542289 /nfs/dbraw/zinc/54/22/89/166542289.db2.gz LULJUYVORLDSFI-UHFFFAOYSA-N 1 0 167.227 2.324 50 0 AEAARO CC(C)[NH2+][C@@H](CCO)C1CCCCC1 68592569 166546268 /nfs/dbraw/zinc/54/62/68/166546268.db2.gz RLLUQVBMROUNOS-LBPRGKRZSA-N 1 0 199.338 2.316 50 0 in-vitro AEAARO CC(C)Oc1ccccc1[C@@H](C)[NH3+] 22176056 166563781 /nfs/dbraw/zinc/56/37/81/166563781.db2.gz OFGMBEPFKXAJKV-SECBINFHSA-N 1 0 179.263 2.494 50 0 in-vitro AEAARO CC(C)SC[C@H]1CCCC[NH2+]1 43495433 166565631 /nfs/dbraw/zinc/56/56/31/166565631.db2.gz QQFIWJXCRWHTMK-SECBINFHSA-N 1 0 173.325 2.270 50 0 AEAARO CC(C)SC[C@@H]1CCCC[NH2+]1 43495431 166565897 /nfs/dbraw/zinc/56/58/97/166565897.db2.gz QQFIWJXCRWHTMK-VIFPVBQESA-N 1 0 173.325 2.270 50 0 AEAARO CC(C)SC[C@@H]1CCC[NH2+]C1 43471786 166565936 /nfs/dbraw/zinc/56/59/36/166565936.db2.gz OIWVHBCHTFAYKL-SECBINFHSA-N 1 0 173.325 2.128 50 0 AEAARO CC(C)[C@@H]([NH3+])c1ccccc1F 41168122 166581691 /nfs/dbraw/zinc/58/16/91/166581691.db2.gz JYMISMQKZXSRIG-SNVBAGLBSA-N 1 0 167.227 2.482 50 0 AEAARO CC(C)[C@@H]1CCC[NH2+]CC1 68591898 166583562 /nfs/dbraw/zinc/58/35/62/166583562.db2.gz PERQRFSWSFUTEO-SECBINFHSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC(C)[C@@H]1CCCCC[NH2+]1 3734867 166584530 /nfs/dbraw/zinc/58/45/30/166584530.db2.gz VZKZJBJGKDYTLW-VIFPVBQESA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC(C)[C@@H]1[NH2+]CCc2cc(O)ccc21 83593971 166591907 /nfs/dbraw/zinc/59/19/07/166591907.db2.gz LUTQVBJMBDCNNQ-LBPRGKRZSA-N 1 0 191.274 2.235 50 0 AEAARO CC(C)[C@H]([NH3+])c1cccc(F)c1 35572051 166607997 /nfs/dbraw/zinc/60/79/97/166607997.db2.gz HMXNHQBIMAWDSQ-JTQLQIEISA-N 1 0 167.227 2.482 50 0 AEAARO CC(C)[C@H]([NH3+])c1cccs1 4207301 166608303 /nfs/dbraw/zinc/60/83/03/166608303.db2.gz VJVICAYVXMSTAM-QMMMGPOBSA-N 1 0 155.266 2.404 50 0 in-vitro AEAARO CC(C)[C@H]([NH3+])c1ccccc1 4207401 166610184 /nfs/dbraw/zinc/61/01/84/166610184.db2.gz UVXXBSCXKKIBCH-JTQLQIEISA-N 1 0 149.237 2.342 50 0 in-vitro AEAARO CC(C)[C@H]1CCC[C@H]([NH3+])C1 57218648 166614325 /nfs/dbraw/zinc/61/43/25/166614325.db2.gz LTCDIKCILSGJJD-IUCAKERBSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC(C)[C@H]1CCC[C@@H]([NH3+])C1 57218650 166614561 /nfs/dbraw/zinc/61/45/61/166614561.db2.gz LTCDIKCILSGJJD-DTWKUNHWSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC(C)[C@H]1CCCC[C@H]1[NH3+] 39398643 166615613 /nfs/dbraw/zinc/61/56/13/166615613.db2.gz IUUHHWALHWRYPY-RKDXNWHRSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC(C)[C@H]1CC[C@@H](C)CC[NH2+]1 5179815 166617496 /nfs/dbraw/zinc/61/74/96/166617496.db2.gz SYLDGZKLJZOUTQ-NXEZZACHSA-N 1 0 155.285 2.421 50 0 in-vitro AEAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH3+] 4300889 166618244 /nfs/dbraw/zinc/61/82/44/166618244.db2.gz RBMUAGDCCJDQLE-OPRDCNLKSA-N 1 0 155.285 2.406 50 0 in-vitro AEAARO CC(C)c1cc(C[NH3+])ccc1F 32914699 166627850 /nfs/dbraw/zinc/62/78/50/166627850.db2.gz AIYMDQHZXUSGRO-UHFFFAOYSA-N 1 0 167.227 2.408 50 0 AEAARO CC(C)c1ccc(C(N)=[NH2+])cc1 14943168 166628434 /nfs/dbraw/zinc/62/84/34/166628434.db2.gz GIJOFUJDYGKZGG-UHFFFAOYSA-N 1 0 162.236 2.094 50 0 in-vitro AEAARO CC(C)c1ccc(NC(N)=[NH2+])cc1 31772060 166631673 /nfs/dbraw/zinc/63/16/73/166631673.db2.gz LPOFCJMZSWBTHH-UHFFFAOYSA-N 1 0 177.251 2.115 50 0 AEAARO CC(C)c1ccc(OCC(N)=[NH2+])cc1 19486300 166632103 /nfs/dbraw/zinc/63/21/03/166632103.db2.gz RQPAFJZCGIGOLM-UHFFFAOYSA-N 1 0 192.262 2.125 50 0 in-vitro AEAARO CC(C)c1ccc2c(c1)CC[NH2+]C2 70652875 166634580 /nfs/dbraw/zinc/63/45/80/166634580.db2.gz SSWUUFFQRQRUNJ-UHFFFAOYSA-N 1 0 175.275 2.456 50 0 in-vitro AEAARO CC(C)c1cccc2c1CC[NH2+]C2 70709472 166635140 /nfs/dbraw/zinc/63/51/40/166635140.db2.gz ZHROCRROFLFSQX-UHFFFAOYSA-N 1 0 175.275 2.456 50 0 in-vitro AEAARO CC(C)n1c(N)[nH+]c2ccccc21 20586057 166651373 /nfs/dbraw/zinc/65/13/73/166651373.db2.gz UDJSHISPNDRJNE-UHFFFAOYSA-N 1 0 175.235 2.199 50 0 in-vitro AEAARO CC(F)(F)c1ccc(C[NH3+])cc1 107268232 166655536 /nfs/dbraw/zinc/65/55/36/166655536.db2.gz COSPLSAVKJQASZ-UHFFFAOYSA-N 1 0 171.190 2.257 50 0 in-vitro AEAARO CC1(C)C=CCC(C)(C)[NH2+]1 1999325 166667071 /nfs/dbraw/zinc/66/70/71/166667071.db2.gz ZYDUNXCLPOKBNQ-UHFFFAOYSA-N 1 0 139.242 2.093 50 0 in-vitro AEAARO CC1(C)CCC[C@@H]1[C@@H]1CC[NH2+]C1 86869618 166672684 /nfs/dbraw/zinc/67/26/84/166672684.db2.gz HLACWAFJKNNXJV-NXEZZACHSA-N 1 0 167.296 2.422 50 0 AEAARO CC1(C)CCCC[C@]1(C)[NH3+] 33610428 166673152 /nfs/dbraw/zinc/67/31/52/166673152.db2.gz FVCWZBVQRLEGDH-VIFPVBQESA-N 1 0 141.258 2.304 50 0 AEAARO CC1(C)CCC[C@H]1[C@H]1CC[NH2+]C1 86869624 166674344 /nfs/dbraw/zinc/67/43/44/166674344.db2.gz HLACWAFJKNNXJV-UWVGGRQHSA-N 1 0 167.296 2.422 50 0 AEAARO CC1(C)CCC[C@@](C)([NH3+])C1 34413802 166674622 /nfs/dbraw/zinc/67/46/22/166674622.db2.gz QTXWDXKTMLBHIW-SECBINFHSA-N 1 0 141.258 2.304 50 0 AEAARO CC1(C)CCC[C@](C)([NH3+])C1 34413804 166675081 /nfs/dbraw/zinc/67/50/81/166675081.db2.gz QTXWDXKTMLBHIW-VIFPVBQESA-N 1 0 141.258 2.304 50 0 AEAARO CC1(C)C[NH2+]CC(C)(C)C1 22066897 166681405 /nfs/dbraw/zinc/68/14/05/166681405.db2.gz TYNBPDGCJJZXPH-UHFFFAOYSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CC1(C)C[NH2+]CC[C@@H]1C(F)(F)F 97117744 166683207 /nfs/dbraw/zinc/68/32/07/166683207.db2.gz QRDBGSBWGYDUMV-LURJTMIESA-N 1 0 181.201 2.184 50 0 in-vitro AEAARO CC1(C)C[NH+]=CN[C@@H]1c1ccccc1 36459248 166683910 /nfs/dbraw/zinc/68/39/10/166683910.db2.gz YBWCYSFSGHUFBG-LLVKDONJSA-N 1 0 188.274 2.385 50 0 AEAARO CC1(C)C[NH2+][C@@H]1c1ccccc1 20596527 166684055 /nfs/dbraw/zinc/68/40/55/166684055.db2.gz QPEZEDNCUGQGIJ-SNVBAGLBSA-N 1 0 161.248 2.357 50 0 in-vitro AEAARO CC1(C)C[C@@H]([NH3+])c2ccc(F)cc2O1 72265796 166685664 /nfs/dbraw/zinc/68/56/64/166685664.db2.gz YWKAMJZSIYJVPP-SECBINFHSA-N 1 0 195.237 2.387 50 0 in-vitro AEAARO CC1(C)C[C@H]([NH3+])C(C)(C)C1 26507340 166690224 /nfs/dbraw/zinc/69/02/24/166690224.db2.gz ROQHBVFBBCUFMZ-ZETCQYMHSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC1(C)C[C@]1(C[NH3+])c1ccccc1 19088151 166692207 /nfs/dbraw/zinc/69/22/07/166692207.db2.gz WOSHSQQCFZHNIW-LBPRGKRZSA-N 1 0 175.275 2.313 50 0 in-vitro AEAARO CC1(C)Cc2ccsc2C[NH2+]1 34479142 166692936 /nfs/dbraw/zinc/69/29/36/166692936.db2.gz XIGNRIZVQFQSAS-UHFFFAOYSA-N 1 0 167.277 2.172 50 0 AEAARO CC1(C)[NH2+]CCc2ccccc21 32189071 166693770 /nfs/dbraw/zinc/69/37/70/166693770.db2.gz PJFODMSKYKYLCZ-UHFFFAOYSA-N 1 0 161.248 2.067 50 0 in-vitro AEAARO CC1(C)[NH2+]C[C@]2(C)CC[C@H]1C2 75540560 166693776 /nfs/dbraw/zinc/69/37/76/166693776.db2.gz XHOIXELAUYAUPH-WCBMZHEXSA-N 1 0 153.269 2.175 50 0 AEAARO CC1(C)[NH2+]Cc2ccccc21 38995597 166694265 /nfs/dbraw/zinc/69/42/65/166694265.db2.gz RWKQPYSOHLEHKW-UHFFFAOYSA-N 1 0 147.221 2.025 50 0 in-vitro AEAARO CC1(C)[C@@H]2CC[C@@]1(C)C[NH2+]C2 3845929 166699863 /nfs/dbraw/zinc/69/98/63/166699863.db2.gz CHRAJVQLWOMYQI-SCZZXKLOSA-N 1 0 153.269 2.032 50 0 AEAARO CC1(C)[C@H]2CC[C@]1(C)C[NH2+]C2 3845928 166701558 /nfs/dbraw/zinc/70/15/58/166701558.db2.gz CHRAJVQLWOMYQI-WCBMZHEXSA-N 1 0 153.269 2.032 50 0 in-vitro AEAARO CC1CCC(C)(C[NH3+])CC1 77260329 166743871 /nfs/dbraw/zinc/74/38/71/166743871.db2.gz VJRVEAHNLZDWPQ-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CC1CCC([NH2+]C[C@H]2CCCO2)CC1 220593 166746940 /nfs/dbraw/zinc/74/69/40/166746940.db2.gz PXDDZIWTUJYLBQ-HTAVTVPLSA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO CC1CCC(OC2CC[NH2+]CC2)CC1 19440140 166747081 /nfs/dbraw/zinc/74/70/81/166747081.db2.gz OXPMCDBDCSUDDM-UHFFFAOYSA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO CC1CCC2(CC[NH2+]C2)CC1 47218702 166748572 /nfs/dbraw/zinc/74/85/72/166748572.db2.gz SGJOFPWLAFWQEP-UHFFFAOYSA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO CC1CCC2(CC1)[NH2+]CCS2 3625761 166750067 /nfs/dbraw/zinc/75/00/67/166750067.db2.gz OWSMXZFIYFMBQY-UHFFFAOYSA-N 1 0 171.309 2.229 50 0 AEAARO CCC(C)(C)[NH2+]Cc1cccnc1 13717856 166783236 /nfs/dbraw/zinc/78/32/36/166783236.db2.gz YZNWAGZPCSNRHJ-UHFFFAOYSA-N 1 0 178.279 2.360 50 0 AEAARO CCC(C)(C)[NH2+]Cc1ccncc1 13717849 166784571 /nfs/dbraw/zinc/78/45/71/166784571.db2.gz QTGGCAINYNGEPD-UHFFFAOYSA-N 1 0 178.279 2.360 50 0 AEAARO CCC(CC)[NH2+]CC(C)C 19883068 166794894 /nfs/dbraw/zinc/79/48/94/166794894.db2.gz SMLLWBRDZNXWLV-UHFFFAOYSA-N 1 0 143.274 2.421 50 0 in-vitro AEAARO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1O 37490739 166797099 /nfs/dbraw/zinc/79/70/99/166797099.db2.gz GGTMVHIRPRQMJX-MNOVXSKESA-N 1 0 185.311 2.068 50 0 AEAARO CCC(CC)Nc1cc[nH+]cc1N 20381616 166798696 /nfs/dbraw/zinc/79/86/96/166798696.db2.gz HDNCIJPBJGEGIY-UHFFFAOYSA-N 1 0 179.267 2.264 50 0 in-vitro AEAARO CCC(CC)[NH2+][C@H]1CCCC[C@H]1O 37490742 166798969 /nfs/dbraw/zinc/79/89/69/166798969.db2.gz GGTMVHIRPRQMJX-WDEREUQCSA-N 1 0 185.311 2.068 50 0 AEAARO CCC1(C)CCC([NH3+])CC1 72314393 166804779 /nfs/dbraw/zinc/80/47/79/166804779.db2.gz NKTOOIBWEAQHBU-UHFFFAOYSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC1(CC)CC[NH2+]CC1 1698152 166805533 /nfs/dbraw/zinc/80/55/33/166805533.db2.gz DGZSVBBLLGZHSF-UHFFFAOYSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCC1([NH3+])CCCCCC1 37376624 166808344 /nfs/dbraw/zinc/80/83/44/166808344.db2.gz WJKBJDQVXXTCDN-UHFFFAOYSA-N 1 0 141.258 2.448 50 0 AEAARO CCC1CCC([NH2+]C)CC1 21959835 166812044 /nfs/dbraw/zinc/81/20/44/166812044.db2.gz QMMUYVTYTBICLS-UHFFFAOYSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCCCCC[NH+](C)C 2539250 166852518 /nfs/dbraw/zinc/85/25/18/166852518.db2.gz QMHNQZGXPNCMCO-UHFFFAOYSA-N 1 0 129.247 2.128 50 0 AEAARO CCCCCC[C@@H](C)[NH3+] 1707936 166854719 /nfs/dbraw/zinc/85/47/19/166854719.db2.gz HBXNJMZWGSCKPW-MRVPVSSYSA-N 1 0 129.247 2.304 50 0 AEAARO CCCCCC[C@H](C)[NH3+] 2014816 166856977 /nfs/dbraw/zinc/85/69/77/166856977.db2.gz HBXNJMZWGSCKPW-QMMMGPOBSA-N 1 0 129.247 2.304 50 0 AEAARO CCCCC[C@H]1CCC[NH2+]1 3732229 166877071 /nfs/dbraw/zinc/87/70/71/166877071.db2.gz LVLVZGGJJOWJSU-VIFPVBQESA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO CCCC[NH2+]CCCC 1666746 166898329 /nfs/dbraw/zinc/89/83/29/166898329.db2.gz JQVDAXLFBXTEQA-UHFFFAOYSA-N 1 0 129.247 2.176 50 0 in-vitro AEAARO CCCC[NH2+]Cc1ccc(O)cc1 19906910 166899789 /nfs/dbraw/zinc/89/97/89/166899789.db2.gz JFLBZGZQRGKIGA-UHFFFAOYSA-N 1 0 179.263 2.282 50 0 in-vitro AEAARO CCCC[NH2+][C@@H](C)CC 4529467 166901194 /nfs/dbraw/zinc/90/11/94/166901194.db2.gz MWZXRLJDNKCYOQ-QMMMGPOBSA-N 1 0 129.247 2.175 50 0 AEAARO CCCCOCCC1CC[NH2+]CC1 1655613 166905687 /nfs/dbraw/zinc/90/56/87/166905687.db2.gz JVSPINOXKQMDFN-UHFFFAOYSA-N 1 0 185.311 2.193 50 0 AEAARO CCCCOCC[C@H]1CCC[NH2+]C1 42771753 166906907 /nfs/dbraw/zinc/90/69/07/166906907.db2.gz UEQUGOOXOXZCQN-LLVKDONJSA-N 1 0 185.311 2.193 50 0 AEAARO CCCCO[C@@H]1C[C@@H]([NH2+]C)C1(C)C 72266596 166907212 /nfs/dbraw/zinc/90/72/12/166907212.db2.gz CEDKRBZVHVWKPM-NXEZZACHSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCCCOc1cccc(C[NH3+])c1 11956172 166910295 /nfs/dbraw/zinc/91/02/95/166910295.db2.gz RFECGYGOELAKNP-UHFFFAOYSA-N 1 0 179.263 2.324 50 0 in-vitro AEAARO CCCCOc1ccc(CC[NH3+])cc1 3603678 166910537 /nfs/dbraw/zinc/91/05/37/166910537.db2.gz OIOGOZZYBQRPLA-UHFFFAOYSA-N 1 0 193.290 2.367 50 0 in-vitro AEAARO CCCCSCCSC(N)=[NH2+] 4343286 166912418 /nfs/dbraw/zinc/91/24/18/166912418.db2.gz JDYOFYCELLNZLT-UHFFFAOYSA-N 1 0 192.353 2.146 50 0 AEAARO CCCC[C@@H]([NH3+])c1ccccn1 53816973 166916830 /nfs/dbraw/zinc/91/68/30/166916830.db2.gz KZQIWHPNHAHKQG-SECBINFHSA-N 1 0 164.252 2.272 50 0 AEAARO CCCC[C@@H]1CCC[NH2+]C1 6778683 166919376 /nfs/dbraw/zinc/91/93/76/166919376.db2.gz HWWOYRDUDOPLLL-SECBINFHSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCCC[C@@H]1CCC[C@@H]1[NH3+] 42397744 166919616 /nfs/dbraw/zinc/91/96/16/166919616.db2.gz SKBPHDIPQLGWNR-BDAKNGLRSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCCC[C@@H]1CCC[C@H]1[NH3+] 42397751 166920702 /nfs/dbraw/zinc/92/07/02/166920702.db2.gz SKBPHDIPQLGWNR-RKDXNWHRSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCCC[C@H]([NH3+])c1ccccn1 53816972 166927027 /nfs/dbraw/zinc/92/70/27/166927027.db2.gz KZQIWHPNHAHKQG-VIFPVBQESA-N 1 0 164.252 2.272 50 0 AEAARO CCCC[C@H]1CCC[C@H]1[NH3+] 42397754 166929446 /nfs/dbraw/zinc/92/94/46/166929446.db2.gz SKBPHDIPQLGWNR-DTWKUNHWSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[N@H+](CCO)[C@@H]1CCC[C@H](C)C1 280555 166960290 /nfs/dbraw/zinc/96/02/90/166960290.db2.gz NBSZUZVRSOMROT-NWDGAFQWSA-N 1 0 199.338 2.269 50 0 AEAARO CCC[NH+]1CCC(C)CC1 2171746 166963860 /nfs/dbraw/zinc/96/38/60/166963860.db2.gz FOAQPTXFAULJNM-UHFFFAOYSA-N 1 0 141.258 2.128 50 0 AEAARO CCC[NH2+]CCOc1ccccc1 20361246 166988785 /nfs/dbraw/zinc/98/87/85/166988785.db2.gz FBRGWNDXBBWEHK-UHFFFAOYSA-N 1 0 179.263 2.065 50 0 AEAARO CCC[NH2+]CCc1ccccc1 2510416 166989130 /nfs/dbraw/zinc/98/91/30/166989130.db2.gz IIIRPZWDICEMGU-UHFFFAOYSA-N 1 0 163.264 2.229 50 0 in-vitro AEAARO CCC[NH2+]Cc1cccc(F)c1 6380496 166990124 /nfs/dbraw/zinc/99/01/24/166990124.db2.gz OORHPLFSYCEZIP-UHFFFAOYSA-N 1 0 167.227 2.325 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccccc1OC 7262413 166990561 /nfs/dbraw/zinc/99/05/61/166990561.db2.gz JDUNMOVTNMQDIG-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccc(F)cc1 7262376 166991071 /nfs/dbraw/zinc/99/10/71/166991071.db2.gz QXJDUPVWQCCQKO-UHFFFAOYSA-N 1 0 167.227 2.325 50 0 in-vitro AEAARO CCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C 68577432 166998204 /nfs/dbraw/zinc/99/82/04/166998204.db2.gz LWQXKQVCJVERMY-NXEZZACHSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCC[NH2+][C@H](C)[C@H](C)CC 20084305 167000914 /nfs/dbraw/zinc/00/09/14/167000914.db2.gz XIGAQVHJQKWWCO-RKDXNWHRSA-N 1 0 143.274 2.421 50 0 AEAARO CCC[NH2+][C@H](C)C(C)C 19091306 167000981 /nfs/dbraw/zinc/00/09/81/167000981.db2.gz FUUDGATULFIMIN-MRVPVSSYSA-N 1 0 129.247 2.031 50 0 in-vitro AEAARO CCC[NH2+][C@H](C)[C@@H](C)CC 20084299 167001024 /nfs/dbraw/zinc/00/10/24/167001024.db2.gz XIGAQVHJQKWWCO-DTWKUNHWSA-N 1 0 143.274 2.421 50 0 AEAARO CCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C 68577434 167002036 /nfs/dbraw/zinc/00/20/36/167002036.db2.gz LWQXKQVCJVERMY-VHSXEESVSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCC[NH2+][C@H]1C[C@H](OCC)C1(C)C 68577429 167003452 /nfs/dbraw/zinc/00/34/52/167003452.db2.gz LWQXKQVCJVERMY-UWVGGRQHSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCC[NH2+][C@H]1CCCc2cccnc21 85789418 167004001 /nfs/dbraw/zinc/00/40/01/167004001.db2.gz CEQKAGKGPVMRMS-NSHDSACASA-N 1 0 190.290 2.459 50 0 in-vitro AEAARO CCCOC1(C[NH3+])CCCCC1 50482716 167012538 /nfs/dbraw/zinc/01/25/38/167012538.db2.gz FKUABSUPNUSVKL-UHFFFAOYSA-N 1 0 171.284 2.075 50 0 in-vitro AEAARO CCCOCc1ccccc1C[NH3+] 32625245 167013743 /nfs/dbraw/zinc/01/37/43/167013743.db2.gz ASLMOIVIRNCRJE-UHFFFAOYSA-N 1 0 179.263 2.072 50 0 in-vitro AEAARO CCCOc1cc(C)ccc1C[NH3+] 51581039 167016070 /nfs/dbraw/zinc/01/60/70/167016070.db2.gz FOXKWMVTXWCZIZ-UHFFFAOYSA-N 1 0 179.263 2.243 50 0 in-vitro AEAARO CCCOc1cccc(C[NH2+]C)c1 19776908 167018341 /nfs/dbraw/zinc/01/83/41/167018341.db2.gz IMDGTVPBKGXTKT-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 AEAARO CCCOc1ccc(C[NH3+])c(C)c1 71453446 167018435 /nfs/dbraw/zinc/01/84/35/167018435.db2.gz OGNCHXHDJGOEHL-UHFFFAOYSA-N 1 0 179.263 2.243 50 0 in-vitro AEAARO CCCOc1ccc(C[NH2+]C)cc1 19776907 167019174 /nfs/dbraw/zinc/01/91/74/167019174.db2.gz LURCNPYKJBXGPS-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 AEAARO CCCOc1ccc([C@@H](C)[NH3+])cc1 12506448 167020041 /nfs/dbraw/zinc/02/00/41/167020041.db2.gz CGMYQZSDLTVWPQ-SECBINFHSA-N 1 0 179.263 2.495 50 0 biogenic,in-vitro AEAARO CCCOc1ccc([C@H](C)[NH3+])cc1 12506450 167020103 /nfs/dbraw/zinc/02/01/03/167020103.db2.gz CGMYQZSDLTVWPQ-VIFPVBQESA-N 1 0 179.263 2.495 50 0 biogenic,in-vitro AEAARO CCCOc1ccc2c(c1)CC[NH2+]C2 70622185 167020181 /nfs/dbraw/zinc/02/01/81/167020181.db2.gz KLIFEOWIBMQNNT-UHFFFAOYSA-N 1 0 191.274 2.121 50 0 in-vitro AEAARO CCCOc1ccccc1[C@@H](C)[NH3+] 19092166 167020738 /nfs/dbraw/zinc/02/07/38/167020738.db2.gz YMYIRGXYTSENMW-SECBINFHSA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CCCOc1cccc([C@@H](C)[NH3+])c1 19737244 167021550 /nfs/dbraw/zinc/02/15/50/167021550.db2.gz GOORERYFOCDRFX-SECBINFHSA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CCCOc1cccc([C@H](C)[NH3+])c1 19737245 167022028 /nfs/dbraw/zinc/02/20/28/167022028.db2.gz GOORERYFOCDRFX-VIFPVBQESA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CCCOc1ccccc1CCC[NH3+] 20130236 167022156 /nfs/dbraw/zinc/02/21/56/167022156.db2.gz SHIZRBFISXMAIX-UHFFFAOYSA-N 1 0 193.290 2.367 50 0 in-vitro AEAARO CCCOc1ccccc1[C@H](C)[NH3+] 19092170 167022160 /nfs/dbraw/zinc/02/21/60/167022160.db2.gz YMYIRGXYTSENMW-VIFPVBQESA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CCCSC[C@@H]([NH2+]C)C1CC1 81833696 167023806 /nfs/dbraw/zinc/02/38/06/167023806.db2.gz NBQNJHADYKLNRC-SECBINFHSA-N 1 0 173.325 2.128 50 0 AEAARO CCCSC[C@H]([NH2+]C)C1CC1 81833690 167024305 /nfs/dbraw/zinc/02/43/05/167024305.db2.gz NBQNJHADYKLNRC-VIFPVBQESA-N 1 0 173.325 2.128 50 0 AEAARO CCC[C@@H](C)C[NH+]1CCC(=O)CC1 51320578 167029752 /nfs/dbraw/zinc/02/97/52/167029752.db2.gz JJUVZKUOTCMFGJ-SNVBAGLBSA-N 1 0 183.295 2.088 50 0 in-vitro AEAARO CCC[C@@H](C)[C@@H](C)[NH2+]CC 37949483 167037108 /nfs/dbraw/zinc/03/71/08/167037108.db2.gz LYDYDXSIASJTLD-RKDXNWHRSA-N 1 0 143.274 2.421 50 0 in-vitro AEAARO CCC[C@@H](C)[C@H]1[NH2+]CCCS1 19925225 167037664 /nfs/dbraw/zinc/03/76/64/167037664.db2.gz RTGSJOUFKVMUFN-BDAKNGLRSA-N 1 0 173.325 2.475 50 0 AEAARO CCC[C@@H](C)[C@@H]1CCC[NH2+]1 20251807 167037693 /nfs/dbraw/zinc/03/76/93/167037693.db2.gz IXCHPPILTWOTIC-BDAKNGLRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@@H](C)[C@@H]1[NH2+]CCCS1 19925221 167037996 /nfs/dbraw/zinc/03/79/96/167037996.db2.gz RTGSJOUFKVMUFN-RKDXNWHRSA-N 1 0 173.325 2.475 50 0 AEAARO CCC[C@@H](C)[C@H]1CCC[NH2+]1 20251810 167038043 /nfs/dbraw/zinc/03/80/43/167038043.db2.gz IXCHPPILTWOTIC-RKDXNWHRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@@H](C)[C@H](C)[NH2+]CC 37949485 167039545 /nfs/dbraw/zinc/03/95/45/167039545.db2.gz LYDYDXSIASJTLD-BDAKNGLRSA-N 1 0 143.274 2.421 50 0 in-vitro AEAARO CCC[C@@H]([NH3+])C(C)(C)C 34496805 167043378 /nfs/dbraw/zinc/04/33/78/167043378.db2.gz JGIHOPRCMAKAIO-SSDOTTSWSA-N 1 0 129.247 2.160 50 0 AEAARO CCC[C@@H]([NH3+])C1CCCC1 37466951 167045130 /nfs/dbraw/zinc/04/51/30/167045130.db2.gz FIFGMKPLENXJCW-SECBINFHSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[C@@H]([NH3+])c1ccc(OC)cc1 19415369 167046122 /nfs/dbraw/zinc/04/61/22/167046122.db2.gz YFIJHKACBGRMFQ-LLVKDONJSA-N 1 0 179.263 2.495 50 0 AEAARO CCC[C@@H]([NH2+]C)C(=O)c1ccccc1 71746284 167047299 /nfs/dbraw/zinc/04/72/99/167047299.db2.gz WLIWIUNEJRETFX-LLVKDONJSA-N 1 0 191.274 2.257 50 0 in-vitro AEAARO CCC[C@@H]([NH3+])Cc1ccccc1 5311039 167047347 /nfs/dbraw/zinc/04/73/47/167047347.db2.gz VXGQDFOHLMAZIV-LLVKDONJSA-N 1 0 163.264 2.357 50 0 in-vitro AEAARO CCC[C@@H]([NH2+]C)c1ccccn1 37467446 167048573 /nfs/dbraw/zinc/04/85/73/167048573.db2.gz VBLRXHGJUDACMA-SECBINFHSA-N 1 0 164.252 2.142 50 0 in-vitro AEAARO CCC[C@@H]([NH3+])c1ccccc1 3333291 167048924 /nfs/dbraw/zinc/04/89/24/167048924.db2.gz XHOXKVFLASIOJD-SNVBAGLBSA-N 1 0 149.237 2.487 50 0 in-vitro AEAARO CCC[C@@H]([NH3+])c1ccc2c(c1)OCO2 2512950 167048938 /nfs/dbraw/zinc/04/89/38/167048938.db2.gz DFTBFIMTDRVUQC-SECBINFHSA-N 1 0 193.246 2.215 50 0 AEAARO CCC[C@@H]1CCCCC[NH2+]1 3734840 167052372 /nfs/dbraw/zinc/05/23/72/167052372.db2.gz JTPMDWPBRFXVQO-SECBINFHSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO CCC[C@@H]1CCCC[C@H]1[NH3+] 22130020 167052554 /nfs/dbraw/zinc/05/25/54/167052554.db2.gz DWVNXHKKIRXAOL-RKDXNWHRSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[C@@H]1CCC[C@@H]1C[NH3+] 87939752 167052576 /nfs/dbraw/zinc/05/25/76/167052576.db2.gz RLINEUMGGGQCKP-RKDXNWHRSA-N 1 0 141.258 2.162 50 0 AEAARO CCC[C@@H]1CCCC[N@@H+]1C 5521560 167052636 /nfs/dbraw/zinc/05/26/36/167052636.db2.gz CUBHREGSQFAWDJ-SECBINFHSA-N 1 0 141.258 2.271 50 0 in-vitro AEAARO CCC[C@@H]1CCCC[C@@H]1[NH3+] 22130018 167053179 /nfs/dbraw/zinc/05/31/79/167053179.db2.gz DWVNXHKKIRXAOL-BDAKNGLRSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[C@@H]1CCC[NH2+]CC1 35359198 167053378 /nfs/dbraw/zinc/05/33/78/167053378.db2.gz ZCDGBJLOJKEZMZ-SECBINFHSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCC[C@@H]1CCC[C@H]1C[NH3+] 87939756 167053999 /nfs/dbraw/zinc/05/39/99/167053999.db2.gz RLINEUMGGGQCKP-BDAKNGLRSA-N 1 0 141.258 2.162 50 0 AEAARO CCC[C@@H]1[NH2+]CCC[C@@H]1C 58836630 167055685 /nfs/dbraw/zinc/05/56/85/167055685.db2.gz YWONHAVCGANMBH-IUCAKERBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@@H]1[NH2+]CCC[C@H]1C 58836624 167056866 /nfs/dbraw/zinc/05/68/66/167056866.db2.gz YWONHAVCGANMBH-BDAKNGLRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@@](O)(CC)CC(C)=[NH2+] 399051 167060264 /nfs/dbraw/zinc/06/02/64/167060264.db2.gz YTIBYPXKBVCSCU-VIFPVBQESA-N 1 0 157.257 2.357 50 0 AEAARO CCC[C@@]1(C)CCC[NH2+]C1 34423834 167061403 /nfs/dbraw/zinc/06/14/03/167061403.db2.gz BXAVWTMYJUJAAX-VIFPVBQESA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCC[C@H](C)C[NH+]1CCC(=O)CC1 51320580 167064819 /nfs/dbraw/zinc/06/48/19/167064819.db2.gz JJUVZKUOTCMFGJ-JTQLQIEISA-N 1 0 183.295 2.088 50 0 in-vitro AEAARO CCC[C@H](C)[C@@H]1CCC[NH2+]1 20251809 167072244 /nfs/dbraw/zinc/07/22/44/167072244.db2.gz IXCHPPILTWOTIC-IUCAKERBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@H](C)[C@H]1CCC[NH2+]1 20251812 167072302 /nfs/dbraw/zinc/07/23/02/167072302.db2.gz IXCHPPILTWOTIC-DTWKUNHWSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@H](C)[C@H]1[NH2+]CCCS1 19925226 167072462 /nfs/dbraw/zinc/07/24/62/167072462.db2.gz RTGSJOUFKVMUFN-IUCAKERBSA-N 1 0 173.325 2.475 50 0 AEAARO CCC[C@H](C)[C@H](C)[NH2+]CC 37949486 167073503 /nfs/dbraw/zinc/07/35/03/167073503.db2.gz LYDYDXSIASJTLD-IUCAKERBSA-N 1 0 143.274 2.421 50 0 in-vitro AEAARO CCC[C@H](C)[C@@H](C)[NH2+]CC 37949484 167073872 /nfs/dbraw/zinc/07/38/72/167073872.db2.gz LYDYDXSIASJTLD-DTWKUNHWSA-N 1 0 143.274 2.421 50 0 in-vitro AEAARO CCC[C@H](C)[C@@H]1[NH2+]CCCS1 19925223 167074556 /nfs/dbraw/zinc/07/45/56/167074556.db2.gz RTGSJOUFKVMUFN-DTWKUNHWSA-N 1 0 173.325 2.475 50 0 AEAARO CCC[C@H]([NH3+])C1CCCC1 37466949 167078423 /nfs/dbraw/zinc/07/84/23/167078423.db2.gz FIFGMKPLENXJCW-VIFPVBQESA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[C@H]([NH3+])C(C)(C)C 34496804 167080497 /nfs/dbraw/zinc/08/04/97/167080497.db2.gz JGIHOPRCMAKAIO-ZETCQYMHSA-N 1 0 129.247 2.160 50 0 AEAARO CCC[C@H]([NH3+])c1ccccc1 3333288 167080916 /nfs/dbraw/zinc/08/09/16/167080916.db2.gz XHOXKVFLASIOJD-JTQLQIEISA-N 1 0 149.237 2.487 50 0 in-vitro AEAARO CCC[C@H]([NH3+])Cc1ccccc1 5310824 167080978 /nfs/dbraw/zinc/08/09/78/167080978.db2.gz VXGQDFOHLMAZIV-NSHDSACASA-N 1 0 163.264 2.357 50 0 in-vitro AEAARO CCC[C@H]([NH2+]C)c1ccccn1 37467444 167082176 /nfs/dbraw/zinc/08/21/76/167082176.db2.gz VBLRXHGJUDACMA-VIFPVBQESA-N 1 0 164.252 2.142 50 0 in-vitro AEAARO CCC[C@H]([NH2+]C)[C@H](O)c1ccccc1 1998668 167082402 /nfs/dbraw/zinc/08/24/02/167082402.db2.gz KJHDJPCRJFLIHX-NWDGAFQWSA-N 1 0 193.290 2.108 50 0 in-vitro AEAARO CCC[C@H]([NH2+]C)C(=O)c1ccccc1 71746283 167083425 /nfs/dbraw/zinc/08/34/25/167083425.db2.gz WLIWIUNEJRETFX-NSHDSACASA-N 1 0 191.274 2.257 50 0 in-vitro AEAARO CCC[C@H]([NH3+])c1ccc(OC)cc1 19415370 167083879 /nfs/dbraw/zinc/08/38/79/167083879.db2.gz YFIJHKACBGRMFQ-NSHDSACASA-N 1 0 179.263 2.495 50 0 AEAARO CCC[C@H]1CCC[C@H]1C[NH3+] 87939758 167087407 /nfs/dbraw/zinc/08/74/07/167087407.db2.gz RLINEUMGGGQCKP-IUCAKERBSA-N 1 0 141.258 2.162 50 0 AEAARO CCC[C@H]1CCC[NH2+]CC1 35359199 167087810 /nfs/dbraw/zinc/08/78/10/167087810.db2.gz ZCDGBJLOJKEZMZ-VIFPVBQESA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCC[C@H]1CCCC[N@@H+]1C 1585344 167088391 /nfs/dbraw/zinc/08/83/91/167088391.db2.gz CUBHREGSQFAWDJ-VIFPVBQESA-N 1 0 141.258 2.271 50 0 biogenic,in-vitro AEAARO CCC[C@H]1CCCC[C@H]1[NH3+] 6780138 167088401 /nfs/dbraw/zinc/08/84/01/167088401.db2.gz DWVNXHKKIRXAOL-DTWKUNHWSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[C@H]1CCCC[C@@H]1[NH3+] 22130019 167089049 /nfs/dbraw/zinc/08/90/49/167089049.db2.gz DWVNXHKKIRXAOL-IUCAKERBSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCC[C@H]1CCC[C@@H]1C[NH3+] 87939754 167089215 /nfs/dbraw/zinc/08/92/15/167089215.db2.gz RLINEUMGGGQCKP-DTWKUNHWSA-N 1 0 141.258 2.162 50 0 AEAARO CCC[C@H]1CCCCC[NH2+]1 3734839 167089274 /nfs/dbraw/zinc/08/92/74/167089274.db2.gz JTPMDWPBRFXVQO-VIFPVBQESA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO CCC[C@H]1[NH2+]CCC[C@H]1C 58836620 167089854 /nfs/dbraw/zinc/08/98/54/167089854.db2.gz YWONHAVCGANMBH-RKDXNWHRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@H]1[NH2+]CCC[C@@H]1C 58836629 167090304 /nfs/dbraw/zinc/09/03/04/167090304.db2.gz YWONHAVCGANMBH-DTWKUNHWSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC[C@](O)(CC)CC(C)=[NH2+] 4759949 167094430 /nfs/dbraw/zinc/09/44/30/167094430.db2.gz YTIBYPXKBVCSCU-SECBINFHSA-N 1 0 157.257 2.357 50 0 AEAARO CCC[n+]1ccc(C)c(C)c1 2156577 167095975 /nfs/dbraw/zinc/09/59/75/167095975.db2.gz AYMKSZFRUUGFHB-UHFFFAOYSA-N 1 0 150.245 2.001 50 0 AEAARO CCC[C@]1(C)CCC[NH2+]C1 34423832 167096561 /nfs/dbraw/zinc/09/65/61/167096561.db2.gz BXAVWTMYJUJAAX-SECBINFHSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCC[n+]1ccn2c(C)ccc2c1C 270711 167096934 /nfs/dbraw/zinc/09/69/34/167096934.db2.gz PCYYAFSWXLARQX-UHFFFAOYSA-N 1 0 189.282 2.254 50 0 AEAARO CCCc1cc([C@H]2CCC[NH2+]2)no1 12397626 167102885 /nfs/dbraw/zinc/10/28/85/167102885.db2.gz IAUIEWRFLJGUJS-SECBINFHSA-N 1 0 180.251 2.052 50 0 AEAARO CCCc1cc([C@@H]2CCC[NH2+]2)no1 12397624 167103011 /nfs/dbraw/zinc/10/30/11/167103011.db2.gz IAUIEWRFLJGUJS-VIFPVBQESA-N 1 0 180.251 2.052 50 0 AEAARO CCCc1ccc(C[NH3+])cc1 2524632 167103773 /nfs/dbraw/zinc/10/37/73/167103773.db2.gz XOADGIXTUMJDDN-UHFFFAOYSA-N 1 0 149.237 2.098 50 0 in-vitro AEAARO CCCc1ccccc1C[NH3+] 84426549 167106795 /nfs/dbraw/zinc/10/67/95/167106795.db2.gz PMVKAPTVFIPZNA-UHFFFAOYSA-N 1 0 149.237 2.098 50 0 AEAARO CCCc1[nH+]c2cc(N)ccc2n1C 4944085 167113370 /nfs/dbraw/zinc/11/33/70/167113370.db2.gz UKNTUNFBRCJCNV-UHFFFAOYSA-N 1 0 189.262 2.108 50 0 AEAARO CCCc1[nH]c2ccc(N)cc2[nH+]1 10338351 167113512 /nfs/dbraw/zinc/11/35/12/167113512.db2.gz YDCYVATUNIDYNB-UHFFFAOYSA-N 1 0 175.235 2.098 50 0 AEAARO CCCn1c(C)[nH+]c2cc(N)ccc21 9280465 167117631 /nfs/dbraw/zinc/11/76/31/167117631.db2.gz HVARBUKDORTRNQ-UHFFFAOYSA-N 1 0 189.262 2.337 50 0 in-vitro AEAARO CCCn1c(N)[nH+]c2ccccc21 305709 167117712 /nfs/dbraw/zinc/11/77/12/167117712.db2.gz MGKUHRRJQCKXOW-UHFFFAOYSA-N 1 0 175.235 2.029 50 0 in-vitro AEAARO CCN(/C=C/[NH+](CC)CC)CC 3070168 167123834 /nfs/dbraw/zinc/12/38/34/167123834.db2.gz OSAXUDJOIOXQFR-MDZDMXLPSA-N 1 0 170.300 2.141 50 0 AEAARO CC[NH+](C(C)C)C(C)C 1713176 167130786 /nfs/dbraw/zinc/13/07/86/167130786.db2.gz JGFZNNIVVJXRND-UHFFFAOYSA-N 1 0 129.247 2.125 50 0 in-vitro AEAARO CC[N@H+](C)Cc1ccccc1 1693775 167146386 /nfs/dbraw/zinc/14/63/86/167146386.db2.gz ABRGFZIXRKAUJS-UHFFFAOYSA-N 1 0 149.237 2.138 50 0 in-vitro AEAARO CC[N@H+](C)[C@@H](C)[C@@H](O)c1ccccc1 261 167146477 /nfs/dbraw/zinc/14/64/77/167146477.db2.gz IRVLBORJKFZWMI-CMPLNLGQSA-N 1 0 193.290 2.060 50 0 in-man AEAARO CC[N@H+](C)[C@@H](C)[C@H](O)c1ccccc1 1846418 167147367 /nfs/dbraw/zinc/14/73/67/167147367.db2.gz IRVLBORJKFZWMI-JQWIXIFHSA-N 1 0 193.290 2.060 50 0 world AEAARO CC[N@H+](C)[C@H](C)[C@H](O)c1ccccc1 5649583 167148780 /nfs/dbraw/zinc/14/87/80/167148780.db2.gz IRVLBORJKFZWMI-PWSUYJOCSA-N 1 0 193.290 2.060 50 0 in-man AEAARO CC[N@H+](C)[C@H](C)[C@@H](O)c1ccccc1 11679991 167149136 /nfs/dbraw/zinc/14/91/36/167149136.db2.gz IRVLBORJKFZWMI-ZYHUDNBSSA-N 1 0 193.290 2.060 50 0 in-man AEAARO CCN(C1CCCCC1)[C@@H]1CC[NH2+]C1 42783315 167154061 /nfs/dbraw/zinc/15/40/61/167154061.db2.gz KBODESKUOZBMPC-GFCCVEGCSA-N 1 0 196.338 2.003 50 0 AEAARO CCN(C1CCCCC1)[C@H]1CC[NH2+]C1 42783316 167154473 /nfs/dbraw/zinc/15/44/73/167154473.db2.gz KBODESKUOZBMPC-LBPRGKRZSA-N 1 0 196.338 2.003 50 0 AEAARO CC[NH+](CC)C[C@@H](O)c1ccccc1 4798436 167165491 /nfs/dbraw/zinc/16/54/91/167165491.db2.gz YTVTUNSBFXBFQJ-GFCCVEGCSA-N 1 0 193.290 2.062 50 0 AEAARO CCN(CC)CC[NH2+]C1CCCCC1 19365595 167166849 /nfs/dbraw/zinc/16/68/49/167166849.db2.gz PRRMLKSVHIYPDE-UHFFFAOYSA-N 1 0 198.354 2.251 50 0 AEAARO CC[NH+](CC)C[C@@H](N)c1ccccc1 19230057 167166859 /nfs/dbraw/zinc/16/68/59/167166859.db2.gz XEIFQVOOARCSSS-GFCCVEGCSA-N 1 0 192.306 2.028 50 0 in-vitro AEAARO CC[NH+](CC)CCNc1ccccc1 394077 167167387 /nfs/dbraw/zinc/16/73/87/167167387.db2.gz QUMIGAREEPSVLG-UHFFFAOYSA-N 1 0 192.306 2.440 50 0 AEAARO CC[NH+](CC)CCOc1ccccc1 6667403 167167613 /nfs/dbraw/zinc/16/76/13/167167613.db2.gz OOYKEEROCQGXPH-UHFFFAOYSA-N 1 0 193.290 2.407 50 0 in-vitro AEAARO CC[NH+](CC)Cc1ccc(CO)cc1 37631007 167169465 /nfs/dbraw/zinc/16/94/65/167169465.db2.gz BCTQOKMMSCGSIZ-UHFFFAOYSA-N 1 0 193.290 2.021 50 0 AEAARO CC[NH+](CC)C[C@H](N)c1ccccc1 19230059 167169782 /nfs/dbraw/zinc/16/97/82/167169782.db2.gz XEIFQVOOARCSSS-LBPRGKRZSA-N 1 0 192.306 2.028 50 0 in-vitro AEAARO CC[NH+](CC)Cc1ccc(O)cc1 34273269 167169970 /nfs/dbraw/zinc/16/99/70/167169970.db2.gz MAFHOFLRHFJFSE-UHFFFAOYSA-N 1 0 179.263 2.234 50 0 AEAARO CC[NH+](CC)Cc1cc(F)ccc1N 35308363 167170065 /nfs/dbraw/zinc/17/00/65/167170065.db2.gz UVAASPKLGHIKRI-UHFFFAOYSA-N 1 0 196.269 2.250 50 0 AEAARO CC[NH+](CC)Cc1ccc(C=O)cc1 20608625 167170291 /nfs/dbraw/zinc/17/02/91/167170291.db2.gz RXQRWFHYALUBCC-UHFFFAOYSA-N 1 0 191.274 2.341 50 0 AEAARO CC[NH+](CC)Cc1cccc(N)c1 5311610 167170361 /nfs/dbraw/zinc/17/03/61/167170361.db2.gz VGVXOXSRINSIFO-UHFFFAOYSA-N 1 0 178.279 2.111 50 0 in-vitro AEAARO CC[NH+](CC)Cc1ccccc1N 6677800 167170932 /nfs/dbraw/zinc/17/09/32/167170932.db2.gz XUNNOCZTJBRTEX-UHFFFAOYSA-N 1 0 178.279 2.111 50 0 in-vitro AEAARO CC[NH+](CC)Cc1cccc(O)c1 62183981 167170944 /nfs/dbraw/zinc/17/09/44/167170944.db2.gz ORYMNFIEKDSDEM-UHFFFAOYSA-N 1 0 179.263 2.234 50 0 AEAARO CC[NH+](CC)C[C@H](O)c1ccccc1 399981 167171354 /nfs/dbraw/zinc/17/13/54/167171354.db2.gz YTVTUNSBFXBFQJ-LBPRGKRZSA-N 1 0 193.290 2.062 50 0 AEAARO CC[NH+](CC)c1ccc(N)cc1C 34283618 167172071 /nfs/dbraw/zinc/17/20/71/167172071.db2.gz NXVHEHXRZVQDCR-UHFFFAOYSA-N 1 0 178.279 2.423 50 0 AEAARO CCN(CC)[C@H](C[NH3+])c1ccsc1 22173553 167173244 /nfs/dbraw/zinc/17/32/44/167173244.db2.gz LMACEHBBGMXZMU-SNVBAGLBSA-N 1 0 198.335 2.090 50 0 AEAARO CCN(CC)[C@H](C[NH3+])c1cccs1 19795689 167173361 /nfs/dbraw/zinc/17/33/61/167173361.db2.gz BXFPJJOOGWGYJZ-SECBINFHSA-N 1 0 198.335 2.090 50 0 AEAARO CCN(CC)c1ccc(CC[NH3+])cc1 11755872 167173427 /nfs/dbraw/zinc/17/34/27/167173427.db2.gz CVTJQHIPOJCVSQ-UHFFFAOYSA-N 1 0 192.306 2.034 50 0 AEAARO CC[NH+](CC)c1ccc(N)c(C)c1 56876 167173871 /nfs/dbraw/zinc/17/38/71/167173871.db2.gz XBTWVJKPQPQTDW-UHFFFAOYSA-N 1 0 178.279 2.423 50 0 in-vitro AEAARO CC[NH+](CC)[C@H](CN)c1ccccc1 95483746 167173892 /nfs/dbraw/zinc/17/38/92/167173892.db2.gz ZXCVEIVPQIPKIO-GFCCVEGCSA-N 1 0 192.306 2.028 50 0 AEAARO CC[NH+](CC)[Si](C)(C)C 169743035 167174427 /nfs/dbraw/zinc/17/44/27/167174427.db2.gz JOOMLFKONHCLCJ-UHFFFAOYSA-N 1 0 145.322 2.163 50 0 in-vitro AEAARO CCN(CCC[NH3+])c1cccc(C)c1 9280469 167179816 /nfs/dbraw/zinc/17/98/16/167179816.db2.gz FQTHZXGQNYXAQV-UHFFFAOYSA-N 1 0 192.306 2.170 50 0 AEAARO CC[N@H+](CCOC)Cc1ccccc1 48374229 167186995 /nfs/dbraw/zinc/18/69/95/167186995.db2.gz ZINRDSIWJCSTBA-UHFFFAOYSA-N 1 0 193.290 2.155 50 0 AEAARO CC[N@H+](CCOC)C1CCCCC1 58166920 167188782 /nfs/dbraw/zinc/18/87/82/167188782.db2.gz YEOPYIVQDOQBGU-UHFFFAOYSA-N 1 0 185.311 2.287 50 0 AEAARO CC[N@@H+]1CCC[C@H]1c1cccnc1 5422400 167206531 /nfs/dbraw/zinc/20/65/31/167206531.db2.gz VXSLBTSUIZUVFX-NSHDSACASA-N 1 0 176.263 2.238 50 0 in-vitro AEAARO CC[N@@H+]1CCC[C@@H]1c1cccnc1 6711368 167210053 /nfs/dbraw/zinc/21/00/53/167210053.db2.gz VXSLBTSUIZUVFX-LLVKDONJSA-N 1 0 176.263 2.238 50 0 in-vitro AEAARO CC[N@@H+]1CC[C@@H](c2ccccc2)C1 34530005 167220013 /nfs/dbraw/zinc/22/00/13/167220013.db2.gz XUCZDTFVTCPVRK-GFCCVEGCSA-N 1 0 175.275 2.496 50 0 AEAARO CC[N@@H+]1CC[C@H](c2ccccc2)C1 34530003 167222967 /nfs/dbraw/zinc/22/29/67/167222967.db2.gz XUCZDTFVTCPVRK-LBPRGKRZSA-N 1 0 175.275 2.496 50 0 AEAARO CC[N@@H+]1CCc2ccccc2C1 1646690 167225294 /nfs/dbraw/zinc/22/52/94/167225294.db2.gz VFCWGXGWQPTGNQ-UHFFFAOYSA-N 1 0 161.248 2.065 50 0 AEAARO CC[NH+]1Cc2ccccc2C1 1251523 167228298 /nfs/dbraw/zinc/22/82/98/167228298.db2.gz VDSWVUIJCBCRCQ-UHFFFAOYSA-N 1 0 147.221 2.022 50 0 AEAARO CCNC(=[NH2+])Nc1cccc(C)c1C 52069754 167230102 /nfs/dbraw/zinc/23/01/02/167230102.db2.gz HRYCJMFSGJIGNQ-UHFFFAOYSA-N 1 0 191.278 2.260 50 0 AEAARO CC[NH2+]C/C=C/c1ccccc1 8227090 167255798 /nfs/dbraw/zinc/25/57/98/167255798.db2.gz DIMUXHUOCLCTEV-RMKNXTFCSA-N 1 0 161.248 2.309 50 0 in-vitro AEAARO CC[NH2+]C1C2CC3CC(C2)CC1C3 5125595 167257359 /nfs/dbraw/zinc/25/73/59/167257359.db2.gz LBUOWFRNFOQBRE-UHFFFAOYSA-N 1 0 179.307 2.421 50 0 in-vitro AEAARO CC[NH2+]C1CCCCCC1 15635680 167257803 /nfs/dbraw/zinc/25/78/03/167257803.db2.gz VFPQRGMSTSEZFW-UHFFFAOYSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO CC[NH2+]C1(C)CCCCC1 45042477 167259829 /nfs/dbraw/zinc/25/98/29/167259829.db2.gz GJOFAIXOPRVVNI-UHFFFAOYSA-N 1 0 141.258 2.319 50 0 AEAARO CC[NH2+]CC(CC)CC 19502224 167262617 /nfs/dbraw/zinc/26/26/17/167262617.db2.gz NXFDPMAUXFRFLK-UHFFFAOYSA-N 1 0 129.247 2.032 50 0 in-vitro AEAARO CC[NH2+]CCC[N@H+](C)C1CCCCC1 19736983 167262647 /nfs/dbraw/zinc/26/26/47/167262647.db2.gz RUTCQQXZNLCDRZ-UHFFFAOYSA-N 1 0 198.354 2.251 50 0 AEAARO CC[NH2+]CCCOCc1ccccc1 49900765 167262826 /nfs/dbraw/zinc/26/28/26/167262826.db2.gz TZCAGFQTYLIKOH-UHFFFAOYSA-N 1 0 193.290 2.203 50 0 AEAARO CC[NH2+]CCC1=CCCCC1 4698852 167263037 /nfs/dbraw/zinc/26/30/37/167263037.db2.gz JAROGWBXHJVFDP-UHFFFAOYSA-N 1 0 153.269 2.486 50 0 AEAARO CC[NH2+]CC1CCCCC1 10474762 167263781 /nfs/dbraw/zinc/26/37/81/167263781.db2.gz XQWSLHIYGMOJHI-UHFFFAOYSA-N 1 0 141.258 2.176 50 0 AEAARO CC[NH2+]CCOc1c(C)cccc1C 19094351 167264582 /nfs/dbraw/zinc/26/45/82/167264582.db2.gz WKYDJFOMCBXQBE-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 AEAARO CC[NH2+]CCOc1ccc(Cl)cc1 19094286 167265457 /nfs/dbraw/zinc/26/54/57/167265457.db2.gz INHPFDQLWFMHON-UHFFFAOYSA-N 1 0 199.681 2.328 50 0 AEAARO CC[NH2+]CCOc1cc(C)ccc1C 19094327 167265623 /nfs/dbraw/zinc/26/56/23/167265623.db2.gz SRPIWXXAJVWAJS-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO CC[NH2+]CCCc1ccccc1 10507715 167265642 /nfs/dbraw/zinc/26/56/42/167265642.db2.gz LKGGWEZXOKZNML-UHFFFAOYSA-N 1 0 163.264 2.229 50 0 in-vitro AEAARO CC[NH2+]CCOc1ccc(C)c(C)c1 19094288 167266076 /nfs/dbraw/zinc/26/60/76/167266076.db2.gz XIEDYTOSOIZJOR-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO CC[NH2+]CCOc1ccc(C)cc1C 19094404 167266298 /nfs/dbraw/zinc/26/62/98/167266298.db2.gz KGLVALGKKVYSMS-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO CC[NH2+]CCOc1ccc(CC)cc1 19094332 167267000 /nfs/dbraw/zinc/26/70/00/167267000.db2.gz FAMKANSHJXNUGR-UHFFFAOYSA-N 1 0 193.290 2.237 50 0 in-vitro AEAARO CC[NH2+]CCOc1cc(C)cc(C)c1 19094246 167267230 /nfs/dbraw/zinc/26/72/30/167267230.db2.gz WOUGKEOMYCTBFL-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO CC[NH2+]CCOc1ccccc1CC 19094165 167268072 /nfs/dbraw/zinc/26/80/72/167268072.db2.gz ODFYFGVITYRCIX-UHFFFAOYSA-N 1 0 193.290 2.237 50 0 in-vitro AEAARO CC[NH2+]CCc1ccc(C)cc1 36154447 167268128 /nfs/dbraw/zinc/26/81/28/167268128.db2.gz XLDYKLCNACWFKX-UHFFFAOYSA-N 1 0 163.264 2.147 50 0 AEAARO CC[NH2+]CCOc1cccc(Cl)c1 19094294 167268146 /nfs/dbraw/zinc/26/81/46/167268146.db2.gz BTMVOFNZKPQLOV-UHFFFAOYSA-N 1 0 199.681 2.328 50 0 AEAARO CC[NH2+]C[C@@H](C)c1ccccc1 2599327 167268638 /nfs/dbraw/zinc/26/86/38/167268638.db2.gz YRJYTEMOKSUBHJ-SNVBAGLBSA-N 1 0 163.264 2.400 50 0 AEAARO CC[NH2+]CCSc1ccccc1 19094169 167269180 /nfs/dbraw/zinc/26/91/80/167269180.db2.gz QBQYJYJDFQESIB-UHFFFAOYSA-N 1 0 181.304 2.388 50 0 in-vitro AEAARO CC[NH2+]CCOc1cccc(C)c1C 19094325 167269243 /nfs/dbraw/zinc/26/92/43/167269243.db2.gz YBMHZVMSCMQBLE-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO CC[NH2+]CCOc1cccc(CC)c1 19094279 167269575 /nfs/dbraw/zinc/26/95/75/167269575.db2.gz XPKLEBVBELURRY-UHFFFAOYSA-N 1 0 193.290 2.237 50 0 in-vitro AEAARO CC[NH2+]CCOc1ccccc1Cl 19094353 167270424 /nfs/dbraw/zinc/27/04/24/167270424.db2.gz DMNHCBIQCGIMJS-UHFFFAOYSA-N 1 0 199.681 2.328 50 0 in-vitro AEAARO CC[NH2+]CCc1ccc(Cl)cc1 11755864 167270538 /nfs/dbraw/zinc/27/05/38/167270538.db2.gz QUVTTYBFMDDFBM-UHFFFAOYSA-N 1 0 183.682 2.492 50 0 AEAARO CC[NH2+]C[C@H](C)c1ccccc1 10474754 167272125 /nfs/dbraw/zinc/27/21/25/167272125.db2.gz YRJYTEMOKSUBHJ-JTQLQIEISA-N 1 0 163.264 2.400 50 0 AEAARO CC[NH2+]Cc1cc(Cl)ccc1OC 7524098 167273381 /nfs/dbraw/zinc/27/33/81/167273381.db2.gz ZCWVRBTXKWLARD-UHFFFAOYSA-N 1 0 199.681 2.458 50 0 AEAARO CC[NH2+]Cc1c(F)cccc1F 19485931 167273406 /nfs/dbraw/zinc/27/34/06/167273406.db2.gz OZMQDJXVZMXMAG-UHFFFAOYSA-N 1 0 171.190 2.074 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc(C)cc1 2563414 167273501 /nfs/dbraw/zinc/27/35/01/167273501.db2.gz RQMKHMUNQWEHDI-UHFFFAOYSA-N 1 0 149.237 2.105 50 0 in-vitro AEAARO CC[NH2+]Cc1c[nH]c2ccccc12 48408775 167273569 /nfs/dbraw/zinc/27/35/69/167273569.db2.gz GCRIGFSHNKTTHN-UHFFFAOYSA-N 1 0 174.247 2.277 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc2[nH]ccc2c1 15424224 167273950 /nfs/dbraw/zinc/27/39/50/167273950.db2.gz MMFJXQBVMPJAPO-UHFFFAOYSA-N 1 0 174.247 2.277 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc(Cl)cc1 11755867 167274057 /nfs/dbraw/zinc/27/40/57/167274057.db2.gz DWQGKMSNZGJKJS-UHFFFAOYSA-N 1 0 169.655 2.450 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc(C)c(C)c1 36923337 167274367 /nfs/dbraw/zinc/27/43/67/167274367.db2.gz JTHLCDILGMWAOG-UHFFFAOYSA-N 1 0 163.264 2.413 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc(F)cc1F 19503529 167274773 /nfs/dbraw/zinc/27/47/73/167274773.db2.gz YHKTVVQXLSORQR-UHFFFAOYSA-N 1 0 171.190 2.074 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc(CC)cc1 8337958 167274786 /nfs/dbraw/zinc/27/47/86/167274786.db2.gz QBYGBJWEJFPUOV-UHFFFAOYSA-N 1 0 163.264 2.359 50 0 AEAARO CC[NH2+]Cc1cc(C)c(OC)c(C)c1 34656856 167275011 /nfs/dbraw/zinc/27/50/11/167275011.db2.gz GIEQYTUXXANXPK-UHFFFAOYSA-N 1 0 193.290 2.422 50 0 AEAARO CC[NH2+]Cc1cc(F)ccc1F 36947817 167275130 /nfs/dbraw/zinc/27/51/30/167275130.db2.gz JZHBSKFEBVCESD-UHFFFAOYSA-N 1 0 171.190 2.074 50 0 AEAARO CC[NH2+]Cc1ccc(F)c(F)c1 19424659 167275222 /nfs/dbraw/zinc/27/52/22/167275222.db2.gz PNIXDBFGGJQWOL-UHFFFAOYSA-N 1 0 171.190 2.074 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc(OC)c(Cl)c1 20927945 167275481 /nfs/dbraw/zinc/27/54/81/167275481.db2.gz SDTZESSXUMHSJN-UHFFFAOYSA-N 1 0 199.681 2.458 50 0 AEAARO CC[NH2+]Cc1ccc(OCC)cc1 8227279 167275847 /nfs/dbraw/zinc/27/58/47/167275847.db2.gz ZRJMCZBHGAQCET-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 AEAARO CC[NH2+]Cc1ccccc1OCC 8227314 167276316 /nfs/dbraw/zinc/27/63/16/167276316.db2.gz QKWSPHNCLTZVOR-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc2ncccc2c1 20248025 167276477 /nfs/dbraw/zinc/27/64/77/167276477.db2.gz LOXNOVSYOJDZIC-UHFFFAOYSA-N 1 0 186.258 2.344 50 0 AEAARO CC[NH2+]Cc1cccc2[nH]ccc12 15423548 167276525 /nfs/dbraw/zinc/27/65/25/167276525.db2.gz HIBJZFFYONQAOO-UHFFFAOYSA-N 1 0 174.247 2.277 50 0 in-vitro AEAARO CC[NH2+]Cc1cccc(F)c1F 35054675 167276562 /nfs/dbraw/zinc/27/65/62/167276562.db2.gz NGXWXGQLUPFRHH-UHFFFAOYSA-N 1 0 171.190 2.074 50 0 in-vitro AEAARO CC[NH2+]Cc1cccc(OCC)c1 8227300 167276618 /nfs/dbraw/zinc/27/66/18/167276618.db2.gz ZGJRRQRYJFIJRX-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 AEAARO CC[NH2+]Cc1ccc2cc[nH]c2c1 45206699 167276761 /nfs/dbraw/zinc/27/67/61/167276761.db2.gz BZIPHVJWURTBQU-UHFFFAOYSA-N 1 0 174.247 2.277 50 0 AEAARO CC[NH2+]Cc1cccc2cnccc12 20412676 167276882 /nfs/dbraw/zinc/27/68/82/167276882.db2.gz MFEDNLUPRNCVEH-UHFFFAOYSA-N 1 0 186.258 2.344 50 0 AEAARO CC[NH2+]Cc1ccccc1C 2563412 167276945 /nfs/dbraw/zinc/27/69/45/167276945.db2.gz YEVMVRWHADCOSX-UHFFFAOYSA-N 1 0 149.237 2.105 50 0 in-vitro AEAARO CC[NH2+]Cc1cccc2cccnc12 20084514 167277247 /nfs/dbraw/zinc/27/72/47/167277247.db2.gz DPOGJBCGXUNDNM-UHFFFAOYSA-N 1 0 186.258 2.344 50 0 AEAARO CC[NH2+]Cc1cccc(C)c1 2563413 167277364 /nfs/dbraw/zinc/27/73/64/167277364.db2.gz AHSNAOOBNGLDJW-UHFFFAOYSA-N 1 0 149.237 2.105 50 0 in-vitro AEAARO CC[NH2+]Cc1cccc(Cl)c1 2507460 167277795 /nfs/dbraw/zinc/27/77/95/167277795.db2.gz KHDVRWXQCOMYKQ-UHFFFAOYSA-N 1 0 169.655 2.450 50 0 in-vitro AEAARO CC[NH2+]Cc1nc2ccccc2s1 20136284 167278186 /nfs/dbraw/zinc/27/81/86/167278186.db2.gz OUUTVQZXUGRAFE-UHFFFAOYSA-N 1 0 192.287 2.406 50 0 AEAARO CC[NH2+]Cc1ccccc1Cl 8227313 167278405 /nfs/dbraw/zinc/27/84/05/167278405.db2.gz QWMNTOVGKJAROU-UHFFFAOYSA-N 1 0 169.655 2.450 50 0 in-vitro AEAARO CC[NH2+]Cc1ccc2ccccc2n1 20246155 167278410 /nfs/dbraw/zinc/27/84/10/167278410.db2.gz TUVXQSIEJCHGFW-UHFFFAOYSA-N 1 0 186.258 2.344 50 0 in-vitro AEAARO CC[NH2+]Cc1cccc2ncccc12 20412675 167278729 /nfs/dbraw/zinc/27/87/29/167278729.db2.gz KHSJNCURPOGJTR-UHFFFAOYSA-N 1 0 186.258 2.344 50 0 AEAARO CC[NH2+][C@@H](C)C(=O)c1ccc(C)cc1 41608270 167280870 /nfs/dbraw/zinc/28/08/70/167280870.db2.gz ZOXZWYWOECCBSH-JTQLQIEISA-N 1 0 191.274 2.176 50 0 in-vitro AEAARO CC[NH2+][C@@H](C)c1cccc(OC)c1 19476442 167283140 /nfs/dbraw/zinc/28/31/40/167283140.db2.gz YJMLYZPWDDIIIM-VIFPVBQESA-N 1 0 179.263 2.366 50 0 AEAARO CC[NH2+][C@@H](C)c1cccc(O)c1 19476232 167283401 /nfs/dbraw/zinc/28/34/01/167283401.db2.gz NTFSLRLKYHBFPY-QMMMGPOBSA-N 1 0 165.236 2.063 50 0 in-vitro AEAARO CC[NH2+][C@@H](C)Cc1cccc(F)c1 37992897 167283667 /nfs/dbraw/zinc/28/36/67/167283667.db2.gz CKPWHLGHHXSVJI-VIFPVBQESA-N 1 0 181.254 2.366 50 0 AEAARO CC[NH2+][C@@H](C)Cc1ccc(F)cc1 37467904 167283758 /nfs/dbraw/zinc/28/37/58/167283758.db2.gz PUJNOWQUPWZVER-VIFPVBQESA-N 1 0 181.254 2.366 50 0 AEAARO CC[NH2+][C@@H](C)c1ccc(OC)cc1 19442064 167283806 /nfs/dbraw/zinc/28/38/06/167283806.db2.gz NLJNVQDKFQHJCK-VIFPVBQESA-N 1 0 179.263 2.366 50 0 AEAARO CC[NH2+][C@@H](C)Cc1ccccc1F 37468692 167283839 /nfs/dbraw/zinc/28/38/39/167283839.db2.gz NIWYLNFSJJLYHU-VIFPVBQESA-N 1 0 181.254 2.366 50 0 AEAARO CC[NH2+][C@@H](C)c1ccccc1 4549913 167283859 /nfs/dbraw/zinc/28/38/59/167283859.db2.gz GJKPTDGTWOVONJ-VIFPVBQESA-N 1 0 149.237 2.357 50 0 in-vitro AEAARO CC[NH2+][C@@H](C)c1ccc(F)cc1 19471828 167284316 /nfs/dbraw/zinc/28/43/16/167284316.db2.gz BENUOBWNUKJFTR-QMMMGPOBSA-N 1 0 167.227 2.496 50 0 in-vitro AEAARO CC[NH2+][C@@H](C)c1sc(C)nc1C 40517876 167284398 /nfs/dbraw/zinc/28/43/98/167284398.db2.gz WFQKQSHAXAGPGF-LURJTMIESA-N 1 0 184.308 2.430 50 0 AEAARO CC[NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1 69939722 167285117 /nfs/dbraw/zinc/28/51/17/167285117.db2.gz AQJDADTYOSUEIK-JQWIXIFHSA-N 1 0 193.290 2.026 50 0 in-vitro AEAARO CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 2528038 167285244 /nfs/dbraw/zinc/28/52/44/167285244.db2.gz USBWBBAUWVUJLA-JTQLQIEISA-N 1 0 193.290 2.236 50 0 in-vitro AEAARO CC[NH2+][C@@H](C)Cc1ccccc1 1481840 167285531 /nfs/dbraw/zinc/28/55/31/167285531.db2.gz YAGBSNMZQKEFCO-JTQLQIEISA-N 1 0 163.264 2.227 50 0 in-man AEAARO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1 69939724 167285612 /nfs/dbraw/zinc/28/56/12/167285612.db2.gz AQJDADTYOSUEIK-CMPLNLGQSA-N 1 0 193.290 2.026 50 0 AEAARO CC[NH2+][C@@H](C)Cc1ccsc1 38131091 167285747 /nfs/dbraw/zinc/28/57/47/167285747.db2.gz LQLIDJMRHPTFRR-QMMMGPOBSA-N 1 0 169.293 2.289 50 0 in-vitro AEAARO CC[NH2+][C@@H](c1cccnc1)C(C)C 37467561 167287139 /nfs/dbraw/zinc/28/71/39/167287139.db2.gz HRQKFYCBEGUAMO-LLVKDONJSA-N 1 0 178.279 2.388 50 0 in-vitro AEAARO CC[NH2+][C@@H](CC)c1ccncc1 37467642 167287801 /nfs/dbraw/zinc/28/78/01/167287801.db2.gz AMLONKVNYUAMSB-JTQLQIEISA-N 1 0 164.252 2.142 50 0 in-vitro AEAARO CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 238852883 167289865 /nfs/dbraw/zinc/28/98/65/167289865.db2.gz HPWAWIARLCZKBB-OPRDCNLKSA-N 1 0 155.285 2.421 50 0 AEAARO CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 19963353 167290633 /nfs/dbraw/zinc/29/06/33/167290633.db2.gz HPWAWIARLCZKBB-KXUCPTDWSA-N 1 0 155.285 2.421 50 0 AEAARO CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 238852882 167290665 /nfs/dbraw/zinc/29/06/65/167290665.db2.gz HPWAWIARLCZKBB-IVZWLZJFSA-N 1 0 155.285 2.421 50 0 AEAARO CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 19963355 167291106 /nfs/dbraw/zinc/29/11/06/167291106.db2.gz HPWAWIARLCZKBB-LPEHRKFASA-N 1 0 155.285 2.421 50 0 AEAARO CC[NH2+][C@@H]1CCCC[C@H]1C 19479334 167291175 /nfs/dbraw/zinc/29/11/75/167291175.db2.gz UCFBHIZLPWZXBO-RKDXNWHRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[NH2+][C@@H]1CCCC[C@@H]1C 19479331 167291241 /nfs/dbraw/zinc/29/12/41/167291241.db2.gz UCFBHIZLPWZXBO-DTWKUNHWSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[NH2+][C@@H]1CCc2ccccc21 19479227 167291633 /nfs/dbraw/zinc/29/16/33/167291633.db2.gz XUVBIVWKEVAUBX-LLVKDONJSA-N 1 0 161.248 2.283 50 0 in-vitro AEAARO CC[NH2+][C@@H]1CCCc2cccnc21 83824138 167292278 /nfs/dbraw/zinc/29/22/78/167292278.db2.gz NKBKRVWPGIIUGY-SNVBAGLBSA-N 1 0 176.263 2.069 50 0 in-vitro AEAARO CC[NH2+][C@H](C)Cc1ccc(F)cc1 37467906 167295926 /nfs/dbraw/zinc/29/59/26/167295926.db2.gz PUJNOWQUPWZVER-SECBINFHSA-N 1 0 181.254 2.366 50 0 AEAARO CC[NH2+][C@H](C)Cc1ccccc1 2040587 167296124 /nfs/dbraw/zinc/29/61/24/167296124.db2.gz YAGBSNMZQKEFCO-SNVBAGLBSA-N 1 0 163.264 2.227 50 0 in-man AEAARO CC[NH2+][C@H](C)c1ccc(F)cc1 19471830 167296161 /nfs/dbraw/zinc/29/61/61/167296161.db2.gz BENUOBWNUKJFTR-MRVPVSSYSA-N 1 0 167.227 2.496 50 0 in-vitro AEAARO CC[NH2+][C@H](C)Cc1ccccc1F 37468694 167296214 /nfs/dbraw/zinc/29/62/14/167296214.db2.gz NIWYLNFSJJLYHU-SECBINFHSA-N 1 0 181.254 2.366 50 0 AEAARO CC[NH2+][C@H](C)Cc1cccc(F)c1 37992898 167296378 /nfs/dbraw/zinc/29/63/78/167296378.db2.gz CKPWHLGHHXSVJI-SECBINFHSA-N 1 0 181.254 2.366 50 0 AEAARO CC[NH2+][C@H](C)c1ccc(OC)cc1 19442066 167296529 /nfs/dbraw/zinc/29/65/29/167296529.db2.gz NLJNVQDKFQHJCK-SECBINFHSA-N 1 0 179.263 2.366 50 0 AEAARO CC[NH2+][C@H](C)Cc1ccsc1 38131092 167296609 /nfs/dbraw/zinc/29/66/09/167296609.db2.gz LQLIDJMRHPTFRR-MRVPVSSYSA-N 1 0 169.293 2.289 50 0 in-vitro AEAARO CC[NH2+][C@H](C)Cc1ccc(OC)cc1 3643230 167296813 /nfs/dbraw/zinc/29/68/13/167296813.db2.gz USBWBBAUWVUJLA-SNVBAGLBSA-N 1 0 193.290 2.236 50 0 in-vitro AEAARO CC[NH2+][C@H](C)[C@H](O)c1ccc(C)cc1 69939723 167296884 /nfs/dbraw/zinc/29/68/84/167296884.db2.gz AQJDADTYOSUEIK-PWSUYJOCSA-N 1 0 193.290 2.026 50 0 in-vitro AEAARO CC[NH2+][C@H](C)C(=O)c1ccc(C)cc1 41608272 167297097 /nfs/dbraw/zinc/29/70/97/167297097.db2.gz ZOXZWYWOECCBSH-SNVBAGLBSA-N 1 0 191.274 2.176 50 0 in-vitro AEAARO CC[NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1 69939725 167297175 /nfs/dbraw/zinc/29/71/75/167297175.db2.gz AQJDADTYOSUEIK-ZYHUDNBSSA-N 1 0 193.290 2.026 50 0 AEAARO CC[NH2+][C@H](C)c1cccc(O)c1 19476234 167298464 /nfs/dbraw/zinc/29/84/64/167298464.db2.gz NTFSLRLKYHBFPY-MRVPVSSYSA-N 1 0 165.236 2.063 50 0 in-vitro AEAARO CC[NH2+][C@H](CC)c1ccncc1 37467644 167299301 /nfs/dbraw/zinc/29/93/01/167299301.db2.gz AMLONKVNYUAMSB-SNVBAGLBSA-N 1 0 164.252 2.142 50 0 in-vitro AEAARO CC[NH2+][C@H](C)c1ccccc1 4549915 167299504 /nfs/dbraw/zinc/29/95/04/167299504.db2.gz GJKPTDGTWOVONJ-SECBINFHSA-N 1 0 149.237 2.357 50 0 in-vitro AEAARO CC[NH2+][C@H](C)c1sc(C)nc1C 40517877 167299724 /nfs/dbraw/zinc/29/97/24/167299724.db2.gz WFQKQSHAXAGPGF-ZCFIWIBFSA-N 1 0 184.308 2.430 50 0 AEAARO CC[NH2+][C@H](C)c1cccc(OC)c1 19476444 167299960 /nfs/dbraw/zinc/29/99/60/167299960.db2.gz YJMLYZPWDDIIIM-SECBINFHSA-N 1 0 179.263 2.366 50 0 AEAARO CC[NH2+][C@H](c1cccnc1)C(C)C 37467563 167301237 /nfs/dbraw/zinc/30/12/37/167301237.db2.gz HRQKFYCBEGUAMO-NSHDSACASA-N 1 0 178.279 2.388 50 0 in-vitro AEAARO CC[NH2+][C@H]1CCCC[C@@H]1C 19479333 167301992 /nfs/dbraw/zinc/30/19/92/167301992.db2.gz UCFBHIZLPWZXBO-IUCAKERBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[NH2+][C@H]1CCCC[C@H]1C 19479336 167302012 /nfs/dbraw/zinc/30/20/12/167302012.db2.gz UCFBHIZLPWZXBO-BDAKNGLRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[NH2+][C@H]1CCCc2cccnc21 83824139 167302295 /nfs/dbraw/zinc/30/22/95/167302295.db2.gz NKBKRVWPGIIUGY-JTQLQIEISA-N 1 0 176.263 2.069 50 0 in-vitro AEAARO CC[NH2+][C@H]1CCc2ccccc21 19479229 167305340 /nfs/dbraw/zinc/30/53/40/167305340.db2.gz XUVBIVWKEVAUBX-NSHDSACASA-N 1 0 161.248 2.283 50 0 in-vitro AEAARO CCOCCC[NH2+]Cc1cccs1 8253215 167384887 /nfs/dbraw/zinc/38/48/87/167384887.db2.gz ISFASQCAVWTJDT-UHFFFAOYSA-N 1 0 199.319 2.264 50 0 AEAARO CCOCCC[NH2+]Cc1ccc(C)o1 19962859 167385594 /nfs/dbraw/zinc/38/55/94/167385594.db2.gz YYFSXKPTMUCPHZ-UHFFFAOYSA-N 1 0 197.278 2.104 50 0 AEAARO CCOCCC[NH2+]Cc1ccccc1 8253211 167386800 /nfs/dbraw/zinc/38/68/00/167386800.db2.gz CWBXZCGVPZNEIF-UHFFFAOYSA-N 1 0 193.290 2.203 50 0 AEAARO CCOCC[NH2+][C@@H](C)[C@H](C)CC 36228318 167387294 /nfs/dbraw/zinc/38/72/94/167387294.db2.gz GCCLZTSNJSKUKK-ZJUUUORDSA-N 1 0 173.300 2.047 50 0 AEAARO CCOCC[NH2+][C@@H](C)c1ccccc1 35098174 167387858 /nfs/dbraw/zinc/38/78/58/167387858.db2.gz MDUMNISADGERPK-NSHDSACASA-N 1 0 193.290 2.374 50 0 AEAARO CCOCC[NH2+][C@@H](C)[C@@H](C)CC 36228320 167387923 /nfs/dbraw/zinc/38/79/23/167387923.db2.gz GCCLZTSNJSKUKK-UWVGGRQHSA-N 1 0 173.300 2.047 50 0 AEAARO CCOCC[NH2+]C1[C@@H](C)CCC[C@@H]1C 36228667 167388003 /nfs/dbraw/zinc/38/80/03/167388003.db2.gz MXPWOKYGOYRKNF-QWRGUYRKSA-N 1 0 199.338 2.437 50 0 AEAARO CCOCC[NH2+]Cc1cccc(C)c1 36228625 167388244 /nfs/dbraw/zinc/38/82/44/167388244.db2.gz CYWMCWKBVSUXFF-UHFFFAOYSA-N 1 0 193.290 2.121 50 0 AEAARO CCOCC[NH2+][C@@H](C)c1ccc(C)o1 35151432 167388783 /nfs/dbraw/zinc/38/87/83/167388783.db2.gz YHDSVTJMAZVEJZ-JTQLQIEISA-N 1 0 197.278 2.275 50 0 AEAARO CCOCC[NH2+]Cc1ccccc1C 35151321 167389065 /nfs/dbraw/zinc/38/90/65/167389065.db2.gz ISXGCJAMTYBNEZ-UHFFFAOYSA-N 1 0 193.290 2.121 50 0 AEAARO CCOCC[NH2+]C1CCC(C)CC1 35098282 167389099 /nfs/dbraw/zinc/38/90/99/167389099.db2.gz CGXNICXSPIHZIE-UHFFFAOYSA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+]C1CCCCCC1 35098234 167389999 /nfs/dbraw/zinc/38/99/99/167389999.db2.gz GFJTVTROQJOUPE-UHFFFAOYSA-N 1 0 185.311 2.335 50 0 AEAARO CCOCC[NH2+]Cc1ccc(C)cc1 35098277 167390087 /nfs/dbraw/zinc/39/00/87/167390087.db2.gz KAYSROMZQHKGBN-UHFFFAOYSA-N 1 0 193.290 2.121 50 0 AEAARO CCOCC[NH2+]C1[C@H](C)CCC[C@H]1C 36228671 167390571 /nfs/dbraw/zinc/39/05/71/167390571.db2.gz MXPWOKYGOYRKNF-GHMZBOCLSA-N 1 0 199.338 2.437 50 0 AEAARO CCOCC[NH2+][C@@H]1CCCC[C@H]1C 35098273 167390932 /nfs/dbraw/zinc/39/09/32/167390932.db2.gz CRWGJOOJJNFSOM-GHMZBOCLSA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@H]1CCC[C@@H](C)C1 35358960 167391056 /nfs/dbraw/zinc/39/10/56/167391056.db2.gz BGNNRSIHQVGDQK-MNOVXSKESA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@H]1CCCC[C@@H]1C 35098272 167391318 /nfs/dbraw/zinc/39/13/18/167391318.db2.gz CRWGJOOJJNFSOM-QWRGUYRKSA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@@H]1CCC[C@@H](C)C1 35358959 167392124 /nfs/dbraw/zinc/39/21/24/167392124.db2.gz BGNNRSIHQVGDQK-GHMZBOCLSA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@@H]1CCC[C@H](C)C1 35358957 167392181 /nfs/dbraw/zinc/39/21/81/167392181.db2.gz BGNNRSIHQVGDQK-WDEREUQCSA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@@H]1CCCC[C@@H]1C 35098270 167392285 /nfs/dbraw/zinc/39/22/85/167392285.db2.gz CRWGJOOJJNFSOM-WDEREUQCSA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@H](C)[C@H](C)CC 36228312 167392468 /nfs/dbraw/zinc/39/24/68/167392468.db2.gz GCCLZTSNJSKUKK-NXEZZACHSA-N 1 0 173.300 2.047 50 0 AEAARO CCOCC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 238854219 167392553 /nfs/dbraw/zinc/39/25/53/167392553.db2.gz MXPWOKYGOYRKNF-GDNZZTSVSA-N 1 0 199.338 2.437 50 0 AEAARO CCOCC[NH2+][C@H](C)[C@@H](C)CC 36228315 167392667 /nfs/dbraw/zinc/39/26/67/167392667.db2.gz GCCLZTSNJSKUKK-VHSXEESVSA-N 1 0 173.300 2.047 50 0 AEAARO CCOCC[NH2+][C@H]1CCCC[C@H]1C 35098275 167392714 /nfs/dbraw/zinc/39/27/14/167392714.db2.gz CRWGJOOJJNFSOM-MNOVXSKESA-N 1 0 185.311 2.191 50 0 AEAARO CCOCC[NH2+][C@@H](C)c1cccs1 35141789 167392845 /nfs/dbraw/zinc/39/28/45/167392845.db2.gz JDGOGDJQHVSFEI-VIFPVBQESA-N 1 0 199.319 2.435 50 0 AEAARO CCOCC[NH2+][C@H]1CCC[C@H](C)C1 35358958 167392941 /nfs/dbraw/zinc/39/29/41/167392941.db2.gz BGNNRSIHQVGDQK-QWRGUYRKSA-N 1 0 185.311 2.191 50 0 AEAARO CCO[C@@H]1C[C@@H]([NH3+])C12CCCCC2 71373242 167404649 /nfs/dbraw/zinc/40/46/49/167404649.db2.gz OGVVHXLZVGXJML-NXEZZACHSA-N 1 0 183.295 2.073 50 0 in-vitro AEAARO CCO[C@H]1C[C@@H]([NH2+]C)C1(CC)CC 72302615 167408988 /nfs/dbraw/zinc/40/89/88/167408988.db2.gz OBFBZFQVRPRNHC-ZJUUUORDSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCO[C@H]1C[C@H]([NH3+])C12CCCCC2 71373241 167409923 /nfs/dbraw/zinc/40/99/23/167409923.db2.gz OGVVHXLZVGXJML-UWVGGRQHSA-N 1 0 183.295 2.073 50 0 in-vitro AEAARO CCOc1ccc(Cl)cc1CC[NH3+] 11957950 167416261 /nfs/dbraw/zinc/41/62/61/167416261.db2.gz RFGXZKPIGJTVNC-UHFFFAOYSA-N 1 0 199.681 2.240 50 0 in-vitro AEAARO CCOc1ccc(C2([NH3+])CC2)cc1 36906462 167416434 /nfs/dbraw/zinc/41/64/34/167416434.db2.gz XPDMRBWFUVKURU-UHFFFAOYSA-N 1 0 177.247 2.033 50 0 AEAARO CCOc1ccc(Cl)cc1C[NH2+]C 8324480 167417129 /nfs/dbraw/zinc/41/71/29/167417129.db2.gz FMTAKBWHCCWYDH-UHFFFAOYSA-N 1 0 199.681 2.458 50 0 in-vitro AEAARO CCOc1ccc([C@@H](C)[NH3+])cc1F 3705582 167419801 /nfs/dbraw/zinc/41/98/01/167419801.db2.gz OFDISMSWWNOGFW-SSDOTTSWSA-N 1 0 183.226 2.244 50 0 in-vitro AEAARO CCOc1ccc([C@H](C)[NH2+]C)cc1 2573239 167420166 /nfs/dbraw/zinc/42/01/66/167420166.db2.gz VRTFABGAXGIWJK-VIFPVBQESA-N 1 0 179.263 2.366 50 0 in-vitro AEAARO CCOc1ccc2c(c1)C[NH2+]CCC2 57937183 167422804 /nfs/dbraw/zinc/42/28/04/167422804.db2.gz DTINPHIRDQCPBJ-UHFFFAOYSA-N 1 0 191.274 2.121 50 0 AEAARO CCOc1cccc([C@H](C)[NH3+])c1 3705305 167423959 /nfs/dbraw/zinc/42/39/59/167423959.db2.gz YIPGPYIRKCOZJP-QMMMGPOBSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CCOc1cccc2c1CC[C@H]2[NH3+] 42405067 167424346 /nfs/dbraw/zinc/42/43/46/167424346.db2.gz VCBRVXFVRIXQFC-SNVBAGLBSA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO CCOc1cccc([C@@H](C)[NH3+])c1 3705304 167425160 /nfs/dbraw/zinc/42/51/60/167425160.db2.gz YIPGPYIRKCOZJP-MRVPVSSYSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CCOc1ccccc1[C@@H]([NH3+])CC 22213429 167427343 /nfs/dbraw/zinc/42/73/43/167427343.db2.gz LOOPRHOZPKBHTR-JTQLQIEISA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CCSc1ccc(C[NH3+])cc1 35719958 167437910 /nfs/dbraw/zinc/43/79/10/167437910.db2.gz UBUPKYLDQOUBFF-UHFFFAOYSA-N 1 0 167.277 2.257 50 0 AEAARO CCS[C@@H]1CCC[C@H]([NH3+])C1 72292130 167439042 /nfs/dbraw/zinc/43/90/42/167439042.db2.gz VOKGEDJHMODUIZ-JGVFFNPUSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CC[C@@H](C)C1CC[NH2+]CC1 62951105 167450776 /nfs/dbraw/zinc/45/07/76/167450776.db2.gz XTYXOZLBUCKGPY-MRVPVSSYSA-N 1 0 141.258 2.032 50 0 AEAARO CC[C@@H](C)C[C@H]1CC[NH2+]C1 42784157 167456969 /nfs/dbraw/zinc/45/69/69/167456969.db2.gz DYHKMQCTLRRARG-RKDXNWHRSA-N 1 0 141.258 2.032 50 0 AEAARO CC[C@@H](C)C[C@@H]1CCC[NH2+]C1 42784211 167458022 /nfs/dbraw/zinc/45/80/22/167458022.db2.gz RXLJWPBJOMNYEM-ZJUUUORDSA-N 1 0 155.285 2.422 50 0 AEAARO CC[C@@H](C)[NH2+]C1CCCC1 15686588 167473275 /nfs/dbraw/zinc/47/32/75/167473275.db2.gz AGJYCYBKHGJTMF-MRVPVSSYSA-N 1 0 141.258 2.317 50 0 in-vitro AEAARO CC[C@@H](C)[C@H]1CCCC[NH2+]1 3734452 167496499 /nfs/dbraw/zinc/49/64/99/167496499.db2.gz CGPFWODSWBWMPM-RKDXNWHRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[C@@H](C[NH3+])c1ccccc1 1598924 167511699 /nfs/dbraw/zinc/51/16/99/167511699.db2.gz PLWALTDUYKDGRF-VIFPVBQESA-N 1 0 149.237 2.139 50 0 in-vitro AEAARO CC[C@@H](COC)[NH2+]Cc1ccccc1 70623635 167516803 /nfs/dbraw/zinc/51/68/03/167516803.db2.gz VPAFNAYCPSWYKZ-LBPRGKRZSA-N 1 0 193.290 2.201 50 0 AEAARO CC[C@@H]([NH3+])Cc1ccc(C)cc1 32006237 167524352 /nfs/dbraw/zinc/52/43/52/167524352.db2.gz STYLTFHVTUCTSI-LLVKDONJSA-N 1 0 163.264 2.275 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1cc(F)cc(F)c1 8698411 167525382 /nfs/dbraw/zinc/52/53/82/167525382.db2.gz PFFDHDIEJYLKMD-SECBINFHSA-N 1 0 171.190 2.375 50 0 AEAARO CC[C@@H]([NH3+])c1ccccc1 2014818 167528230 /nfs/dbraw/zinc/52/82/30/167528230.db2.gz AQFLVLHRZFLDDV-SECBINFHSA-N 1 0 135.210 2.096 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1ccc2c(c1)C[C@H](C)O2 11729952 167529002 /nfs/dbraw/zinc/52/90/02/167529002.db2.gz ZZHKIYFEXZSVMA-GZMMTYOYSA-N 1 0 191.274 2.420 50 0 AEAARO CC[C@@H]([NH2+]C)c1ccc(F)cc1 11757537 167531470 /nfs/dbraw/zinc/53/14/70/167531470.db2.gz SORDPUKBFPOPMY-SNVBAGLBSA-N 1 0 167.227 2.496 50 0 in-vitro AEAARO CC[C@@H]([NH2+]CCOC)c1ccccc1 19881287 167532043 /nfs/dbraw/zinc/53/20/43/167532043.db2.gz OZQABAIYCBVBFU-GFCCVEGCSA-N 1 0 193.290 2.374 50 0 AEAARO CC[C@@H]1CCCC[C@@H]1[NH2+]C 42297093 167545430 /nfs/dbraw/zinc/54/54/30/167545430.db2.gz JXVOCMMENPUMMV-BDAKNGLRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[C@@H]1CCCC[C@H]1[NH2+]C 42297103 167549484 /nfs/dbraw/zinc/54/94/84/167549484.db2.gz JXVOCMMENPUMMV-RKDXNWHRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[C@@H]1[NH2+]CCc2ccccc21 5337549 167569308 /nfs/dbraw/zinc/56/93/08/167569308.db2.gz UDWVZWUSBKDYPY-NSHDSACASA-N 1 0 161.248 2.283 50 0 in-vitro AEAARO CC[C@@H]1[NH2+]Cc2ccccc21 24317780 167571667 /nfs/dbraw/zinc/57/16/67/167571667.db2.gz CNFRAFYIBYMKHI-JTQLQIEISA-N 1 0 147.221 2.241 50 0 AEAARO CC[C@@]1(C)CCC[NH2+]CC1 72284479 167581054 /nfs/dbraw/zinc/58/10/54/167581054.db2.gz QNGRDGNCWCJLJO-VIFPVBQESA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CC[C@H](C)C1CC[NH2+]CC1 62951106 167597834 /nfs/dbraw/zinc/59/78/34/167597834.db2.gz XTYXOZLBUCKGPY-QMMMGPOBSA-N 1 0 141.258 2.032 50 0 AEAARO CC[C@H](C)C[C@H]1CCC[NH2+]C1 36404145 167604116 /nfs/dbraw/zinc/60/41/16/167604116.db2.gz RXLJWPBJOMNYEM-VHSXEESVSA-N 1 0 155.285 2.422 50 0 AEAARO CC[C@H](C)C[C@H]1CC[NH2+]C1 42784158 167605066 /nfs/dbraw/zinc/60/50/66/167605066.db2.gz DYHKMQCTLRRARG-DTWKUNHWSA-N 1 0 141.258 2.032 50 0 AEAARO CC[C@H](C)Oc1ccc(C[NH3+])cc1 19092779 167623472 /nfs/dbraw/zinc/62/34/72/167623472.db2.gz VXHRYPZJJPDUDF-VIFPVBQESA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC[C@H](C[NH3+])Oc1cccc(Cl)c1 49834107 167645567 /nfs/dbraw/zinc/64/55/67/167645567.db2.gz MXTOYOWIOYMYDL-SECBINFHSA-N 1 0 199.681 2.456 50 0 in-vitro AEAARO CC[C@H](COC)[NH2+]C1CCCCC1 70623614 167646684 /nfs/dbraw/zinc/64/66/84/167646684.db2.gz FQHHKIGGWXFIPM-SNVBAGLBSA-N 1 0 185.311 2.334 50 0 AEAARO CC[C@H](COC)[NH2+]Cc1cccs1 70623750 167647406 /nfs/dbraw/zinc/64/74/06/167647406.db2.gz DUSMKIQAVAOXFS-SECBINFHSA-N 1 0 199.319 2.263 50 0 AEAARO CC[C@H]([NH3+])C1Cc2ccccc2C1 38853567 167651697 /nfs/dbraw/zinc/65/16/97/167651697.db2.gz FPLRSVLVTJHGOC-LBPRGKRZSA-N 1 0 175.275 2.139 50 0 AEAARO CC[C@H]([NH3+])CCc1ccccc1 12502755 167652251 /nfs/dbraw/zinc/65/22/51/167652251.db2.gz NLSQENXHYZSNFE-NSHDSACASA-N 1 0 163.264 2.357 50 0 in-vitro AEAARO CC[C@H]([NH3+])C1CCCCC1 34354944 167654037 /nfs/dbraw/zinc/65/40/37/167654037.db2.gz UJAHMMDIDKVNLK-VIFPVBQESA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1ccc(C)cc1 2768840 167658142 /nfs/dbraw/zinc/65/81/42/167658142.db2.gz FWTZOQCAVLMPJE-JTQLQIEISA-N 1 0 149.237 2.405 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1cc(OC)cc(OC)c1 74244373 167658996 /nfs/dbraw/zinc/65/89/96/167658996.db2.gz YWGGHZCOYWJAAO-NSHDSACASA-N 1 0 195.262 2.114 50 0 AEAARO CC[C@H]([NH3+])c1ccccc1OC 20264959 167659978 /nfs/dbraw/zinc/65/99/78/167659978.db2.gz AOUJHJAMITZHPK-VIFPVBQESA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1ccc(OC)c(OC)c1 9245938 167660017 /nfs/dbraw/zinc/66/00/17/167660017.db2.gz GOYNRRVQKKZYOW-VIFPVBQESA-N 1 0 195.262 2.114 50 0 AEAARO CC[C@H]([NH3+])c1ccccc1C 34099854 167660242 /nfs/dbraw/zinc/66/02/42/167660242.db2.gz HGENVWDJZZWESY-JTQLQIEISA-N 1 0 149.237 2.405 50 0 AEAARO CC[C@H]([NH3+])c1cccc(OC)c1 20264964 167660373 /nfs/dbraw/zinc/66/03/73/167660373.db2.gz YKOYYTCNJPJMSK-JTQLQIEISA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1nc(C)c(C)s1 11631722 167660884 /nfs/dbraw/zinc/66/08/84/167660884.db2.gz HOXJDEYOCZAXRB-ZETCQYMHSA-N 1 0 170.281 2.170 50 0 in-vitro AEAARO CC[C@H]([NH2+]C)c1ccccc1OC 1999384 167662219 /nfs/dbraw/zinc/66/22/19/167662219.db2.gz AQJWUFYHPCPVOG-JTQLQIEISA-N 1 0 179.263 2.366 50 0 in-man AEAARO CC[C@H]([NH2+]C)c1ccccc1 6002122 167663059 /nfs/dbraw/zinc/66/30/59/167663059.db2.gz YELGXBUYFOSFJM-JTQLQIEISA-N 1 0 149.237 2.357 50 0 in-vitro AEAARO CC[C@H]1CCCC[C@H]1[NH2+]C 35975575 167678796 /nfs/dbraw/zinc/67/87/96/167678796.db2.gz JXVOCMMENPUMMV-DTWKUNHWSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[C@H]1[NH2+]CCc2ccccc21 5337220 167699711 /nfs/dbraw/zinc/69/97/11/167699711.db2.gz UDWVZWUSBKDYPY-LLVKDONJSA-N 1 0 161.248 2.283 50 0 in-vitro AEAARO CC[C@H]1[NH2+]Cc2ccccc21 24317785 167700740 /nfs/dbraw/zinc/70/07/40/167700740.db2.gz CNFRAFYIBYMKHI-SNVBAGLBSA-N 1 0 147.221 2.241 50 0 AEAARO CC[C@](C)([NH3+])c1ccc(F)cc1 37415643 167705406 /nfs/dbraw/zinc/70/54/06/167705406.db2.gz LYEOJKPRBJCOTD-JTQLQIEISA-N 1 0 167.227 2.410 50 0 in-vitro AEAARO CC[C@](C)([NH3+])c1ccccc1 3136326 167706784 /nfs/dbraw/zinc/70/67/84/167706784.db2.gz XTTQGFJZEYVZAP-JTQLQIEISA-N 1 0 149.237 2.271 50 0 AEAARO CC[C@]1(C)CNc2ccccc2C[NH2+]1 86918845 167711512 /nfs/dbraw/zinc/71/15/12/167711512.db2.gz KUQHUOLKMIPODJ-GFCCVEGCSA-N 1 0 190.290 2.370 50 0 AEAARO CC[N+]1=C(C)S[C@@H]2C=CC=C[C@@H]21 4211577 167713542 /nfs/dbraw/zinc/71/35/42/167713542.db2.gz MPBBVXQANLXLCB-VHSXEESVSA-N 1 0 180.296 2.047 50 0 AEAARO CC[N+]1=C(C)S[C@@H]2C=CC=C[C@H]21 4211580 167714103 /nfs/dbraw/zinc/71/41/03/167714103.db2.gz MPBBVXQANLXLCB-NXEZZACHSA-N 1 0 180.296 2.047 50 0 AEAARO CCc1cc2c(cc1CC)CC([NH3+])C2 38409954 167731094 /nfs/dbraw/zinc/73/10/94/167731094.db2.gz KGVIJLMNQNSQHB-UHFFFAOYSA-N 1 0 189.302 2.237 50 0 in-vitro AEAARO CCc1ccc(OCCC[NH2+]C)cc1 19094204 167740451 /nfs/dbraw/zinc/74/04/51/167740451.db2.gz OWJQTSTVRNGVKH-UHFFFAOYSA-N 1 0 193.290 2.237 50 0 in-vitro AEAARO CCc1ccc([C@@H]2CCC[NH2+]2)o1 68575324 167742268 /nfs/dbraw/zinc/74/22/68/167742268.db2.gz IGFAXYMDKQJCBB-VIFPVBQESA-N 1 0 165.236 2.267 50 0 in-vitro AEAARO CCc1ccc([C@H]2CC[NH2+]C2)cc1 19785202 167744946 /nfs/dbraw/zinc/74/49/46/167744946.db2.gz MIYWEAJLZPJRJE-LBPRGKRZSA-N 1 0 175.275 2.326 50 0 in-vitro AEAARO CCc1ccc2c(c1)[C@@H]([NH3+])CCO2 11849003 167747454 /nfs/dbraw/zinc/74/74/54/167747454.db2.gz IEPIMUROQDSURV-JTQLQIEISA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO CCc1csc([C@H]2CCC[NH2+]C2)n1 11632022 167760999 /nfs/dbraw/zinc/76/09/99/167760999.db2.gz SWUGCEILUDUOHI-QMMMGPOBSA-N 1 0 196.319 2.173 50 0 in-vitro AEAARO CCc1nc2c(s1)[C@H]([NH2+]C)CCC2 50330046 167772510 /nfs/dbraw/zinc/77/25/10/167772510.db2.gz CMHADCHORCQGAC-SSDOTTSWSA-N 1 0 196.319 2.302 50 0 AEAARO CCc1nc2c(s1)[C@@H]([NH2+]C)CCC2 50330047 167774881 /nfs/dbraw/zinc/77/48/81/167774881.db2.gz CMHADCHORCQGAC-ZETCQYMHSA-N 1 0 196.319 2.302 50 0 AEAARO CCn1c(C)[n+](CC)c2ccccc21 162460 167794529 /nfs/dbraw/zinc/79/45/29/167794529.db2.gz YEQZDWAAWCZZFB-UHFFFAOYSA-N 1 0 189.282 2.277 50 0 AEAARO CCc1sc2ccccc2[n+]1C 392749 167795334 /nfs/dbraw/zinc/79/53/34/167795334.db2.gz TZTOZZCMUZYTBE-UHFFFAOYSA-N 1 0 178.280 2.288 50 0 AEAARO CCn1c(C)cc2c1CCC[C@H]2[NH3+] 41726141 167795399 /nfs/dbraw/zinc/79/53/99/167795399.db2.gz HVTJBSNOUAPBEL-SNVBAGLBSA-N 1 0 178.279 2.153 50 0 in-vitro AEAARO C[NH+](C)CC/C=C/c1cccnc1 71773196 167833327 /nfs/dbraw/zinc/83/33/27/167833327.db2.gz ZZHZSKGOOLOJFA-ZZXKWVIFSA-N 1 0 176.263 2.047 50 0 AEAARO C[NH+](C)CCCc1ccccc1 2003734 167834877 /nfs/dbraw/zinc/83/48/77/167834877.db2.gz NMXXDRKTOJAAQS-UHFFFAOYSA-N 1 0 163.264 2.181 50 0 AEAARO C[NH+](C)CCc1c[nH]c2ccccc12 897457 167840421 /nfs/dbraw/zinc/84/04/21/167840421.db2.gz DMULVCHRPCFFGV-UHFFFAOYSA-N 1 0 188.274 2.272 50 0 endogenous,in-man AEAARO C[NH+](C)Cc1c[nH]c2ccc(F)cc12 1569425 167845274 /nfs/dbraw/zinc/84/52/74/167845274.db2.gz QNCNSISRJMCGPK-UHFFFAOYSA-N 1 0 192.237 2.369 50 0 in-vitro AEAARO C[NH+](C)[C@@H]1CCC=CCCC1 4829989 167851028 /nfs/dbraw/zinc/85/10/28/167851028.db2.gz BRRJALXGYRSYAI-SNVBAGLBSA-N 1 0 153.269 2.437 50 0 AEAARO CN(C)c1cc[n+](CC(C)(C)C)cc1 2528008 167854734 /nfs/dbraw/zinc/85/47/34/167854734.db2.gz QUDKJBUXGWPZMW-UHFFFAOYSA-N 1 0 193.314 2.086 50 0 in-vitro AEAARO CN1CC[NH+]=C1CCc1cccs1 44123328 167918987 /nfs/dbraw/zinc/91/89/87/167918987.db2.gz GZTZXHCVZXTLAP-UHFFFAOYSA-N 1 0 194.303 2.025 50 0 AEAARO C[NH2+]C1[C@@H](C)CCC[C@@H]1C 22150030 167982323 /nfs/dbraw/zinc/98/23/23/167982323.db2.gz BWVAXYOVGQELNQ-YUMQZZPRSA-N 1 0 141.258 2.031 50 0 in-vitro AEAARO C[NH2+]CC(C)(C)c1ccc(C)cc1 41200042 167990001 /nfs/dbraw/zinc/99/00/01/167990001.db2.gz COOJIICPCHDRLD-UHFFFAOYSA-N 1 0 177.291 2.492 50 0 in-vitro AEAARO C[NH2+]CCC1CCCCC1 1562012 167992661 /nfs/dbraw/zinc/99/26/61/167992661.db2.gz KCYFTGSOYOWCJF-UHFFFAOYSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO C[NH2+]CCCOc1ccc(Cl)cc1 6681873 167993690 /nfs/dbraw/zinc/99/36/90/167993690.db2.gz HZMWCNCPSPAYGP-UHFFFAOYSA-N 1 0 199.681 2.328 50 0 in-vitro AEAARO C[NH2+]CCCOc1ccc(C)c(C)c1 19094303 167993819 /nfs/dbraw/zinc/99/38/19/167993819.db2.gz JASCWXRCTFBENH-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO C[NH2+]CCCOc1ccc(C)cc1C 19094283 167994159 /nfs/dbraw/zinc/99/41/59/167994159.db2.gz VZROORFVXPJNPL-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO C[NH2+]CCCOc1c(C)cccc1C 19094311 167994229 /nfs/dbraw/zinc/99/42/29/167994229.db2.gz RDQDLPIZJMQZCI-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO C[NH2+]CCCOc1cc(C)ccc1C 19094313 167994233 /nfs/dbraw/zinc/99/42/33/167994233.db2.gz BKBGKOYBQVHGMX-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO C[NH2+]CCCOc1cccc(Cl)c1 16941939 167994264 /nfs/dbraw/zinc/99/42/64/167994264.db2.gz UICVFSKWBRBFRF-UHFFFAOYSA-N 1 0 199.681 2.328 50 0 in-vitro AEAARO C[NH2+]CCOc1ccc(C)cc1Cl 19094195 167998206 /nfs/dbraw/zinc/99/82/06/167998206.db2.gz QOWIGHXLOKJSCR-UHFFFAOYSA-N 1 0 199.681 2.247 50 0 in-vitro AEAARO C[NH2+]CCc1c[nH]c2cc(F)ccc12 82588572 168000009 /nfs/dbraw/zinc/00/00/09/168000009.db2.gz KRSLLTXPGFQNNE-UHFFFAOYSA-N 1 0 192.237 2.069 50 0 AEAARO C[NH2+]CCc1ccccc1Cl 36154432 168002364 /nfs/dbraw/zinc/00/23/64/168002364.db2.gz DTJKAALGEAHUIV-UHFFFAOYSA-N 1 0 169.655 2.102 50 0 in-vitro AEAARO C[NH2+]CCc1cccc(Cl)c1 11755856 168002377 /nfs/dbraw/zinc/00/23/77/168002377.db2.gz ZAIUACXHBBABJZ-UHFFFAOYSA-N 1 0 169.655 2.102 50 0 in-vitro AEAARO C[NH2+]CCc1ccc(Cl)cc1 11755863 168002432 /nfs/dbraw/zinc/00/24/32/168002432.db2.gz VCSUCPDSYSXLEX-UHFFFAOYSA-N 1 0 169.655 2.102 50 0 in-vitro AEAARO C[NH2+]C[C@@H](C)C1CCCCC1 6036579 168003014 /nfs/dbraw/zinc/00/30/14/168003014.db2.gz AGJJTKRYTPXPGM-SECBINFHSA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO C[NH2+]C[C@@H](C)Cc1ccc(OC)cc1 52975829 168003129 /nfs/dbraw/zinc/00/31/29/168003129.db2.gz ZCJHOACFSSVEOI-JTQLQIEISA-N 1 0 193.290 2.093 50 0 in-vitro AEAARO C[NH2+]C[C@@H](C)c1ccccc1 1481897 168005608 /nfs/dbraw/zinc/00/56/08/168005608.db2.gz AUFSOOYCQYDGES-SECBINFHSA-N 1 0 149.237 2.010 50 0 in-man AEAARO C[NH2+]C[C@@H](OC(C)C)c1ccccc1 32628378 168008330 /nfs/dbraw/zinc/00/83/30/168008330.db2.gz QRTAWUDOYVLNLY-GFCCVEGCSA-N 1 0 193.290 2.372 50 0 in-vitro AEAARO C[NH2+]C[C@@H]1[C@@H](C)C=C(C)C[C@H]1C 5610873 168009236 /nfs/dbraw/zinc/00/92/36/168009236.db2.gz PWAQHLVFMIZZFN-HBNTYKKESA-N 1 0 167.296 2.444 50 0 AEAARO C[NH2+]C[C@H](C)C1CCCCC1 6020761 168009444 /nfs/dbraw/zinc/00/94/44/168009444.db2.gz AGJJTKRYTPXPGM-VIFPVBQESA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO C[NH2+]C[C@@H]1C[C@H]1c1ccc(C)cc1 54588560 168009670 /nfs/dbraw/zinc/00/96/70/168009670.db2.gz VGQGBZHDCGMTKZ-RYUDHWBXSA-N 1 0 175.275 2.318 50 0 AEAARO C[NH2+]C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C 13576512 168009720 /nfs/dbraw/zinc/00/97/20/168009720.db2.gz PWAQHLVFMIZZFN-GARJFASQSA-N 1 0 167.296 2.444 50 0 AEAARO C[NH2+]C[C@H](C)Cc1ccc(OC)cc1 52975830 168010097 /nfs/dbraw/zinc/01/00/97/168010097.db2.gz ZCJHOACFSSVEOI-SNVBAGLBSA-N 1 0 193.290 2.093 50 0 in-vitro AEAARO C[NH2+]C[C@H](C)c1ccccc1 4298801 168010706 /nfs/dbraw/zinc/01/07/06/168010706.db2.gz AUFSOOYCQYDGES-VIFPVBQESA-N 1 0 149.237 2.010 50 0 in-man AEAARO C[NH2+]C[C@H](OC(C)C)c1ccccc1 32628380 168013341 /nfs/dbraw/zinc/01/33/41/168013341.db2.gz QRTAWUDOYVLNLY-LBPRGKRZSA-N 1 0 193.290 2.372 50 0 in-vitro AEAARO C[NH2+]Cc1c(C)cc(C)cc1C 21954655 168013707 /nfs/dbraw/zinc/01/37/07/168013707.db2.gz WHBUJPLDRGYQDY-UHFFFAOYSA-N 1 0 163.264 2.331 50 0 AEAARO C[NH2+]C[C@H]1[C@@H](C)CC(C)=C[C@H]1C 222235395 168014170 /nfs/dbraw/zinc/01/41/70/168014170.db2.gz PWAQHLVFMIZZFN-OUAUKWLOSA-N 1 0 167.296 2.444 50 0 AEAARO C[NH2+]Cc1c(C)[nH]c2ccccc12 16124540 168014174 /nfs/dbraw/zinc/01/41/74/168014174.db2.gz QSEWWKLGOWVVGC-UHFFFAOYSA-N 1 0 174.247 2.196 50 0 in-vitro AEAARO C[NH2+]Cc1[nH]c2ccccc2c1C 15635499 168014379 /nfs/dbraw/zinc/01/43/79/168014379.db2.gz LLEMUFNSHIFWGM-UHFFFAOYSA-N 1 0 174.247 2.196 50 0 AEAARO C[NH2+]Cc1cc2cccnc2s1 5177578 168015166 /nfs/dbraw/zinc/01/51/66/168015166.db2.gz KHFQWFNNJCRAEH-UHFFFAOYSA-N 1 0 178.260 2.016 50 0 in-vitro AEAARO C[NH2+]Cc1c[nH]c2ccc(C)cc12 15635681 168015210 /nfs/dbraw/zinc/01/52/10/168015210.db2.gz OEIGHBKPEYKJJL-UHFFFAOYSA-N 1 0 174.247 2.196 50 0 in-vitro AEAARO C[NH2+]Cc1cc2ccccc2o1 209554 168015291 /nfs/dbraw/zinc/01/52/91/168015291.db2.gz IHPDRTMPENQTEH-UHFFFAOYSA-N 1 0 161.204 2.152 50 0 in-vitro AEAARO C[NH2+]Cc1c[nH]c2ccc(F)cc12 82587879 168015351 /nfs/dbraw/zinc/01/53/51/168015351.db2.gz HENQNXDSAFLWPN-UHFFFAOYSA-N 1 0 178.210 2.026 50 0 AEAARO C[NH2+]Cc1cc(Cl)ccc1OC 4218547 168015488 /nfs/dbraw/zinc/01/54/88/168015488.db2.gz ASUJZJIMEXXDQT-UHFFFAOYSA-N 1 0 185.654 2.068 50 0 in-vitro AEAARO C[NH2+]Cc1cc(C)sc1C 22861888 168015529 /nfs/dbraw/zinc/01/55/29/168015529.db2.gz QSMFVRYERLESQX-UHFFFAOYSA-N 1 0 155.266 2.084 50 0 AEAARO C[NH2+]Cc1c(F)cccc1Cl 2170325 168015593 /nfs/dbraw/zinc/01/55/93/168015593.db2.gz VXYBEMSPMZHOEJ-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 in-vitro AEAARO C[NH2+]Cc1cc2cc(C)ccc2[nH]1 16941584 168015726 /nfs/dbraw/zinc/01/57/26/168015726.db2.gz CXKIZRJIBLXHJE-UHFFFAOYSA-N 1 0 174.247 2.196 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(-c2ccccc2)nc1 12370169 168015750 /nfs/dbraw/zinc/01/57/50/168015750.db2.gz OLZSHISXLYLLBI-UHFFFAOYSA-N 1 0 198.269 2.468 50 0 in-vitro AEAARO C[NH2+]Cc1cc2ccc(F)c(C)c2[nH]1 16941604 168015762 /nfs/dbraw/zinc/01/57/62/168015762.db2.gz POUZSTOUMUHQFE-UHFFFAOYSA-N 1 0 192.237 2.335 50 0 AEAARO C[NH2+]Cc1cc2cccc(C)c2[nH]1 16941586 168015774 /nfs/dbraw/zinc/01/57/74/168015774.db2.gz RIOMCQNGTRFUPR-UHFFFAOYSA-N 1 0 174.247 2.196 50 0 AEAARO C[NH2+]Cc1cc2cc(F)ccc2[nH]1 5914163 168015872 /nfs/dbraw/zinc/01/58/72/168015872.db2.gz CKVSVEPRQOZBFT-UHFFFAOYSA-N 1 0 178.210 2.026 50 0 AEAARO C[NH2+]Cc1cc(Cl)ccc1F 34977642 168015942 /nfs/dbraw/zinc/01/59/42/168015942.db2.gz PZXLNIHUWNUZKU-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 in-vitro AEAARO C[NH2+]Cc1cc(-c2ccccc2)no1 12370769 168015956 /nfs/dbraw/zinc/01/59/56/168015956.db2.gz IUBUISGKALKRFN-UHFFFAOYSA-N 1 0 188.230 2.061 50 0 in-vitro AEAARO C[NH2+]Cc1c(C)cccc1C 83339532 168016347 /nfs/dbraw/zinc/01/63/47/168016347.db2.gz PRGMJUUNMACAAX-UHFFFAOYSA-N 1 0 149.237 2.023 50 0 AEAARO C[NH2+]Cc1cc(C)ccc1C 19723492 168016377 /nfs/dbraw/zinc/01/63/77/168016377.db2.gz IRXWQAMCKJBRAN-UHFFFAOYSA-N 1 0 149.237 2.023 50 0 in-vitro AEAARO C[NH2+]Cc1cc(Cl)cs1 62709815 168016396 /nfs/dbraw/zinc/01/63/96/168016396.db2.gz YREPFFCPSYVLQO-UHFFFAOYSA-N 1 0 161.657 2.121 50 0 AEAARO C[NH2+]Cc1cc(C)cc(C)c1 36923661 168016430 /nfs/dbraw/zinc/01/64/30/168016430.db2.gz HHXARJLFDKHCCL-UHFFFAOYSA-N 1 0 149.237 2.023 50 0 in-vitro AEAARO C[NH2+]Cc1cc(C)c(OC)cc1C 58519399 168016855 /nfs/dbraw/zinc/01/68/55/168016855.db2.gz KXKHZTBQGTVWPL-UHFFFAOYSA-N 1 0 179.263 2.031 50 0 AEAARO C[NH2+]Cc1cc(C)n(C2CC2)c1C 6651277 168016894 /nfs/dbraw/zinc/01/68/94/168016894.db2.gz QCOODVKPXBHCBH-UHFFFAOYSA-N 1 0 178.279 2.159 50 0 AEAARO C[NH2+]Cc1cc(-c2ccccc2)on1 4344053 168017102 /nfs/dbraw/zinc/01/71/02/168017102.db2.gz UOTLCNYQFPJOPY-UHFFFAOYSA-N 1 0 188.230 2.061 50 0 in-vitro AEAARO C[NH2+]Cc1cc(C)c(OC)c(C)c1 34656726 168017296 /nfs/dbraw/zinc/01/72/96/168017296.db2.gz ZPIMFTXUHWUBLE-UHFFFAOYSA-N 1 0 179.263 2.031 50 0 in-vitro AEAARO C[NH2+]Cc1cc(Cl)ccc1C 82529193 168017327 /nfs/dbraw/zinc/01/73/27/168017327.db2.gz OBSUTIHBJMOOTE-UHFFFAOYSA-N 1 0 169.655 2.368 50 0 AEAARO C[NH2+]Cc1ccc(F)c(Cl)c1 53156939 168017482 /nfs/dbraw/zinc/01/74/82/168017482.db2.gz NNVXSSJIYYSLSI-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(-c2ccncc2)c1 3880943 168017630 /nfs/dbraw/zinc/01/76/30/168017630.db2.gz PXCMPGTVPUZXRO-UHFFFAOYSA-N 1 0 198.269 2.468 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(Cl)cc1 161985 168017665 /nfs/dbraw/zinc/01/76/65/168017665.db2.gz LMBUJNXYGGNSAH-UHFFFAOYSA-N 1 0 155.628 2.059 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(C)c(C)c1 36923361 168017825 /nfs/dbraw/zinc/01/78/25/168017825.db2.gz XWOIGIUHCAXXDJ-UHFFFAOYSA-N 1 0 149.237 2.023 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(OC(F)F)cc1 3886961 168017830 /nfs/dbraw/zinc/01/78/30/168017830.db2.gz OZLPONSQVQLJSI-UHFFFAOYSA-N 1 0 187.189 2.007 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(-c2ccccn2)cc1 5177647 168017859 /nfs/dbraw/zinc/01/78/59/168017859.db2.gz YOINJDRZIKXIFW-UHFFFAOYSA-N 1 0 198.269 2.468 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(Cl)c1 161986 168017861 /nfs/dbraw/zinc/01/78/61/168017861.db2.gz ZPNLAQVYPIAHTO-UHFFFAOYSA-N 1 0 155.628 2.059 50 0 AEAARO C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 4219171 168017948 /nfs/dbraw/zinc/01/79/48/168017948.db2.gz MYVUMGMKLHZXHI-VXNVDRBHSA-N 1 0 165.236 2.122 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(-c2ccco2)cn1 14989024 168017956 /nfs/dbraw/zinc/01/79/56/168017956.db2.gz DOKOUBYFAJTDEI-UHFFFAOYSA-N 1 0 188.230 2.061 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(C(F)(F)F)cc1 161983 168018056 /nfs/dbraw/zinc/01/80/56/168018056.db2.gz YMSMEZAYZIYFGA-UHFFFAOYSA-N 1 0 189.180 2.425 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(C2CC2)cc1 40539216 168018112 /nfs/dbraw/zinc/01/81/12/168018112.db2.gz NAMKXZMOGQDBQN-UHFFFAOYSA-N 1 0 161.248 2.283 50 0 AEAARO C[NH2+]Cc1ccc(Cl)cc1F 36947791 168018120 /nfs/dbraw/zinc/01/81/20/168018120.db2.gz MUZTUXIMFOZXRL-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 AEAARO C[NH2+]Cc1ccc(SC)c(OC)c1 39947638 168018167 /nfs/dbraw/zinc/01/81/67/168018167.db2.gz QUDHHRXRBPGKEA-UHFFFAOYSA-N 1 0 197.303 2.137 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(OC(C)C)cc1 34657559 168018220 /nfs/dbraw/zinc/01/82/20/168018220.db2.gz JJKPSSYVVNCFIS-UHFFFAOYSA-N 1 0 179.263 2.193 50 0 AEAARO C[NH2+]Cc1ccc(F)cc1Cl 19393538 168018260 /nfs/dbraw/zinc/01/82/60/168018260.db2.gz SOYPZBKNEIEUIG-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(OC(C)C)c1 34816146 168018320 /nfs/dbraw/zinc/01/83/20/168018320.db2.gz PWGQQYZRNIQISE-UHFFFAOYSA-N 1 0 179.263 2.193 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(C)c1C 33414665 168018344 /nfs/dbraw/zinc/01/83/44/168018344.db2.gz GTLDXGZOKFSBMF-UHFFFAOYSA-N 1 0 149.237 2.023 50 0 in-vitro AEAARO C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 4219172 168018438 /nfs/dbraw/zinc/01/84/38/168018438.db2.gz MYVUMGMKLHZXHI-IONNQARKSA-N 1 0 165.236 2.122 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(OC)c(Cl)c1 20927940 168018440 /nfs/dbraw/zinc/01/84/40/168018440.db2.gz UYQLOFIATPMQGW-UHFFFAOYSA-N 1 0 185.654 2.068 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(C(F)(F)F)c1 161982 168018541 /nfs/dbraw/zinc/01/85/41/168018541.db2.gz JFLPPELZYKHKQZ-UHFFFAOYSA-N 1 0 189.180 2.425 50 0 in-vitro AEAARO C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 4219170 168018551 /nfs/dbraw/zinc/01/85/51/168018551.db2.gz MYVUMGMKLHZXHI-CBAPKCEASA-N 1 0 165.236 2.122 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(Cl)c1F 38534318 168018604 /nfs/dbraw/zinc/01/86/04/168018604.db2.gz RXXOGUOFLXCDJZ-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 AEAARO C[NH2+]Cc1ccc(-c2ccncc2)cc1 3880942 168018614 /nfs/dbraw/zinc/01/86/14/168018614.db2.gz MDKJAMMSIZLRBH-UHFFFAOYSA-N 1 0 198.269 2.468 50 0 AEAARO C[NH2+]Cc1ccc(Cl)s1 3444665 168018686 /nfs/dbraw/zinc/01/86/86/168018686.db2.gz FSFSUSWOXAUPJW-UHFFFAOYSA-N 1 0 161.657 2.121 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(-c2cccnc2)c1 3880944 168018887 /nfs/dbraw/zinc/01/88/87/168018887.db2.gz LZJRRTLTBULOHU-UHFFFAOYSA-N 1 0 198.269 2.468 50 0 in-vitro AEAARO C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 4219169 168018890 /nfs/dbraw/zinc/01/88/90/168018890.db2.gz MYVUMGMKLHZXHI-APPZFPTMSA-N 1 0 165.236 2.122 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(Cl)c(C)c1 82722049 168019008 /nfs/dbraw/zinc/01/90/08/168019008.db2.gz AOPPWBAMLSVYIM-UHFFFAOYSA-N 1 0 169.655 2.368 50 0 AEAARO C[NH2+]Cc1ccc(C)cc1C 4206311 168019163 /nfs/dbraw/zinc/01/91/63/168019163.db2.gz VSBDOKRWYVKYIE-UHFFFAOYSA-N 1 0 149.237 2.023 50 0 AEAARO C[NH2+]Cc1ccc(Cl)c(F)c1 43388166 168019168 /nfs/dbraw/zinc/01/91/68/168019168.db2.gz DCICNBYWFPDIAE-UHFFFAOYSA-N 1 0 173.618 2.199 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(N2CCCC2)c1 12370246 168019204 /nfs/dbraw/zinc/01/92/04/168019204.db2.gz UPWCDHABVAGLNO-UHFFFAOYSA-N 1 0 190.290 2.006 50 0 AEAARO C[NH2+]Cc1cccc(OC(F)F)c1 34816144 168019232 /nfs/dbraw/zinc/01/92/32/168019232.db2.gz YIPIEQYTUDZLEY-UHFFFAOYSA-N 1 0 187.189 2.007 50 0 in-vitro AEAARO C[NH2+]Cc1ccc(SC)cc1 3336061 168019250 /nfs/dbraw/zinc/01/92/50/168019250.db2.gz YGDVLXUWGVDHAV-UHFFFAOYSA-N 1 0 167.277 2.128 50 0 in-vitro AEAARO C[NH2+]Cc1cccc(SC)c1 15635400 168019584 /nfs/dbraw/zinc/01/95/84/168019584.db2.gz ATRLHJZOUVMIHW-UHFFFAOYSA-N 1 0 167.277 2.128 50 0 in-vitro AEAARO C[NH2+]Cc1ccccc1Cl 161988 168019648 /nfs/dbraw/zinc/01/96/48/168019648.db2.gz DIWGZVQKFSFNLH-UHFFFAOYSA-N 1 0 155.628 2.059 50 0 AEAARO C[NH2+]Cc1ccccc1SC 82616297 168019680 /nfs/dbraw/zinc/01/96/80/168019680.db2.gz KTFPJNJKRLUABW-UHFFFAOYSA-N 1 0 167.277 2.128 50 0 in-vitro AEAARO C[NH2+]Cc1ccccc1C(F)(F)F 2584060 168019739 /nfs/dbraw/zinc/01/97/39/168019739.db2.gz GKOKBYDWCYRBGB-UHFFFAOYSA-N 1 0 189.180 2.425 50 0 in-vitro AEAARO C[NH2+]Cc1ccccc1OCC(C)C 19094159 168020036 /nfs/dbraw/zinc/02/00/36/168020036.db2.gz PUPKXKGFKLNZMW-UHFFFAOYSA-N 1 0 193.290 2.441 50 0 AEAARO C[NH2+]Cc1ccccc1N1CCCC1 3888902 168020101 /nfs/dbraw/zinc/02/01/01/168020101.db2.gz YQQVLJYISRREIO-UHFFFAOYSA-N 1 0 190.290 2.006 50 0 in-vitro AEAARO C[NH2+]Cc1ccccc1OC(C)C 19776910 168020228 /nfs/dbraw/zinc/02/02/28/168020228.db2.gz JPTDZISKJWSYGQ-UHFFFAOYSA-N 1 0 179.263 2.193 50 0 AEAARO C[NH2+]Cc1cccn1-c1ccccc1 45205865 168020804 /nfs/dbraw/zinc/02/08/04/168020804.db2.gz QNMZVNMHTVTSNV-UHFFFAOYSA-N 1 0 186.258 2.197 50 0 AEAARO C[NH2+]Cc1ccccc1-n1cccc1 39203929 168021122 /nfs/dbraw/zinc/02/11/22/168021122.db2.gz GPAPQZCFXIJVQO-UHFFFAOYSA-N 1 0 186.258 2.197 50 0 AEAARO C[NH2+]Cc1coc2ccccc12 39136383 168021448 /nfs/dbraw/zinc/02/14/48/168021448.db2.gz BDWIUMVKDRUBFU-UHFFFAOYSA-N 1 0 161.204 2.152 50 0 AEAARO C[NH2+]Cc1nc2ccccc2s1 4206956 168023778 /nfs/dbraw/zinc/02/37/78/168023778.db2.gz XRUPROQYVHMNDL-UHFFFAOYSA-N 1 0 178.260 2.016 50 0 in-vitro AEAARO C[NH2+]Cc1nc2cc(Cl)ccc2o1 14007516 168024086 /nfs/dbraw/zinc/02/40/86/168024086.db2.gz UTUDOEKMJVZXSM-UHFFFAOYSA-N 1 0 196.637 2.201 50 0 AEAARO C[NH2+][C@@H](C)C(=O)c1ccc(C)c(C)c1 41608708 168029444 /nfs/dbraw/zinc/02/94/44/168029444.db2.gz IBZRXTVDTGVBIS-JTQLQIEISA-N 1 0 191.274 2.094 50 0 in-vitro AEAARO C[NH2+][C@@H](C)C(=O)c1cccc(Cl)c1 44138035 168029748 /nfs/dbraw/zinc/02/97/48/168029748.db2.gz VOEFELLSAAJCHJ-ZETCQYMHSA-N 1 0 197.665 2.131 50 0 in-vitro AEAARO C[NH2+][C@@H](C)CC1CCCC1 1481766 168030301 /nfs/dbraw/zinc/03/03/01/168030301.db2.gz HFXKQSZZZPGLKQ-QMMMGPOBSA-N 1 0 141.258 2.175 50 0 in-man AEAARO C[NH2+][C@@H](C)C(=O)c1ccc(Cl)cc1 41609251 168031579 /nfs/dbraw/zinc/03/15/79/168031579.db2.gz UEJBEYOXRNGPEI-ZETCQYMHSA-N 1 0 197.665 2.131 50 0 in-vitro AEAARO C[NH2+][C@@H](C)C1CCCCC1 34496755 168031623 /nfs/dbraw/zinc/03/16/23/168031623.db2.gz HMJRHWDZXQWZRU-QMMMGPOBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO C[NH2+][C@@H](C)Cc1c[nH]c2ccccc12 517223 168031816 /nfs/dbraw/zinc/03/18/16/168031816.db2.gz HUWIYJREHSBOEO-VIFPVBQESA-N 1 0 188.274 2.318 50 0 biogenic,in-vitro AEAARO C[NH2+][C@@H](C)Cc1ccccc1C 11596712 168032077 /nfs/dbraw/zinc/03/20/77/168032077.db2.gz IXEBWNOSEOYATJ-JTQLQIEISA-N 1 0 163.264 2.145 50 0 in-vitro AEAARO C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 75545886 168032534 /nfs/dbraw/zinc/03/25/34/168032534.db2.gz VLCNEVLBEFFUMR-ZJUUUORDSA-N 1 0 163.264 2.398 50 0 in-vitro AEAARO C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 57270 168032990 /nfs/dbraw/zinc/03/29/90/168032990.db2.gz XXLWNLKEOWWHDC-QMMMGPOBSA-N 1 0 183.682 2.490 50 0 in-vitro AEAARO C[NH2+][C@@H](C)Cc1cccc(C)c1 11596715 168033173 /nfs/dbraw/zinc/03/31/73/168033173.db2.gz CXVNKBVJDKMLOH-JTQLQIEISA-N 1 0 163.264 2.145 50 0 AEAARO C[NH2+][C@@H](C)CCc1ccccc1 6020674 168033392 /nfs/dbraw/zinc/03/33/92/168033392.db2.gz PUAUJIPHHQUZGF-JTQLQIEISA-N 1 0 163.264 2.227 50 0 AEAARO C[NH2+][C@@H](C)CCc1ccc(OC)cc1 11631387 168033437 /nfs/dbraw/zinc/03/34/37/168033437.db2.gz DZWSRSUTTSTGNU-JTQLQIEISA-N 1 0 193.290 2.236 50 0 AEAARO C[NH2+][C@@H](C)Cc1ccc(C)cc1 11596724 168033507 /nfs/dbraw/zinc/03/35/07/168033507.db2.gz GAIWFPOJOHUEBL-JTQLQIEISA-N 1 0 163.264 2.145 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1cc(F)ccc1F 21962591 168033836 /nfs/dbraw/zinc/03/38/36/168033836.db2.gz SRVVQVRSBZVYPA-LURJTMIESA-N 1 0 171.190 2.245 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 19481064 168033867 /nfs/dbraw/zinc/03/38/67/168033867.db2.gz QKQPASLTUKTNJE-ZETCQYMHSA-N 1 0 183.226 2.115 50 0 AEAARO C[NH2+][C@@H](C)c1cccc(F)c1 8698417 168033896 /nfs/dbraw/zinc/03/38/96/168033896.db2.gz PZBFMZHXSLJFMU-ZETCQYMHSA-N 1 0 153.200 2.106 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccccc1F 8698423 168034038 /nfs/dbraw/zinc/03/40/38/168034038.db2.gz QEHQNPXQYYTODW-ZETCQYMHSA-N 1 0 153.200 2.106 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1nc(C)sc1C 15635694 168034499 /nfs/dbraw/zinc/03/44/99/168034499.db2.gz JXLFGBIQVANZGO-YFKPBYRVSA-N 1 0 170.281 2.040 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccc(C)cc1 1649050 168034751 /nfs/dbraw/zinc/03/47/51/168034751.db2.gz WUFPPWANSBKANN-VIFPVBQESA-N 1 0 149.237 2.275 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1c(F)cccc1F 21960656 168034923 /nfs/dbraw/zinc/03/49/23/168034923.db2.gz PUOOAZHFWYJUNB-LURJTMIESA-N 1 0 171.190 2.245 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccccc1C 21954762 168035289 /nfs/dbraw/zinc/03/52/89/168035289.db2.gz ZQVYRJXZAWZERP-VIFPVBQESA-N 1 0 149.237 2.275 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccc(F)c(F)c1 12505370 168035328 /nfs/dbraw/zinc/03/53/28/168035328.db2.gz PBKIHZXPVAIQLQ-LURJTMIESA-N 1 0 171.190 2.245 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1sc(C)nc1C 40518779 168035387 /nfs/dbraw/zinc/03/53/87/168035387.db2.gz YVLIGMQLZXNHQN-YFKPBYRVSA-N 1 0 170.281 2.040 50 0 in-vitro AEAARO C[NH2+][C@@H](C)[C@H](C)c1ccccc1 75545888 168035481 /nfs/dbraw/zinc/03/54/81/168035481.db2.gz VLCNEVLBEFFUMR-UWVGGRQHSA-N 1 0 163.264 2.398 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1cccs1 64940 168035541 /nfs/dbraw/zinc/03/55/41/168035541.db2.gz IPSPCSZFJRJGMS-LURJTMIESA-N 1 0 141.239 2.029 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccc(F)cc1 6950492 168035587 /nfs/dbraw/zinc/03/55/87/168035587.db2.gz YORRIBKELCOOIJ-ZETCQYMHSA-N 1 0 153.200 2.106 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1ccc(C)s1 19276572 168035716 /nfs/dbraw/zinc/03/57/16/168035716.db2.gz HXZNXVVQSBMWBC-ZETCQYMHSA-N 1 0 155.266 2.337 50 0 in-vitro AEAARO C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 2387184 168035798 /nfs/dbraw/zinc/03/57/98/168035798.db2.gz KLFJXADECANLNB-QMMMGPOBSA-N 1 0 174.247 2.448 50 0 in-vitro AEAARO C[NH2+][C@@H](COC)c1ccc(Cl)cc1 49672319 168036218 /nfs/dbraw/zinc/03/62/18/168036218.db2.gz GKYDRJUTIUGAKW-JTQLQIEISA-N 1 0 199.681 2.247 50 0 in-vitro AEAARO C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 35463824 168038952 /nfs/dbraw/zinc/03/89/52/168038952.db2.gz KJUWJZWCBWUZKN-LLVKDONJSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[NH2+][C@@H]1CCCC(C)(C)C1 70682495 168039007 /nfs/dbraw/zinc/03/90/07/168039007.db2.gz FRQACHUFHIYEKD-MRVPVSSYSA-N 1 0 141.258 2.175 50 0 AEAARO C[NH2+][C@@H](Cc1ccccn1)C(C)(C)C 52232029 168039516 /nfs/dbraw/zinc/03/95/16/168039516.db2.gz GOOOAWOFOQIPOR-NSHDSACASA-N 1 0 192.306 2.258 50 0 in-vitro AEAARO C[NH2+][C@@H](c1ccccc1)c1ccccn1 21966381 168039585 /nfs/dbraw/zinc/03/95/85/168039585.db2.gz IEYJNWLSRVHHMZ-ZDUSSCGKSA-N 1 0 198.269 2.390 50 0 in-vitro AEAARO C[NH2+][C@@H]1CCCc2ccccc21 4204787 168040358 /nfs/dbraw/zinc/04/03/58/168040358.db2.gz JQEUPNKUYMHYPW-LLVKDONJSA-N 1 0 161.248 2.283 50 0 in-vivo AEAARO C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 36178436 168040524 /nfs/dbraw/zinc/04/05/24/168040524.db2.gz ZNYHMFMQFFSNIH-IWSPIJDZSA-N 1 0 141.258 2.031 50 0 AEAARO C[NH2+][C@@H]1CCCc2nc(C)sc21 50329976 168040584 /nfs/dbraw/zinc/04/05/84/168040584.db2.gz WQLOQZQVGNEGDS-SSDOTTSWSA-N 1 0 182.292 2.048 50 0 in-vitro AEAARO C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 20055071 168040808 /nfs/dbraw/zinc/04/08/08/168040808.db2.gz ZNYHMFMQFFSNIH-HRDYMLBCSA-N 1 0 141.258 2.031 50 0 AEAARO C[NH2+][C@@H]1CCCO[C@@H]1c1ccccc1 71773724 168040819 /nfs/dbraw/zinc/04/08/19/168040819.db2.gz XDTINDYHYPOJLF-VXGBXAGGSA-N 1 0 191.274 2.126 50 0 AEAARO C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 36178439 168040855 /nfs/dbraw/zinc/04/08/55/168040855.db2.gz ZNYHMFMQFFSNIH-DJLDLDEBSA-N 1 0 141.258 2.031 50 0 AEAARO C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C 60716055 168041206 /nfs/dbraw/zinc/04/12/06/168041206.db2.gz JLRGFRIGTQDSHN-DTWKUNHWSA-N 1 0 155.285 2.421 50 0 AEAARO C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 20055074 168041261 /nfs/dbraw/zinc/04/12/61/168041261.db2.gz ZNYHMFMQFFSNIH-XHNCKOQMSA-N 1 0 141.258 2.031 50 0 AEAARO C[NH2+][C@@H]1CCCc2ccc(OC)cc21 54742152 168041895 /nfs/dbraw/zinc/04/18/95/168041895.db2.gz BANZPNLDKYYYIN-GFCCVEGCSA-N 1 0 191.274 2.292 50 0 AEAARO C[NH2+][C@@H]1CCCc2cc(OC)ccc21 19274705 168042025 /nfs/dbraw/zinc/04/20/25/168042025.db2.gz YQEXNIMCMNITTJ-GFCCVEGCSA-N 1 0 191.274 2.292 50 0 in-vitro AEAARO C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C 60716053 168042149 /nfs/dbraw/zinc/04/21/49/168042149.db2.gz JLRGFRIGTQDSHN-RKDXNWHRSA-N 1 0 155.285 2.421 50 0 AEAARO C[NH2+][C@@H]1CCOc2c(C)cccc21 35652687 168042558 /nfs/dbraw/zinc/04/25/58/168042558.db2.gz VAFODZCPNWYTNE-SNVBAGLBSA-N 1 0 177.247 2.038 50 0 AEAARO C[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 240707844 168042624 /nfs/dbraw/zinc/04/26/24/168042624.db2.gz HQUOQBHXYFNECY-XYPYZODXSA-N 1 0 191.274 2.161 50 0 AEAARO C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 238850490 168043537 /nfs/dbraw/zinc/04/35/37/168043537.db2.gz BWVAXYOVGQELNQ-BRPSZJMVSA-N 1 0 141.258 2.031 50 0 in-vitro AEAARO C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 19271944 168043796 /nfs/dbraw/zinc/04/37/96/168043796.db2.gz DBIKWHSBKVRPBS-DTWKUNHWSA-N 1 0 155.285 2.421 50 0 AEAARO C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 19271941 168043806 /nfs/dbraw/zinc/04/38/06/168043806.db2.gz DBIKWHSBKVRPBS-RKDXNWHRSA-N 1 0 155.285 2.421 50 0 AEAARO C[NH2+][C@@]1(C)[C@H]2CC[C@H](C2)C1(C)C 38143012 168047829 /nfs/dbraw/zinc/04/78/29/168047829.db2.gz IMYZQPCYWPFTAG-YWVKMMECSA-N 1 0 167.296 2.421 50 0 in-vitro AEAARO C[NH2+][C@H](C)CCc1ccc(OC)cc1 11631388 168048283 /nfs/dbraw/zinc/04/82/83/168048283.db2.gz DZWSRSUTTSTGNU-SNVBAGLBSA-N 1 0 193.290 2.236 50 0 AEAARO C[NH2+][C@H](C)CC1CCCC1 2041152 168048617 /nfs/dbraw/zinc/04/86/17/168048617.db2.gz HFXKQSZZZPGLKQ-MRVPVSSYSA-N 1 0 141.258 2.175 50 0 in-man AEAARO C[NH2+][C@H](C)C1CCCCC1 34496756 168048993 /nfs/dbraw/zinc/04/89/93/168048993.db2.gz HMJRHWDZXQWZRU-MRVPVSSYSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO C[NH2+][C@H](C)C(=O)c1ccc(Cl)cc1 41609252 168049052 /nfs/dbraw/zinc/04/90/52/168049052.db2.gz UEJBEYOXRNGPEI-SSDOTTSWSA-N 1 0 197.665 2.131 50 0 in-vitro AEAARO C[NH2+][C@H](C)C(=O)c1cccc(Cl)c1 44138037 168049234 /nfs/dbraw/zinc/04/92/34/168049234.db2.gz VOEFELLSAAJCHJ-SSDOTTSWSA-N 1 0 197.665 2.131 50 0 in-vitro AEAARO C[NH2+][C@H](C)CCc1ccccc1 6036494 168049323 /nfs/dbraw/zinc/04/93/23/168049323.db2.gz PUAUJIPHHQUZGF-SNVBAGLBSA-N 1 0 163.264 2.227 50 0 AEAARO C[NH2+][C@H](C)C(=O)c1ccc(C)c(C)c1 41608706 168049614 /nfs/dbraw/zinc/04/96/14/168049614.db2.gz IBZRXTVDTGVBIS-SNVBAGLBSA-N 1 0 191.274 2.094 50 0 in-vitro AEAARO C[NH2+][C@H](C)Cc1c[nH]c2ccccc12 517224 168049811 /nfs/dbraw/zinc/04/98/11/168049811.db2.gz HUWIYJREHSBOEO-SECBINFHSA-N 1 0 188.274 2.318 50 0 biogenic,in-vitro AEAARO C[NH2+][C@H](C)[C@H](C)c1ccccc1 75545884 168050219 /nfs/dbraw/zinc/05/02/19/168050219.db2.gz VLCNEVLBEFFUMR-VHSXEESVSA-N 1 0 163.264 2.398 50 0 in-vitro AEAARO C[NH2+][C@H](C)[C@@H](C)c1ccccc1 75545881 168050469 /nfs/dbraw/zinc/05/04/69/168050469.db2.gz VLCNEVLBEFFUMR-NXEZZACHSA-N 1 0 163.264 2.398 50 0 in-vitro AEAARO C[NH2+][C@H](C)Cc1cccc(C)c1 11596720 168050481 /nfs/dbraw/zinc/05/04/81/168050481.db2.gz CXVNKBVJDKMLOH-SNVBAGLBSA-N 1 0 163.264 2.145 50 0 AEAARO C[NH2+][C@H](C)Cc1ccccc1C 11596713 168050749 /nfs/dbraw/zinc/05/07/49/168050749.db2.gz IXEBWNOSEOYATJ-SNVBAGLBSA-N 1 0 163.264 2.145 50 0 in-vitro AEAARO C[NH2+][C@H](C)Cc1ccc(Cl)cc1 57271 168050944 /nfs/dbraw/zinc/05/09/44/168050944.db2.gz XXLWNLKEOWWHDC-MRVPVSSYSA-N 1 0 183.682 2.490 50 0 in-vitro AEAARO C[NH2+][C@H](C)Cc1ccc(C)cc1 11596727 168051204 /nfs/dbraw/zinc/05/12/04/168051204.db2.gz GAIWFPOJOHUEBL-SNVBAGLBSA-N 1 0 163.264 2.145 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccccc1F 8698420 168051405 /nfs/dbraw/zinc/05/14/05/168051405.db2.gz QEHQNPXQYYTODW-SSDOTTSWSA-N 1 0 153.200 2.106 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccc(OC)c(F)c1 19481066 168051526 /nfs/dbraw/zinc/05/15/26/168051526.db2.gz QKQPASLTUKTNJE-SSDOTTSWSA-N 1 0 183.226 2.115 50 0 AEAARO C[NH2+][C@H](C)c1cccs1 64941 168051764 /nfs/dbraw/zinc/05/17/64/168051764.db2.gz IPSPCSZFJRJGMS-ZCFIWIBFSA-N 1 0 141.239 2.029 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1nc(C)sc1C 15635696 168051783 /nfs/dbraw/zinc/05/17/83/168051783.db2.gz JXLFGBIQVANZGO-RXMQYKEDSA-N 1 0 170.281 2.040 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1c(F)cccc1F 21960661 168051801 /nfs/dbraw/zinc/05/18/01/168051801.db2.gz PUOOAZHFWYJUNB-ZCFIWIBFSA-N 1 0 171.190 2.245 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1cc(F)ccc1F 21962596 168051848 /nfs/dbraw/zinc/05/18/48/168051848.db2.gz SRVVQVRSBZVYPA-ZCFIWIBFSA-N 1 0 171.190 2.245 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccc(C)cc1 6487698 168052107 /nfs/dbraw/zinc/05/21/07/168052107.db2.gz WUFPPWANSBKANN-SECBINFHSA-N 1 0 149.237 2.275 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccc(F)c(F)c1 12505371 168052162 /nfs/dbraw/zinc/05/21/62/168052162.db2.gz PBKIHZXPVAIQLQ-ZCFIWIBFSA-N 1 0 171.190 2.245 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1cc2ccccc2[nH]1 6176245 168052215 /nfs/dbraw/zinc/05/22/15/168052215.db2.gz KLFJXADECANLNB-MRVPVSSYSA-N 1 0 174.247 2.448 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccc(F)cc1 6950496 168052245 /nfs/dbraw/zinc/05/22/45/168052245.db2.gz YORRIBKELCOOIJ-SSDOTTSWSA-N 1 0 153.200 2.106 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1sc(C)nc1C 40518778 168052353 /nfs/dbraw/zinc/05/23/53/168052353.db2.gz YVLIGMQLZXNHQN-RXMQYKEDSA-N 1 0 170.281 2.040 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccccc1C 21954766 168052511 /nfs/dbraw/zinc/05/25/11/168052511.db2.gz ZQVYRJXZAWZERP-SECBINFHSA-N 1 0 149.237 2.275 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1cccc(F)c1 8698418 168052734 /nfs/dbraw/zinc/05/27/34/168052734.db2.gz PZBFMZHXSLJFMU-SSDOTTSWSA-N 1 0 153.200 2.106 50 0 in-vitro AEAARO C[NH2+][C@H](C)c1ccc(C)s1 19276575 168052891 /nfs/dbraw/zinc/05/28/91/168052891.db2.gz HXZNXVVQSBMWBC-SSDOTTSWSA-N 1 0 155.266 2.337 50 0 in-vitro AEAARO C[NH2+][C@H](Cc1ccccn1)C(C)(C)C 52232026 168053222 /nfs/dbraw/zinc/05/32/22/168053222.db2.gz GOOOAWOFOQIPOR-LLVKDONJSA-N 1 0 192.306 2.258 50 0 in-vitro AEAARO C[NH2+][C@H](COC)c1ccc(Cl)cc1 49672320 168053235 /nfs/dbraw/zinc/05/32/35/168053235.db2.gz GKYDRJUTIUGAKW-SNVBAGLBSA-N 1 0 199.681 2.247 50 0 in-vitro AEAARO C[NH2+][C@H](c1ccccc1)c1ccccn1 21966386 168055813 /nfs/dbraw/zinc/05/58/13/168055813.db2.gz IEYJNWLSRVHHMZ-CYBMUJFWSA-N 1 0 198.269 2.390 50 0 in-vitro AEAARO C[NH2+][C@H](c1ccc(F)cc1)C1CC1 35463826 168056126 /nfs/dbraw/zinc/05/61/26/168056126.db2.gz KJUWJZWCBWUZKN-NSHDSACASA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[NH2+][C@H]1CCCC(C)(C)C1 70682494 168056227 /nfs/dbraw/zinc/05/62/27/168056227.db2.gz FRQACHUFHIYEKD-QMMMGPOBSA-N 1 0 141.258 2.175 50 0 AEAARO C[NH2+][C@H]1CCCO[C@H]1c1ccccc1 71773727 168056603 /nfs/dbraw/zinc/05/66/03/168056603.db2.gz XDTINDYHYPOJLF-RYUDHWBXSA-N 1 0 191.274 2.126 50 0 AEAARO C[NH2+][C@H]1CCCc2cc(OC)ccc21 19274707 168056842 /nfs/dbraw/zinc/05/68/42/168056842.db2.gz YQEXNIMCMNITTJ-LBPRGKRZSA-N 1 0 191.274 2.292 50 0 in-vitro AEAARO C[NH2+][C@H]1CCCc2ccc(OC)cc21 54742153 168057051 /nfs/dbraw/zinc/05/70/51/168057051.db2.gz BANZPNLDKYYYIN-LBPRGKRZSA-N 1 0 191.274 2.292 50 0 AEAARO C[NH2+][C@H]1CCC[C@H]1C(C)(C)C 60716050 168057221 /nfs/dbraw/zinc/05/72/21/168057221.db2.gz JLRGFRIGTQDSHN-BDAKNGLRSA-N 1 0 155.285 2.421 50 0 AEAARO 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193.290 2.374 50 0 AEAARO COCCC[NH2+][C@@H](C)c1ccccc1 20142283 168155882 /nfs/dbraw/zinc/15/58/82/168155882.db2.gz VLBSCXSIAIBDAL-NSHDSACASA-N 1 0 193.290 2.374 50 0 AEAARO COCCC[NH2+]Cc1cccc(C)c1 20142135 168155907 /nfs/dbraw/zinc/15/59/07/168155907.db2.gz ZDRMWZZFTGEUPH-UHFFFAOYSA-N 1 0 193.290 2.121 50 0 AEAARO COCCC[NH2+]Cc1ccc(C)cc1 2555528 168156123 /nfs/dbraw/zinc/15/61/23/168156123.db2.gz ZQLARNYZMHSPBE-UHFFFAOYSA-N 1 0 193.290 2.121 50 0 AEAARO COCCC[NH2+][C@H]1CCC[C@@H](C)C1 2897670 168156236 /nfs/dbraw/zinc/15/62/36/168156236.db2.gz CHVSKJXXEAHNKD-MNOVXSKESA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@@H]1CCCC[C@@H]1C 20142170 168156344 /nfs/dbraw/zinc/15/63/44/168156344.db2.gz YBADUSYXZKORGT-WDEREUQCSA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@H]1CCCC[C@H]1C 20142178 168156379 /nfs/dbraw/zinc/15/63/79/168156379.db2.gz YBADUSYXZKORGT-MNOVXSKESA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@H]1CCCC[C@@H]1C 20142173 168156733 /nfs/dbraw/zinc/15/67/33/168156733.db2.gz YBADUSYXZKORGT-QWRGUYRKSA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@@H]1CCC[C@H](C)C1 2897667 168156870 /nfs/dbraw/zinc/15/68/70/168156870.db2.gz CHVSKJXXEAHNKD-WDEREUQCSA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@@H]1CCCC[C@H]1C 20142176 168156890 /nfs/dbraw/zinc/15/68/90/168156890.db2.gz YBADUSYXZKORGT-GHMZBOCLSA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@H]1CCC[C@H](C)C1 2897669 168156930 /nfs/dbraw/zinc/15/69/30/168156930.db2.gz CHVSKJXXEAHNKD-QWRGUYRKSA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+][C@@H]1CCC[C@@H](C)C1 2897668 168157199 /nfs/dbraw/zinc/15/71/99/168157199.db2.gz CHVSKJXXEAHNKD-GHMZBOCLSA-N 1 0 185.311 2.191 50 0 AEAARO COCCC[NH2+]Cc1ccccc1C 13718230 168157210 /nfs/dbraw/zinc/15/72/10/168157210.db2.gz ZSYKMQNPTUOSRV-UHFFFAOYSA-N 1 0 193.290 2.121 50 0 AEAARO COCCC[NH2+][C@H](C)c1cccs1 20142369 168157223 /nfs/dbraw/zinc/15/72/23/168157223.db2.gz ZEGGMKQRGHHDEF-SECBINFHSA-N 1 0 199.319 2.435 50 0 AEAARO COCC[N@H+](C)C1CCCCCC1 58196121 168158763 /nfs/dbraw/zinc/15/87/63/168158763.db2.gz ZATLDJIKDZWWSV-UHFFFAOYSA-N 1 0 185.311 2.287 50 0 AEAARO COCC[N@H+](C)Cc1sccc1C 58151634 168159301 /nfs/dbraw/zinc/15/93/01/168159301.db2.gz WUNXKUJETKQHGN-UHFFFAOYSA-N 1 0 199.319 2.135 50 0 AEAARO COCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 40013619 168161815 /nfs/dbraw/zinc/16/18/15/168161815.db2.gz UMRSOSLEDUQYAD-RYUDHWBXSA-N 1 0 197.322 2.287 50 0 AEAARO COCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 334152003 168161818 /nfs/dbraw/zinc/16/18/18/168161818.db2.gz UMRSOSLEDUQYAD-NWDGAFQWSA-N 1 0 197.322 2.287 50 0 AEAARO COCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 40013617 168162909 /nfs/dbraw/zinc/16/29/09/168162909.db2.gz UMRSOSLEDUQYAD-NEPJUHHUSA-N 1 0 197.322 2.287 50 0 AEAARO COCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 334152004 168165022 /nfs/dbraw/zinc/16/50/22/168165022.db2.gz UMRSOSLEDUQYAD-VXGBXAGGSA-N 1 0 197.322 2.287 50 0 AEAARO COCC[NH2+]C1CCC(C(C)C)CC1 54554361 168165963 /nfs/dbraw/zinc/16/59/63/168165963.db2.gz SWAJJAUXDRYWHU-UHFFFAOYSA-N 1 0 199.338 2.437 50 0 AEAARO COCC[NH2+]C1[C@@H](C)CCC[C@@H]1C 19881195 168166156 /nfs/dbraw/zinc/16/61/56/168166156.db2.gz RANWYACDKWLYNG-UWVGGRQHSA-N 1 0 185.311 2.047 50 0 AEAARO COCC[NH2+]C1[C@H](C)CCC[C@H]1C 19881204 168166226 /nfs/dbraw/zinc/16/62/26/168166226.db2.gz RANWYACDKWLYNG-NXEZZACHSA-N 1 0 185.311 2.047 50 0 AEAARO COCC[NH2+]C1CCCCCCC1 4996415 168166309 /nfs/dbraw/zinc/16/63/09/168166309.db2.gz BNBQYPFUNLPVFT-UHFFFAOYSA-N 1 0 185.311 2.335 50 0 AEAARO COCC[NH2+][C@@H](C)C1CCCCC1 37186361 168167161 /nfs/dbraw/zinc/16/71/61/168167161.db2.gz FKLMHNUOFFNTRG-JTQLQIEISA-N 1 0 185.311 2.191 50 0 AEAARO COCC[NH2+]Cc1cccc(C)c1C 48219006 168167217 /nfs/dbraw/zinc/16/72/17/168167217.db2.gz YHNKTLHAATYNNF-UHFFFAOYSA-N 1 0 193.290 2.039 50 0 AEAARO COCC[NH2+]Cc1ccc(Cl)cc1 2555540 168167250 /nfs/dbraw/zinc/16/72/50/168167250.db2.gz YAKIFYDDSQOBAF-UHFFFAOYSA-N 1 0 199.681 2.076 50 0 AEAARO COCC[NH2+][C@H](C)c1cccs1 19881379 168167277 /nfs/dbraw/zinc/16/72/77/168167277.db2.gz PHOLWTBFOMZGDW-MRVPVSSYSA-N 1 0 185.292 2.045 50 0 AEAARO COCC[NH2+][C@H](C)c1ccc(C)s1 19881761 168167317 /nfs/dbraw/zinc/16/73/17/168167317.db2.gz GKJZRXGHGVHBDX-SECBINFHSA-N 1 0 199.319 2.354 50 0 AEAARO COCC[NH2+][C@H](C)c1ccccc1C 19881581 168167387 /nfs/dbraw/zinc/16/73/87/168167387.db2.gz MSFHYOREVFFHSM-LLVKDONJSA-N 1 0 193.290 2.292 50 0 AEAARO COCC[NH2+][C@@H](C)c1cccs1 19881376 168167462 /nfs/dbraw/zinc/16/74/62/168167462.db2.gz PHOLWTBFOMZGDW-QMMMGPOBSA-N 1 0 185.292 2.045 50 0 AEAARO COCC[NH2+][C@H](C)c1cccc(F)c1 19881701 168167566 /nfs/dbraw/zinc/16/75/66/168167566.db2.gz HWRXDERWODBZLZ-SECBINFHSA-N 1 0 197.253 2.123 50 0 AEAARO COCC[NH2+]Cc1cc(C)cc(C)c1 37978545 168167657 /nfs/dbraw/zinc/16/76/57/168167657.db2.gz BKVVZLSCAGRNGP-UHFFFAOYSA-N 1 0 193.290 2.039 50 0 AEAARO COCC[NH2+][C@H](C)C1CCCCC1 37186362 168167684 /nfs/dbraw/zinc/16/76/84/168167684.db2.gz FKLMHNUOFFNTRG-SNVBAGLBSA-N 1 0 185.311 2.191 50 0 AEAARO COCC[NH2+]Cc1cc(C)ccc1C 36094862 168167746 /nfs/dbraw/zinc/16/77/46/168167746.db2.gz MOBSQWFZLSGYGV-UHFFFAOYSA-N 1 0 193.290 2.039 50 0 AEAARO COCC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 238855256 168167891 /nfs/dbraw/zinc/16/78/91/168167891.db2.gz RANWYACDKWLYNG-URLYPYJESA-N 1 0 185.311 2.047 50 0 AEAARO COCC[NH2+][C@@H](C)c1ccccc1C 19881579 168168140 /nfs/dbraw/zinc/16/81/40/168168140.db2.gz MSFHYOREVFFHSM-NSHDSACASA-N 1 0 193.290 2.292 50 0 AEAARO COCC[NH2+][C@@H](C)c1ccc(C)cc1 15446544 168168496 /nfs/dbraw/zinc/16/84/96/168168496.db2.gz BSZGDGNAHWJVFM-NSHDSACASA-N 1 0 193.290 2.292 50 0 AEAARO COCC[NH2+]Cc1ccc(C)c(C)c1 34990788 168168617 /nfs/dbraw/zinc/16/86/17/168168617.db2.gz QNKMMGIFXWOGAS-UHFFFAOYSA-N 1 0 193.290 2.039 50 0 AEAARO COCC[NH2+][C@H](C)c1ccc(C)cc1 15446546 168168698 /nfs/dbraw/zinc/16/86/98/168168698.db2.gz BSZGDGNAHWJVFM-LLVKDONJSA-N 1 0 193.290 2.292 50 0 AEAARO COCC[NH2+]Cc1ccc(C)cc1C 19881092 168168726 /nfs/dbraw/zinc/16/87/26/168168726.db2.gz XVBYEGSCCNVPJR-UHFFFAOYSA-N 1 0 193.290 2.039 50 0 AEAARO COCC[NH2+]Cc1cccc(Cl)c1 16194394 168168813 /nfs/dbraw/zinc/16/88/13/168168813.db2.gz WHHMYMYNIYULEI-UHFFFAOYSA-N 1 0 199.681 2.076 50 0 AEAARO COCC[NH2+][C@@H](C)c1ccc(C)s1 19881759 168168832 /nfs/dbraw/zinc/16/88/32/168168832.db2.gz GKJZRXGHGVHBDX-VIFPVBQESA-N 1 0 199.319 2.354 50 0 AEAARO COCC[NH2+]Cc1ccccc1Cl 2555539 168168896 /nfs/dbraw/zinc/16/88/96/168168896.db2.gz ZSUIQDROWOFXRG-UHFFFAOYSA-N 1 0 199.681 2.076 50 0 AEAARO COCC[NH2+][C@@H](C)c1cccc(F)c1 19881700 168168953 /nfs/dbraw/zinc/16/89/53/168168953.db2.gz HWRXDERWODBZLZ-VIFPVBQESA-N 1 0 197.253 2.123 50 0 AEAARO COCC[C@@H]([NH3+])c1ccc(Cl)cc1 42436467 168173987 /nfs/dbraw/zinc/17/39/87/168173987.db2.gz ZCVPGJGYVNMKAJ-SNVBAGLBSA-N 1 0 199.681 2.376 50 0 AEAARO COCC[C@H]([NH3+])c1ccc(Cl)cc1 42436466 168174681 /nfs/dbraw/zinc/17/46/81/168174681.db2.gz ZCVPGJGYVNMKAJ-JTQLQIEISA-N 1 0 199.681 2.376 50 0 AEAARO COC[C@@H](C)[NH2+][C@H](C)c1ccccc1 19904514 168179965 /nfs/dbraw/zinc/17/99/65/168179965.db2.gz HHFZWXFMMPLCHM-GHMZBOCLSA-N 1 0 193.290 2.372 50 0 AEAARO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 19904705 168180002 /nfs/dbraw/zinc/18/00/02/168180002.db2.gz CUIGLCFHCNDRFF-PSASIEDQSA-N 1 0 197.278 2.274 50 0 AEAARO COC[C@@H](C)[NH2+]Cc1cccc(C)c1 263125 168180246 /nfs/dbraw/zinc/18/02/46/168180246.db2.gz GKPUKIMRCPIANO-LLVKDONJSA-N 1 0 193.290 2.120 50 0 in-vitro AEAARO COC[C@@H](C)[NH2+][C@@H](C)c1cccs1 19904623 168180413 /nfs/dbraw/zinc/18/04/13/168180413.db2.gz SYGXRDNHMVQHCH-BDAKNGLRSA-N 1 0 199.319 2.434 50 0 AEAARO COC[C@@H](C)[NH2+]Cc1ccccc1C 293155 168180720 /nfs/dbraw/zinc/18/07/20/168180720.db2.gz IBQJRTAAPFIEHG-LLVKDONJSA-N 1 0 193.290 2.120 50 0 in-vitro AEAARO COC[C@@H](C)[NH2+]Cc1ccc(C)cc1 295113 168180787 /nfs/dbraw/zinc/18/07/87/168180787.db2.gz JNGGFINYDLQHDK-LLVKDONJSA-N 1 0 193.290 2.120 50 0 AEAARO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 19904701 168180923 /nfs/dbraw/zinc/18/09/23/168180923.db2.gz CUIGLCFHCNDRFF-SCZZXKLOSA-N 1 0 197.278 2.274 50 0 AEAARO COC[C@@H](C)[NH2+]CC1CCCCC1 19904458 168181104 /nfs/dbraw/zinc/18/11/04/168181104.db2.gz HRBZZQFSEAIHMJ-SNVBAGLBSA-N 1 0 185.311 2.191 50 0 AEAARO COC[C@@H](C)[NH2+][C@H](C)c1cccs1 19904627 168181645 /nfs/dbraw/zinc/18/16/45/168181645.db2.gz SYGXRDNHMVQHCH-RKDXNWHRSA-N 1 0 199.319 2.434 50 0 AEAARO COC[C@@H](C)[NH2+][C@@H](C)c1ccccc1 19904512 168181668 /nfs/dbraw/zinc/18/16/68/168181668.db2.gz HHFZWXFMMPLCHM-MNOVXSKESA-N 1 0 193.290 2.372 50 0 AEAARO COC[C@@H](C[NH3+])c1ccc(Cl)cc1 160765487 168182701 /nfs/dbraw/zinc/18/27/01/168182701.db2.gz VBVWPVNCCBHELE-SECBINFHSA-N 1 0 199.681 2.029 50 0 AEAARO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 19904703 168189015 /nfs/dbraw/zinc/18/90/15/168189015.db2.gz CUIGLCFHCNDRFF-WPRPVWTQSA-N 1 0 197.278 2.274 50 0 AEAARO COC[C@H](C)[NH2+]Cc1cccc(C)c1 263122 168189060 /nfs/dbraw/zinc/18/90/60/168189060.db2.gz GKPUKIMRCPIANO-NSHDSACASA-N 1 0 193.290 2.120 50 0 in-vitro AEAARO COC[C@H](C)[NH2+][C@H](C)c1cccs1 19904628 168189649 /nfs/dbraw/zinc/18/96/49/168189649.db2.gz SYGXRDNHMVQHCH-DTWKUNHWSA-N 1 0 199.319 2.434 50 0 AEAARO COC[C@H](C)[NH2+][C@H](C)c1ccccc1 19904515 168189705 /nfs/dbraw/zinc/18/97/05/168189705.db2.gz HHFZWXFMMPLCHM-WDEREUQCSA-N 1 0 193.290 2.372 50 0 AEAARO COC[C@H](C)[NH2+][C@@H](C)c1ccccc1 19904513 168189806 /nfs/dbraw/zinc/18/98/06/168189806.db2.gz HHFZWXFMMPLCHM-QWRGUYRKSA-N 1 0 193.290 2.372 50 0 AEAARO COC[C@H](C)[NH2+][C@@H](C)c1cccs1 19904625 168189830 /nfs/dbraw/zinc/18/98/30/168189830.db2.gz SYGXRDNHMVQHCH-IUCAKERBSA-N 1 0 199.319 2.434 50 0 AEAARO COC[C@H](C[NH3+])c1ccc(Cl)cc1 160765670 168189853 /nfs/dbraw/zinc/18/98/53/168189853.db2.gz VBVWPVNCCBHELE-VIFPVBQESA-N 1 0 199.681 2.029 50 0 AEAARO COC[C@H](C)[NH2+]CC1CCCCC1 19904459 168189906 /nfs/dbraw/zinc/18/99/06/168189906.db2.gz HRBZZQFSEAIHMJ-JTQLQIEISA-N 1 0 185.311 2.191 50 0 AEAARO COC[C@H](C)[NH2+]Cc1ccccc1C 293153 168190334 /nfs/dbraw/zinc/19/03/34/168190334.db2.gz IBQJRTAAPFIEHG-NSHDSACASA-N 1 0 193.290 2.120 50 0 in-vitro AEAARO COC[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 19904707 168190434 /nfs/dbraw/zinc/19/04/34/168190434.db2.gz CUIGLCFHCNDRFF-WCBMZHEXSA-N 1 0 197.278 2.274 50 0 AEAARO COC[C@H](C)[NH2+]Cc1ccc(C)cc1 295112 168190471 /nfs/dbraw/zinc/19/04/71/168190471.db2.gz JNGGFINYDLQHDK-NSHDSACASA-N 1 0 193.290 2.120 50 0 AEAARO COC[n+]1ccc(C)c2ccccc21 390943 168192322 /nfs/dbraw/zinc/19/23/22/168192322.db2.gz JKFTZNBUSWVQMN-UHFFFAOYSA-N 1 0 188.250 2.040 50 0 AEAARO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] 43053537 168203763 /nfs/dbraw/zinc/20/37/63/168203763.db2.gz JDROQHVHGGPYFX-OIBJUYFYSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@@H](C[NH3+])c1ccc(Cl)s1 43254675 168203992 /nfs/dbraw/zinc/20/39/92/168203992.db2.gz LKPFBNBOHDWZNQ-YFKPBYRVSA-N 1 0 191.683 2.048 50 0 AEAARO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1 95942438 168204086 /nfs/dbraw/zinc/20/40/86/168204086.db2.gz NYOVNDDKJJBZGQ-QWRGUYRKSA-N 1 0 193.290 2.200 50 0 in-vitro AEAARO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] 43053538 168204194 /nfs/dbraw/zinc/20/41/94/168204194.db2.gz JDROQHVHGGPYFX-GMSGAONNSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] 42947877 168204568 /nfs/dbraw/zinc/20/45/68/168204568.db2.gz UDYBNDPRKUCJKP-OIBJUYFYSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] 42947880 168204648 /nfs/dbraw/zinc/20/46/48/168204648.db2.gz UDYBNDPRKUCJKP-GMSGAONNSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@@H](C[NH3+])c1cc2ccccc2o1 59433301 168205050 /nfs/dbraw/zinc/20/50/50/168205050.db2.gz RZLALHVLHAHUEX-NSHDSACASA-N 1 0 191.230 2.079 50 0 AEAARO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 4891711 168206155 /nfs/dbraw/zinc/20/61/55/168206155.db2.gz IVKJTDJLKSPBMQ-VXGBXAGGSA-N 1 0 197.322 2.476 50 0 AEAARO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 4891707 168206501 /nfs/dbraw/zinc/20/65/01/168206501.db2.gz IVKJTDJLKSPBMQ-NWDGAFQWSA-N 1 0 197.322 2.476 50 0 AEAARO CO[C@H](C[NH3+])c1ccc(Cl)s1 43254677 168213145 /nfs/dbraw/zinc/21/31/45/168213145.db2.gz LKPFBNBOHDWZNQ-RXMQYKEDSA-N 1 0 191.683 2.048 50 0 AEAARO CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1 95942437 168213724 /nfs/dbraw/zinc/21/37/24/168213724.db2.gz NYOVNDDKJJBZGQ-WDEREUQCSA-N 1 0 193.290 2.200 50 0 in-vitro AEAARO CO[C@H](C[NH3+])c1cc2ccccc2o1 59433302 168214178 /nfs/dbraw/zinc/21/41/78/168214178.db2.gz RZLALHVLHAHUEX-LLVKDONJSA-N 1 0 191.230 2.079 50 0 AEAARO CO[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 4891712 168214652 /nfs/dbraw/zinc/21/46/52/168214652.db2.gz IVKJTDJLKSPBMQ-NEPJUHHUSA-N 1 0 197.322 2.476 50 0 AEAARO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] 42947872 168214900 /nfs/dbraw/zinc/21/49/00/168214900.db2.gz UDYBNDPRKUCJKP-XVKPBYJWSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] 43053535 168215028 /nfs/dbraw/zinc/21/50/28/168215028.db2.gz JDROQHVHGGPYFX-XCBNKYQSSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 4891710 168215530 /nfs/dbraw/zinc/21/55/30/168215530.db2.gz IVKJTDJLKSPBMQ-RYUDHWBXSA-N 1 0 197.322 2.476 50 0 AEAARO CO[C@H](c1ccccc1Cl)[C@H](C)[NH3+] 43053533 168215563 /nfs/dbraw/zinc/21/55/63/168215563.db2.gz JDROQHVHGGPYFX-XVKPBYJWSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] 42947875 168215613 /nfs/dbraw/zinc/21/56/13/168215613.db2.gz UDYBNDPRKUCJKP-XCBNKYQSSA-N 1 0 199.681 2.375 50 0 in-vitro AEAARO COc1c(C)cc([C@H](C)[NH3+])cc1C 3705419 168222884 /nfs/dbraw/zinc/22/28/84/168222884.db2.gz PZJOZFDBKPDRHV-VIFPVBQESA-N 1 0 179.263 2.332 50 0 AEAARO COc1c(C)cccc1[C@@H]1CCC[NH2+]1 3732364 168222989 /nfs/dbraw/zinc/22/29/89/168222989.db2.gz CRQMPBRKWTVVTJ-NSHDSACASA-N 1 0 191.274 2.428 50 0 in-vitro AEAARO COc1c(C)cccc1[C@H]1CCC[NH2+]1 3732363 168223307 /nfs/dbraw/zinc/22/33/07/168223307.db2.gz CRQMPBRKWTVVTJ-LLVKDONJSA-N 1 0 191.274 2.428 50 0 in-vitro AEAARO COc1c(C)cc([C@@H](C)[NH3+])cc1C 3705418 168223855 /nfs/dbraw/zinc/22/38/55/168223855.db2.gz PZJOZFDBKPDRHV-SECBINFHSA-N 1 0 179.263 2.332 50 0 AEAARO COc1c(C)c[nH+]c(C)c1C 5116350 168223956 /nfs/dbraw/zinc/22/39/56/168223956.db2.gz LELDJUYQEMKHJH-UHFFFAOYSA-N 1 0 151.209 2.015 50 0 AEAARO COc1cc(C)c([C@@H](C)[NH3+])cc1OC 3705556 168230310 /nfs/dbraw/zinc/23/03/10/168230310.db2.gz UFNNTVUTJZZQGV-MRVPVSSYSA-N 1 0 195.262 2.032 50 0 in-vitro AEAARO COc1cc(C)c([C@H](C)[NH3+])cc1OC 3705557 168231174 /nfs/dbraw/zinc/23/11/74/168231174.db2.gz UFNNTVUTJZZQGV-QMMMGPOBSA-N 1 0 195.262 2.032 50 0 in-vitro AEAARO COc1cc(C)ccc1[C@@H](C)[NH3+] 37184023 168232133 /nfs/dbraw/zinc/23/21/33/168232133.db2.gz RMSCGKQKPMOHRD-MRVPVSSYSA-N 1 0 165.236 2.023 50 0 AEAARO COc1cc(C)ccc1[C@H](C)[NH3+] 37184024 168232624 /nfs/dbraw/zinc/23/26/24/168232624.db2.gz RMSCGKQKPMOHRD-QMMMGPOBSA-N 1 0 165.236 2.023 50 0 AEAARO COc1cc(C[NH3+])cc2ccccc12 96527823 168233760 /nfs/dbraw/zinc/23/37/60/168233760.db2.gz MVSIPTYMTCLWAS-UHFFFAOYSA-N 1 0 187.242 2.307 50 0 AEAARO COc1cc(C[NH2+]C(C)C)ccc1F 83342735 168233867 /nfs/dbraw/zinc/23/38/67/168233867.db2.gz NQNCRZXOXWQDMA-UHFFFAOYSA-N 1 0 197.253 2.332 50 0 AEAARO COc1cc(C[NH2+]C2CC2)ccc1F 83342259 168234267 /nfs/dbraw/zinc/23/42/67/168234267.db2.gz GWDXJCDGBPZRQX-UHFFFAOYSA-N 1 0 195.237 2.086 50 0 AEAARO COc1cc2ccccc2cc1C[NH3+] 82635969 168240089 /nfs/dbraw/zinc/24/00/89/168240089.db2.gz RFVNJQHMIQBFMX-UHFFFAOYSA-N 1 0 187.242 2.307 50 0 AEAARO COc1ccc(C(C)(C)[NH3+])cc1F 36156426 168245761 /nfs/dbraw/zinc/24/57/61/168245761.db2.gz SBOGMHMDLJRRPR-UHFFFAOYSA-N 1 0 183.226 2.028 50 0 AEAARO COc1ccc(C(F)F)cc1C[NH3+] 40449175 168245895 /nfs/dbraw/zinc/24/58/95/168245895.db2.gz JNCQNTWTTBNLAC-UHFFFAOYSA-N 1 0 187.189 2.092 50 0 AEAARO COc1ccc(C(C)(C)C)cc1C[NH3+] 41206431 168246396 /nfs/dbraw/zinc/24/63/96/168246396.db2.gz HXWJVGQRJZZUOD-UHFFFAOYSA-N 1 0 193.290 2.451 50 0 AEAARO COc1ccc(C2([NH3+])CCCC2)cc1 11833620 168246850 /nfs/dbraw/zinc/24/68/50/168246850.db2.gz AXOUBGWNQDCRAW-UHFFFAOYSA-N 1 0 191.274 2.423 50 0 in-vitro AEAARO COc1ccc(C)cc1[C@H](C)[NH3+] 3705330 168247101 /nfs/dbraw/zinc/24/71/01/168247101.db2.gz BIWQIGJYBOPFLL-QMMMGPOBSA-N 1 0 165.236 2.023 50 0 in-vitro AEAARO COc1ccc(C2=CC[NH2+]CC2)cc1 19280545 168247524 /nfs/dbraw/zinc/24/75/24/168247524.db2.gz XWENGDIACIBQQL-UHFFFAOYSA-N 1 0 189.258 2.072 50 0 in-vitro AEAARO COc1ccc(C2([NH3+])CCC2)cc1 11833619 168247554 /nfs/dbraw/zinc/24/75/54/168247554.db2.gz LHPLFXKYTQGLLU-UHFFFAOYSA-N 1 0 177.247 2.033 50 0 in-vitro AEAARO COc1ccc(C2CC2)cc1C[NH3+] 52886477 168247588 /nfs/dbraw/zinc/24/75/88/168247588.db2.gz GCUAMAMCIZOWIE-UHFFFAOYSA-N 1 0 177.247 2.031 50 0 AEAARO COc1ccc(C2CC[NH2+]CC2)cc1 2577366 168247612 /nfs/dbraw/zinc/24/76/12/168247612.db2.gz VCRQRAYQLAPLJH-UHFFFAOYSA-N 1 0 191.274 2.162 50 0 in-vitro AEAARO COc1ccc(C2(C[NH3+])CCC2)cc1 11848926 168247755 /nfs/dbraw/zinc/24/77/55/168247755.db2.gz UPZJUNZCLDSSFX-UHFFFAOYSA-N 1 0 191.274 2.076 50 0 in-vitro AEAARO COc1ccc(C2=[NH+]CCC2)cc1 22115632 168247971 /nfs/dbraw/zinc/24/79/71/168247971.db2.gz BVRMHGPJEAUGAX-UHFFFAOYSA-N 1 0 175.231 2.278 50 0 AEAARO COc1ccc(C)cc1[C@@H](C)[NH3+] 3705329 168248373 /nfs/dbraw/zinc/24/83/73/168248373.db2.gz BIWQIGJYBOPFLL-MRVPVSSYSA-N 1 0 165.236 2.023 50 0 in-vitro AEAARO COc1ccc(CC(C)(C)C[NH3+])cc1 49804199 168249184 /nfs/dbraw/zinc/24/91/84/168249184.db2.gz TZAQXPDAQGCYIR-UHFFFAOYSA-N 1 0 193.290 2.223 50 0 AEAARO COc1ccc(CC[NH2+]C(C)C)cc1 2555554 168249450 /nfs/dbraw/zinc/24/94/50/168249450.db2.gz RUFDGSSUOBSVBG-UHFFFAOYSA-N 1 0 193.290 2.236 50 0 in-vitro AEAARO COc1ccc(CC2([NH3+])CCC2)cc1 16916798 168249964 /nfs/dbraw/zinc/24/99/64/168249964.db2.gz BEEXFDLLLPAPKD-UHFFFAOYSA-N 1 0 191.274 2.119 50 0 AEAARO COc1ccc(C[NH2+]C(C)C)cc1 4298819 168250612 /nfs/dbraw/zinc/25/06/12/168250612.db2.gz RVROZYOHWNUUNB-UHFFFAOYSA-N 1 0 179.263 2.193 50 0 in-vitro AEAARO COc1ccc(C[C@H]([NH3+])C(C)C)cc1 38128702 168250808 /nfs/dbraw/zinc/25/08/08/168250808.db2.gz RVYFDOMQGUWFOF-LBPRGKRZSA-N 1 0 193.290 2.221 50 0 AEAARO COc1ccc(C[NH2+]CC(C)C)cc1 6883599 168250873 /nfs/dbraw/zinc/25/08/73/168250873.db2.gz IIXBSLNOYQUWJP-UHFFFAOYSA-N 1 0 193.290 2.441 50 0 AEAARO COc1ccc(C[NH3+])cc1C(C)C 41200999 168250926 /nfs/dbraw/zinc/25/09/26/168250926.db2.gz OTVIYWCNACHLNK-UHFFFAOYSA-N 1 0 179.263 2.277 50 0 AEAARO COc1ccc(C[NH+]2CCCC2)cc1 6585672 168251039 /nfs/dbraw/zinc/25/10/39/168251039.db2.gz ITSWOQFBVVYVPT-UHFFFAOYSA-N 1 0 191.274 2.291 50 0 AEAARO COc1ccc(C[NH3+])c2sccc12 82893102 168251167 /nfs/dbraw/zinc/25/11/67/168251167.db2.gz YUGIETXPRYTDMG-UHFFFAOYSA-N 1 0 193.271 2.369 50 0 AEAARO COc1ccc(C[NH2+]C2CCC2)cc1 44479980 168251318 /nfs/dbraw/zinc/25/13/18/168251318.db2.gz KWPXRGPYGNBPNM-UHFFFAOYSA-N 1 0 191.274 2.337 50 0 AEAARO COc1ccc(C[C@@H]([NH3+])C(C)C)cc1 38128701 168251697 /nfs/dbraw/zinc/25/16/97/168251697.db2.gz RVYFDOMQGUWFOF-GFCCVEGCSA-N 1 0 193.290 2.221 50 0 AEAARO COc1ccc(Cl)cc1C[NH+](C)C 32751293 168252402 /nfs/dbraw/zinc/25/24/02/168252402.db2.gz NBVDCYQRNKTQMJ-UHFFFAOYSA-N 1 0 199.681 2.410 50 0 AEAARO COc1ccc(F)cc1[C@H]1CCC[NH2+]1 57937502 168255097 /nfs/dbraw/zinc/25/50/97/168255097.db2.gz HBQVISFWYXWEDV-SNVBAGLBSA-N 1 0 195.237 2.259 50 0 AEAARO COc1ccc([C@@H](C)[NH3+])cc1C 3705333 168256766 /nfs/dbraw/zinc/25/67/66/168256766.db2.gz GJGLAYDRPDYUPA-MRVPVSSYSA-N 1 0 165.236 2.023 50 0 in-vitro AEAARO COc1ccc([C@@H](C)CC[NH3+])cc1 11629510 168256969 /nfs/dbraw/zinc/25/69/69/168256969.db2.gz IOKHUXZEUPMVDC-VIFPVBQESA-N 1 0 179.263 2.148 50 0 in-vitro AEAARO COc1ccc([C@@H]2CCC[NH2+]C2)cc1 2577398 168257265 /nfs/dbraw/zinc/25/72/65/168257265.db2.gz XOFIBRNSGSEFHC-LLVKDONJSA-N 1 0 191.274 2.162 50 0 AEAARO COc1ccc([C@@H](C)[C@H](C)[NH3+])cc1 72266524 168257371 /nfs/dbraw/zinc/25/73/71/168257371.db2.gz YRVZJUUUXSMVNS-IUCAKERBSA-N 1 0 179.263 2.146 50 0 in-vitro AEAARO COc1ccc([C@@H]2CCC[NH2+]2)cc1C 4234764 168257382 /nfs/dbraw/zinc/25/73/82/168257382.db2.gz HTAJFHAIWRDAGU-NSHDSACASA-N 1 0 191.274 2.428 50 0 in-vitro AEAARO COc1ccc([C@@H]([NH3+])C(C)C)cc1 4207399 168257413 /nfs/dbraw/zinc/25/74/13/168257413.db2.gz AUYJFPAWKLQFML-NSHDSACASA-N 1 0 179.263 2.351 50 0 biogenic,in-vitro AEAARO COc1ccc([C@@H]2[NH2+]CCS2)cc1 243768 168257459 /nfs/dbraw/zinc/25/74/59/168257459.db2.gz OQFUUZFCTONCOU-SNVBAGLBSA-N 1 0 195.287 2.030 50 0 in-vitro AEAARO COc1ccc([C@@H]([NH3+])C2CC2)cc1 5210836 168257716 /nfs/dbraw/zinc/25/77/16/168257716.db2.gz IVVASFZJFLBRPG-NSHDSACASA-N 1 0 177.247 2.105 50 0 in-vitro AEAARO COc1ccc([C@@H]2CC[NH2+]C2)c(C)c1 82890130 168257788 /nfs/dbraw/zinc/25/77/88/168257788.db2.gz YFCDTQHQXFWDGA-SNVBAGLBSA-N 1 0 191.274 2.081 50 0 AEAARO COc1ccc([C@@H](C)[C@@H](C)[NH3+])cc1 72266522 168257943 /nfs/dbraw/zinc/25/79/43/168257943.db2.gz YRVZJUUUXSMVNS-DTWKUNHWSA-N 1 0 179.263 2.146 50 0 in-vitro AEAARO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1 3704277 168258082 /nfs/dbraw/zinc/25/80/82/168258082.db2.gz FOJLQBWDUYARSL-CABZTGNLSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1ccc([C@@H]2CCC[NH2+]2)cc1F 40442605 168258442 /nfs/dbraw/zinc/25/84/42/168258442.db2.gz LKGIRHSTUHRWFX-JTQLQIEISA-N 1 0 195.237 2.259 50 0 AEAARO COc1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 68576665 168258461 /nfs/dbraw/zinc/25/84/61/168258461.db2.gz QVGZCXWSVLIGDZ-KOLCDFICSA-N 1 0 191.274 2.161 50 0 in-vitro AEAARO COc1ccc([C@@H]2CCC[NH2+]2)cc1 2382423 168258479 /nfs/dbraw/zinc/25/84/79/168258479.db2.gz HCBLZPKEGFYHDN-NSHDSACASA-N 1 0 177.247 2.120 50 0 in-vitro AEAARO COc1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1 68576666 168258590 /nfs/dbraw/zinc/25/85/90/168258590.db2.gz QVGZCXWSVLIGDZ-ONGXEEELSA-N 1 0 191.274 2.161 50 0 in-vitro AEAARO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1 3704278 168258615 /nfs/dbraw/zinc/25/86/15/168258615.db2.gz FOJLQBWDUYARSL-SKDRFNHKSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1 3704280 168258823 /nfs/dbraw/zinc/25/88/23/168258823.db2.gz FOJLQBWDUYARSL-BXKDBHETSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1ccc([C@H]2CCC[NH2+]2)cc1C 4234765 168258973 /nfs/dbraw/zinc/25/89/73/168258973.db2.gz HTAJFHAIWRDAGU-LLVKDONJSA-N 1 0 191.274 2.428 50 0 in-vitro AEAARO COc1ccc([C@H](C)[C@H](C)[NH3+])cc1 72266523 168259056 /nfs/dbraw/zinc/25/90/56/168259056.db2.gz YRVZJUUUXSMVNS-BDAKNGLRSA-N 1 0 179.263 2.146 50 0 in-vitro AEAARO COc1ccc([C@H]2CCC[NH2+]C2)cc1 20417638 168259078 /nfs/dbraw/zinc/25/90/78/168259078.db2.gz XOFIBRNSGSEFHC-NSHDSACASA-N 1 0 191.274 2.162 50 0 AEAARO COc1ccc([C@H](C)[C@@H](C)[NH3+])cc1 72266521 168259082 /nfs/dbraw/zinc/25/90/82/168259082.db2.gz YRVZJUUUXSMVNS-RKDXNWHRSA-N 1 0 179.263 2.146 50 0 in-vitro AEAARO COc1ccc([C@H]2C[C@H]([NH3+])C2)cc1F 238855813 168259100 /nfs/dbraw/zinc/25/91/00/168259100.db2.gz SULQCLGDPZTVGI-KYZUINATSA-N 1 0 195.237 2.039 50 0 AEAARO COc1ccc([C@H]2CC[NH2+]C2)c(C)c1 82890131 168259202 /nfs/dbraw/zinc/25/92/02/168259202.db2.gz YFCDTQHQXFWDGA-JTQLQIEISA-N 1 0 191.274 2.081 50 0 AEAARO COc1ccc([C@H]2C[NH2+][C@H](C)C2)cc1 68576668 168259263 /nfs/dbraw/zinc/25/92/63/168259263.db2.gz QVGZCXWSVLIGDZ-MWLCHTKSSA-N 1 0 191.274 2.161 50 0 in-vitro AEAARO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1 3704279 168259372 /nfs/dbraw/zinc/25/93/72/168259372.db2.gz FOJLQBWDUYARSL-JOYOIKCWSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1ccc([C@H]2CCC[NH2+]2)cc1F 57937498 168259389 /nfs/dbraw/zinc/25/93/89/168259389.db2.gz LKGIRHSTUHRWFX-SNVBAGLBSA-N 1 0 195.237 2.259 50 0 AEAARO COc1ccc([C@H](C)CC[NH3+])cc1 11629511 168259472 /nfs/dbraw/zinc/25/94/72/168259472.db2.gz IOKHUXZEUPMVDC-SECBINFHSA-N 1 0 179.263 2.148 50 0 in-vitro AEAARO COc1ccc([C@H]([NH3+])C2CC2)cc1 5210829 168259493 /nfs/dbraw/zinc/25/94/93/168259493.db2.gz IVVASFZJFLBRPG-LLVKDONJSA-N 1 0 177.247 2.105 50 0 in-vitro AEAARO COc1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1 68576671 168259690 /nfs/dbraw/zinc/25/96/90/168259690.db2.gz QVGZCXWSVLIGDZ-GXSJLCMTSA-N 1 0 191.274 2.161 50 0 in-vitro AEAARO COc1ccc([C@H]([NH3+])C(C)C)cc1 4207400 168259774 /nfs/dbraw/zinc/25/97/74/168259774.db2.gz AUYJFPAWKLQFML-LLVKDONJSA-N 1 0 179.263 2.351 50 0 biogenic,in-vitro AEAARO COc1ccc([C@H]2CCC[NH2+]2)cc1 3399065 168259955 /nfs/dbraw/zinc/25/99/55/168259955.db2.gz HCBLZPKEGFYHDN-LLVKDONJSA-N 1 0 177.247 2.120 50 0 in-vitro AEAARO COc1ccc([C@H](C)[NH3+])cc1C 3705334 168260127 /nfs/dbraw/zinc/26/01/27/168260127.db2.gz GJGLAYDRPDYUPA-QMMMGPOBSA-N 1 0 165.236 2.023 50 0 in-vitro AEAARO COc1ccc([N+]#N)cc1 4283620 168260571 /nfs/dbraw/zinc/26/05/71/168260571.db2.gz NDBJTKNWAOXLHS-UHFFFAOYSA-N 1 0 135.146 2.180 50 0 AEAARO COc1ccc([C@H]2[NH2+]CCS2)cc1 243767 168260677 /nfs/dbraw/zinc/26/06/77/168260677.db2.gz OQFUUZFCTONCOU-JTQLQIEISA-N 1 0 195.287 2.030 50 0 in-vitro AEAARO COc1ccc2c(c1)CCC[C@H]2C[NH3+] 34480292 168261037 /nfs/dbraw/zinc/26/10/37/168261037.db2.gz PWCAWOYQXQCEEV-JTQLQIEISA-N 1 0 191.274 2.074 50 0 in-vitro AEAARO COc1ccc2c(c1)C[C@H](C)[NH+]=C2C 95347788 168261328 /nfs/dbraw/zinc/26/13/28/168261328.db2.gz DXZAMPLVUDTVSM-QMMMGPOBSA-N 1 0 189.258 2.449 50 0 in-vitro AEAARO COc1ccc2c(c1)C[C@H](C)[NH2+][C@@H]2C 82785381 168261333 /nfs/dbraw/zinc/26/13/33/168261333.db2.gz WSGQMOPDSPIBDB-DTWKUNHWSA-N 1 0 191.274 2.290 50 0 in-vitro AEAARO COc1ccc2c(N)cc(C)[nH+]c2c1 32099435 168261547 /nfs/dbraw/zinc/26/15/47/168261547.db2.gz DFEFIEPUGGZAFP-UHFFFAOYSA-N 1 0 188.230 2.134 50 0 AEAARO COc1ccc2c(c1)CCC[C@@H]2C[NH3+] 34480290 168261604 /nfs/dbraw/zinc/26/16/04/168261604.db2.gz PWCAWOYQXQCEEV-SNVBAGLBSA-N 1 0 191.274 2.074 50 0 in-vitro AEAARO COc1ccc2c(c1)C[C@H](C)[NH2+][C@H]2C 82785379 168261653 /nfs/dbraw/zinc/26/16/53/168261653.db2.gz WSGQMOPDSPIBDB-IUCAKERBSA-N 1 0 191.274 2.290 50 0 in-vitro AEAARO COc1ccc2c(c1)CC(C)(C)[NH2+]C2 58521511 168261710 /nfs/dbraw/zinc/26/17/10/168261710.db2.gz STRYGVAUUKVJRU-UHFFFAOYSA-N 1 0 191.274 2.120 50 0 AEAARO COc1ccc2c(c1)C[C@@H](C)[NH+]=C2C 95347787 168261723 /nfs/dbraw/zinc/26/17/23/168261723.db2.gz DXZAMPLVUDTVSM-MRVPVSSYSA-N 1 0 189.258 2.449 50 0 in-vitro AEAARO COc1ccc2c(c1)CCC[C@@H]2[NH3+] 5733831 168261771 /nfs/dbraw/zinc/26/17/71/168261771.db2.gz NWDPZDVSZWOAFS-NSHDSACASA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO COc1ccc2c(c1)C[C@@H](C)[NH2+][C@H]2C 82785378 168262120 /nfs/dbraw/zinc/26/21/20/168262120.db2.gz WSGQMOPDSPIBDB-BDAKNGLRSA-N 1 0 191.274 2.290 50 0 in-vitro AEAARO COc1ccc2c(c1)C[C@@H](C)[NH2+][C@@H]2C 82785380 168262361 /nfs/dbraw/zinc/26/23/61/168262361.db2.gz WSGQMOPDSPIBDB-RKDXNWHRSA-N 1 0 191.274 2.290 50 0 in-vitro AEAARO COc1ccc2c(c1)CCC[C@H]2[NH3+] 5733836 168262435 /nfs/dbraw/zinc/26/24/35/168262435.db2.gz NWDPZDVSZWOAFS-LLVKDONJSA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO COc1ccc2c(c1)CC[C@H](C)N2 39271546 168262525 /nfs/dbraw/zinc/26/25/25/168262525.db2.gz FFNZAVKUPGTJAX-QMMMGPOBSA-N 1 0 177.247 2.442 50 0 AEAARO COc1ccc2c(c1)[C@@H](CC[NH3+])CC2 41205448 168262968 /nfs/dbraw/zinc/26/29/68/168262968.db2.gz MKFQCOXFGMBPAP-SNVBAGLBSA-N 1 0 191.274 2.074 50 0 in-vitro AEAARO COc1ccc2c(c1)[C@H](CC[NH3+])CC2 41205446 168263729 /nfs/dbraw/zinc/26/37/29/168263729.db2.gz MKFQCOXFGMBPAP-JTQLQIEISA-N 1 0 191.274 2.074 50 0 in-vitro AEAARO COc1ccc2c(c1)[C@@H]([NH3+])CCC2 8699644 168264005 /nfs/dbraw/zinc/26/40/05/168264005.db2.gz XVZQKVKVDOXQJG-NSHDSACASA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO COc1ccc2cc(C[NH3+])ccc2c1 12505111 168264267 /nfs/dbraw/zinc/26/42/67/168264267.db2.gz MCCAWZYURZFQOX-UHFFFAOYSA-N 1 0 187.242 2.307 50 0 in-vitro AEAARO COc1ccc2ccccc2c1C[NH3+] 4227556 168264405 /nfs/dbraw/zinc/26/44/05/168264405.db2.gz REAOSNBEURFYOE-UHFFFAOYSA-N 1 0 187.242 2.307 50 0 in-vitro AEAARO COc1ccc2c(c1)[C@H]([NH3+])CCC2 8699643 168265448 /nfs/dbraw/zinc/26/54/48/168265448.db2.gz XVZQKVKVDOXQJG-LLVKDONJSA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO COc1ccc2sc(C)[n+](C)c2c1 44008 168266173 /nfs/dbraw/zinc/26/61/73/168266173.db2.gz ITELWFSIVVCAAI-UHFFFAOYSA-N 1 0 194.279 2.043 50 0 AEAARO COc1ccc2occ([C@H](C)[NH3+])c2c1 201803 168266361 /nfs/dbraw/zinc/26/63/61/168266361.db2.gz HLBUEVSMKBQOGO-ZETCQYMHSA-N 1 0 191.230 2.461 50 0 AEAARO COc1ccc2[nH+]c(C)cc(N)c2c1 19093685 168266818 /nfs/dbraw/zinc/26/68/18/168266818.db2.gz KLQQFYUSSBAOFT-UHFFFAOYSA-N 1 0 188.230 2.134 50 0 biogenic,in-vitro AEAARO COc1ccc2occ([C@@H](C)[NH3+])c2c1 201805 168267028 /nfs/dbraw/zinc/26/70/28/168267028.db2.gz HLBUEVSMKBQOGO-SSDOTTSWSA-N 1 0 191.230 2.461 50 0 AEAARO COc1cccc(CC(C)(C)C[NH3+])c1 49804203 168267518 /nfs/dbraw/zinc/26/75/18/168267518.db2.gz AXUJIYQQLRPYMD-UHFFFAOYSA-N 1 0 193.290 2.223 50 0 AEAARO COc1cccc(C2CC[NH2+]CC2)c1 2577367 168267686 /nfs/dbraw/zinc/26/76/86/168267686.db2.gz NONQCMNVMIGQEE-UHFFFAOYSA-N 1 0 191.274 2.162 50 0 in-vitro AEAARO COc1cccc(C2=CC[NH2+]CC2)c1 19811371 168267885 /nfs/dbraw/zinc/26/78/85/168267885.db2.gz ALCDWWMOJJWJGW-UHFFFAOYSA-N 1 0 189.258 2.072 50 0 in-vitro AEAARO COc1cccc(C2([NH3+])CCCC2)c1 13564836 168267945 /nfs/dbraw/zinc/26/79/45/168267945.db2.gz RXAGLWIEYMKKCU-UHFFFAOYSA-N 1 0 191.274 2.423 50 0 AEAARO COc1cccc(C2(C[NH3+])CCC2)c1 20357674 168268030 /nfs/dbraw/zinc/26/80/30/168268030.db2.gz WNUFPFSPWRRXFM-UHFFFAOYSA-N 1 0 191.274 2.076 50 0 AEAARO COc1cccc(CC2([NH3+])CCC2)c1 16718886 168268153 /nfs/dbraw/zinc/26/81/53/168268153.db2.gz XWNNSEVIEWFXLB-UHFFFAOYSA-N 1 0 191.274 2.119 50 0 AEAARO COc1cccc(C2([NH3+])CCC2)c1 40907701 168268342 /nfs/dbraw/zinc/26/83/42/168268342.db2.gz PPKMJRHXTNEBGP-UHFFFAOYSA-N 1 0 177.247 2.033 50 0 in-vitro AEAARO COc1cccc(C[NH+]2CCCC2)c1 14193452 168269140 /nfs/dbraw/zinc/26/91/40/168269140.db2.gz CRNUGDRGRSACGY-UHFFFAOYSA-N 1 0 191.274 2.291 50 0 AEAARO COc1cccc(F)c1[C@@H]1CCC[NH2+]1 40442593 168269149 /nfs/dbraw/zinc/26/91/49/168269149.db2.gz URUJGNNLGRJZBR-VIFPVBQESA-N 1 0 195.237 2.259 50 0 AEAARO COc1cccc(C[NH2+]CC(C)C)c1 6883639 168269208 /nfs/dbraw/zinc/26/92/08/168269208.db2.gz YSWWWWWQNTUHPV-UHFFFAOYSA-N 1 0 193.290 2.441 50 0 in-vitro AEAARO COc1cccc(F)c1[C@H]1CCC[NH2+]1 72201674 168270086 /nfs/dbraw/zinc/27/00/86/168270086.db2.gz URUJGNNLGRJZBR-SECBINFHSA-N 1 0 195.237 2.259 50 0 AEAARO COc1cccc([C@@H]2CCC[NH2+]2)c1 2582587 168270460 /nfs/dbraw/zinc/27/04/60/168270460.db2.gz QGKFYRMABWIOIW-NSHDSACASA-N 1 0 177.247 2.120 50 0 in-vitro AEAARO COc1cccc([C@@H]2CCC[NH2+]C2)c1 12647799 168271148 /nfs/dbraw/zinc/27/11/48/168271148.db2.gz LXCUAFVVTHZALS-LLVKDONJSA-N 1 0 191.274 2.162 50 0 in-vitro AEAARO COc1cccc([C@@H](C)[NH+](C)C)c1 34402092 168271264 /nfs/dbraw/zinc/27/12/64/168271264.db2.gz KFKCIWQNLGOHOA-SECBINFHSA-N 1 0 179.263 2.318 50 0 AEAARO COc1cccc([C@@H]([NH3+])C2CC2)c1 3739135 168271547 /nfs/dbraw/zinc/27/15/47/168271547.db2.gz ILNBYLMWHBLDTE-NSHDSACASA-N 1 0 177.247 2.105 50 0 in-vitro AEAARO COc1cccc([C@H]2C[C@@H](C)C[NH2+]2)c1 3704284 168272105 /nfs/dbraw/zinc/27/21/05/168272105.db2.gz QOAKBLCGJMYVEY-BXKDBHETSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1cccc([C@H]([NH3+])C2CC2)c1 3739134 168272393 /nfs/dbraw/zinc/27/23/93/168272393.db2.gz ILNBYLMWHBLDTE-LLVKDONJSA-N 1 0 177.247 2.105 50 0 in-vitro AEAARO COc1cccc([C@H]2[NH2+]CCS2)c1 33855257 168272427 /nfs/dbraw/zinc/27/24/27/168272427.db2.gz MAZFHPGDLDKIHS-JTQLQIEISA-N 1 0 195.287 2.030 50 0 AEAARO COc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)c1 3704282 168272529 /nfs/dbraw/zinc/27/25/29/168272529.db2.gz QOAKBLCGJMYVEY-SKDRFNHKSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1cccc([C@H]2CCC[NH2+]2)c1 3732262 168272706 /nfs/dbraw/zinc/27/27/06/168272706.db2.gz QGKFYRMABWIOIW-LLVKDONJSA-N 1 0 177.247 2.120 50 0 in-vitro AEAARO COc1cccc([C@H]2CCC[NH2+]C2)c1 2512933 168272816 /nfs/dbraw/zinc/27/28/16/168272816.db2.gz LXCUAFVVTHZALS-NSHDSACASA-N 1 0 191.274 2.162 50 0 in-vitro AEAARO COc1cccc([C@H]2C[C@H](C)C[NH2+]2)c1 3704283 168272968 /nfs/dbraw/zinc/27/29/68/168272968.db2.gz QOAKBLCGJMYVEY-JOYOIKCWSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1cccc([C@H](C)[NH+](C)C)c1 34402091 168272970 /nfs/dbraw/zinc/27/29/70/168272970.db2.gz KFKCIWQNLGOHOA-VIFPVBQESA-N 1 0 179.263 2.318 50 0 AEAARO COc1cccc([C@@H]2C[C@H](C)C[NH2+]2)c1 3704281 168273168 /nfs/dbraw/zinc/27/31/68/168273168.db2.gz QOAKBLCGJMYVEY-CABZTGNLSA-N 1 0 191.274 2.366 50 0 in-vitro AEAARO COc1cccc([C@@H]2[NH2+]CCS2)c1 33855255 168273273 /nfs/dbraw/zinc/27/32/73/168273273.db2.gz MAZFHPGDLDKIHS-SNVBAGLBSA-N 1 0 195.287 2.030 50 0 AEAARO COc1cccc2c1CCC[C@H]2[NH3+] 5734168 168274400 /nfs/dbraw/zinc/27/44/00/168274400.db2.gz WGLJGXBRZQHFBR-SNVBAGLBSA-N 1 0 177.247 2.031 50 0 AEAARO COc1cccc2c1CCC[C@@H]2[NH3+] 5734156 168274516 /nfs/dbraw/zinc/27/45/16/168274516.db2.gz WGLJGXBRZQHFBR-JTQLQIEISA-N 1 0 177.247 2.031 50 0 AEAARO COc1cccc2cc([C@H](C)[NH3+])oc12 3705350 168275909 /nfs/dbraw/zinc/27/59/09/168275909.db2.gz PFEISIOSEZWORR-ZETCQYMHSA-N 1 0 191.230 2.461 50 0 in-vitro AEAARO COc1cccc2cc([C@@H](C)[NH3+])oc12 3705351 168276118 /nfs/dbraw/zinc/27/61/18/168276118.db2.gz PFEISIOSEZWORR-SSDOTTSWSA-N 1 0 191.230 2.461 50 0 in-vitro AEAARO COc1ccccc1[C@@H]1CCC[NH2+]1 2582570 168277260 /nfs/dbraw/zinc/27/72/60/168277260.db2.gz DSRDQQWHCNKVAV-JTQLQIEISA-N 1 0 177.247 2.120 50 0 in-vitro AEAARO COc1ccccc1[C@H]1CCC[NH2+]C1 14628985 168277671 /nfs/dbraw/zinc/27/76/71/168277671.db2.gz AFHWNVZETLZAGN-JTQLQIEISA-N 1 0 191.274 2.162 50 0 AEAARO COc1ccccc1[C@H]1CCC[NH2+]1 3732216 168278872 /nfs/dbraw/zinc/27/88/72/168278872.db2.gz DSRDQQWHCNKVAV-SNVBAGLBSA-N 1 0 177.247 2.120 50 0 in-vitro AEAARO CSC1(C[NH3+])CCCCC1 82632408 168296406 /nfs/dbraw/zinc/29/64/06/168296406.db2.gz ABFHLLSPDLWJQI-UHFFFAOYSA-N 1 0 159.298 2.011 50 0 AEAARO CSC(=C[n+]1ccccc1)SC 386944 168296610 /nfs/dbraw/zinc/29/66/10/168296610.db2.gz CTIPHILMYHRASM-UHFFFAOYSA-N 1 0 198.336 2.456 50 0 AEAARO CSC1=[NH+]Cc2ccccc2CN1 38874764 168297594 /nfs/dbraw/zinc/29/75/94/168297594.db2.gz SKVUIOMPACTOIL-UHFFFAOYSA-N 1 0 192.287 2.009 50 0 AEAARO CSC[C@@H]([NH3+])c1ccccc1 34079401 168303037 /nfs/dbraw/zinc/30/30/37/168303037.db2.gz XWLILOASTKRWJX-SECBINFHSA-N 1 0 167.277 2.049 50 0 in-vitro AEAARO CSC[n+]1cccc2ccccc21 6259732 168304776 /nfs/dbraw/zinc/30/47/76/168304776.db2.gz ZQPIOFRAIMXVAX-UHFFFAOYSA-N 1 0 190.291 2.448 50 0 AEAARO CSCc1cccc(C[NH3+])c1 38063968 168304867 /nfs/dbraw/zinc/30/48/67/168304867.db2.gz HQUKLCOVUUSNSU-UHFFFAOYSA-N 1 0 167.277 2.008 50 0 in-vitro AEAARO CSCc1ccc(C[NH3+])cc1 38063964 168304982 /nfs/dbraw/zinc/30/49/82/168304982.db2.gz CVMFLJRLXDDACA-UHFFFAOYSA-N 1 0 167.277 2.008 50 0 in-vitro AEAARO CSC[C@H]([NH3+])c1ccccc1 34079400 168305121 /nfs/dbraw/zinc/30/51/21/168305121.db2.gz XWLILOASTKRWJX-VIFPVBQESA-N 1 0 167.277 2.049 50 0 in-vitro AEAARO CSCc1cc(F)ccc1C[NH3+] 74941299 168305395 /nfs/dbraw/zinc/30/53/95/168305395.db2.gz QSTKSEDSGKJDSO-UHFFFAOYSA-N 1 0 185.267 2.147 50 0 AEAARO CSc1cc(C)ccc1C[NH3+] 51581784 168309949 /nfs/dbraw/zinc/30/99/49/168309949.db2.gz TVOUGPNWTKSBAD-UHFFFAOYSA-N 1 0 167.277 2.176 50 0 in-vitro AEAARO CSc1ccc(C[C@@H](C)[NH3+])cc1 6036823 168310344 /nfs/dbraw/zinc/31/03/44/168310344.db2.gz OLEWMKVPSUCNLG-MRVPVSSYSA-N 1 0 181.304 2.298 50 0 in-vivo AEAARO CSc1ccc(C[NH3+])cc1C 38063926 168310476 /nfs/dbraw/zinc/31/04/76/168310476.db2.gz SMGSGMPCSAPFDN-UHFFFAOYSA-N 1 0 167.277 2.176 50 0 in-vitro AEAARO CSc1ccc([C@@H](C)[NH3+])cc1 3705321 168311124 /nfs/dbraw/zinc/31/11/24/168311124.db2.gz YOYGMCGRAMSGSR-SSDOTTSWSA-N 1 0 167.277 2.428 50 0 in-vitro AEAARO CSc1ccc([C@H](C)[NH3+])cc1 3705320 168311230 /nfs/dbraw/zinc/31/12/30/168311230.db2.gz YOYGMCGRAMSGSR-ZETCQYMHSA-N 1 0 167.277 2.428 50 0 in-vitro AEAARO CSc1ccc(C[C@H](C)[NH3+])cc1 6021007 168311396 /nfs/dbraw/zinc/31/13/96/168311396.db2.gz OLEWMKVPSUCNLG-QMMMGPOBSA-N 1 0 181.304 2.298 50 0 in-vivo AEAARO CSc1ccc(F)cc1C[NH3+] 71790841 168311416 /nfs/dbraw/zinc/31/14/16/168311416.db2.gz OADLKBJGOHBNGI-UHFFFAOYSA-N 1 0 171.240 2.006 50 0 in-vitro AEAARO CSc1ccccc1C[C@@H](C)[NH3+] 44461587 168312012 /nfs/dbraw/zinc/31/20/12/168312012.db2.gz VGKAKJXMHGNTFY-MRVPVSSYSA-N 1 0 181.304 2.298 50 0 AEAARO CSc1ccccc1C[C@H](C)[NH3+] 44461586 168312410 /nfs/dbraw/zinc/31/24/10/168312410.db2.gz VGKAKJXMHGNTFY-QMMMGPOBSA-N 1 0 181.304 2.298 50 0 AEAARO CSc1cccc(F)c1C[NH3+] 86476625 168312991 /nfs/dbraw/zinc/31/29/91/168312991.db2.gz OZQJRMFUOXDIOS-UHFFFAOYSA-N 1 0 171.240 2.006 50 0 in-vitro AEAARO CSc1ccccc1[C@@H](C)[NH3+] 38063743 168313128 /nfs/dbraw/zinc/31/31/28/168313128.db2.gz NEDKHXZAHJNUOU-SSDOTTSWSA-N 1 0 167.277 2.428 50 0 AEAARO CSc1ccc2ccccc2[n+]1C 226091 168313151 /nfs/dbraw/zinc/31/31/51/168313151.db2.gz WSGTYHLPPULYTK-UHFFFAOYSA-N 1 0 190.291 2.386 50 0 AEAARO CSc1sc2ccccc2[n+]1C 4530598 168318100 /nfs/dbraw/zinc/31/81/00/168318100.db2.gz IKGZOUOHCCARCC-UHFFFAOYSA-N 1 0 196.320 2.448 50 0 AEAARO C[C@@H](CC[NH3+])CC(C)(C)C 2036143 168337435 /nfs/dbraw/zinc/33/74/35/168337435.db2.gz SIABJTQKCPDDKL-QMMMGPOBSA-N 1 0 143.274 2.408 50 0 in-vitro AEAARO C[C@@H](CC[NH3+])c1ccccc1 11629488 168339941 /nfs/dbraw/zinc/33/99/41/168339941.db2.gz HJMCIHLESAJJQL-VIFPVBQESA-N 1 0 149.237 2.139 50 0 in-vitro AEAARO C[C@@H](C[NH+](C)C)C(=O)c1ccsc1 480769 168340817 /nfs/dbraw/zinc/34/08/17/168340817.db2.gz QSIISOLXWZWFAO-QMMMGPOBSA-N 1 0 197.303 2.129 50 0 AEAARO C[C@@H](C[NH+](C)C)C(=O)c1ccccc1 186018 168342162 /nfs/dbraw/zinc/34/21/62/168342162.db2.gz IBKTXALXQACSRE-JTQLQIEISA-N 1 0 191.274 2.067 50 0 in-vitro AEAARO C[C@@H](C[NH3+])c1ccc(F)cc1F 37245814 168344597 /nfs/dbraw/zinc/34/45/97/168344597.db2.gz CYNSQWDKXKQAFJ-LURJTMIESA-N 1 0 171.190 2.027 50 0 in-vitro AEAARO C[C@@H](C[NH3+])c1cc(F)cc(F)c1 41168395 168344851 /nfs/dbraw/zinc/34/48/51/168344851.db2.gz YJZOCDWAOXJRTK-LURJTMIESA-N 1 0 171.190 2.027 50 0 AEAARO C[C@@H](C[NH3+])Sc1ccccc1 49934292 168344939 /nfs/dbraw/zinc/34/49/39/168344939.db2.gz GEWLMDUFZJLYOD-QMMMGPOBSA-N 1 0 167.277 2.126 50 0 in-vitro AEAARO C[C@@H](C[NH3+])c1c[nH]c2cc(F)ccc12 1627055 168345082 /nfs/dbraw/zinc/34/50/82/168345082.db2.gz KJGOEBPCOOEHSG-ZETCQYMHSA-N 1 0 192.237 2.369 50 0 in-vitro AEAARO C[C@@H](C[NH3+])Oc1ccc(Cl)cc1 11946384 168345091 /nfs/dbraw/zinc/34/50/91/168345091.db2.gz UCZNOIBVNALPSU-ZETCQYMHSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO C[C@@H](C[NH3+])Oc1cccc(Cl)c1 49832504 168345148 /nfs/dbraw/zinc/34/51/48/168345148.db2.gz OQUPPUVKQSGOEL-ZETCQYMHSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO C[C@@H](C[NH3+])Oc1ccccc1Cl 11946123 168345324 /nfs/dbraw/zinc/34/53/24/168345324.db2.gz JXMKQIVAKQTVJV-ZETCQYMHSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO C[C@@H](C[NH3+])c1ccc(F)c(F)c1 37245819 168345365 /nfs/dbraw/zinc/34/53/65/168345365.db2.gz KGRMFVYVHCPFET-LURJTMIESA-N 1 0 171.190 2.027 50 0 in-vitro AEAARO C[C@@H](C[NH3+])c1ccc(Cl)cc1 402804 168345507 /nfs/dbraw/zinc/34/55/07/168345507.db2.gz FLACJAGRDZAFJF-ZETCQYMHSA-N 1 0 169.655 2.402 50 0 in-vitro AEAARO C[C@@H](C[NH3+])c1nc2ccccc2s1 39947547 168347446 /nfs/dbraw/zinc/34/74/46/168347446.db2.gz WIIVAHYWRITMRE-ZETCQYMHSA-N 1 0 192.287 2.359 50 0 AEAARO C[C@@H](Cc1ccccc1)[NH+](C)C 1482036 168354995 /nfs/dbraw/zinc/35/49/95/168354995.db2.gz OBDSVYOSYSKVMX-JTQLQIEISA-N 1 0 163.264 2.179 50 0 world AEAARO C[C@@H]([NH3+])/C=C/c1ccccc1 6032399 168357536 /nfs/dbraw/zinc/35/75/36/168357536.db2.gz QPVUUOXSCVQZQG-FCZSHJHJSA-N 1 0 147.221 2.047 50 0 AEAARO C[C@@H]([NH3+])C1CCCCCC1 82409847 168359678 /nfs/dbraw/zinc/35/96/78/168359678.db2.gz HUDZCDVZYRHSNT-MRVPVSSYSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO C[C@@H]([NH3+])CC1=CCCCC1 8614855 168360237 /nfs/dbraw/zinc/36/02/37/168360237.db2.gz YLEJNHKGVADOTF-MRVPVSSYSA-N 1 0 139.242 2.224 50 0 AEAARO C[C@@H]([NH3+])CCC(C)(C)C 44461524 168360511 /nfs/dbraw/zinc/36/05/11/168360511.db2.gz DRVYQZPUPGQDQY-SSDOTTSWSA-N 1 0 129.247 2.160 50 0 in-vitro AEAARO C[C@@H]([NH3+])C(C)(C)c1ccccc1 37024135 168360584 /nfs/dbraw/zinc/36/05/84/168360584.db2.gz HVPWOEYQHJCIKP-SECBINFHSA-N 1 0 163.264 2.311 50 0 in-vitro AEAARO C[C@@H]([NH3+])C1CCC(F)(F)CC1 139531936 168360863 /nfs/dbraw/zinc/36/08/63/168360863.db2.gz PQXBNSCUACNFMG-ZCFIWIBFSA-N 1 0 163.211 2.159 50 0 AEAARO C[C@@H]([NH3+])C1(c2ccccc2)CCC1 62781606 168361075 /nfs/dbraw/zinc/36/10/75/168361075.db2.gz JNGVYSROFDKZSF-SNVBAGLBSA-N 1 0 175.275 2.456 50 0 AEAARO C[C@@H]([NH3+])CCC1CCCC1 48733102 168361089 /nfs/dbraw/zinc/36/10/89/168361089.db2.gz OQJXKOJEDVTBEB-MRVPVSSYSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO C[C@@H]([NH3+])CCCC(F)(F)F 44411696 168361143 /nfs/dbraw/zinc/36/11/43/168361143.db2.gz CVPCWYGEOMFJGE-RXMQYKEDSA-N 1 0 155.163 2.066 50 0 in-vitro AEAARO C[C@@H]([NH3+])CC1CCCCC1 896985 168361193 /nfs/dbraw/zinc/36/11/93/168361193.db2.gz GIXSTBOIKJPUKD-MRVPVSSYSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO C[C@@H]([NH3+])CCc1ccc(F)cc1 4997817 168362146 /nfs/dbraw/zinc/36/21/46/168362146.db2.gz LRNPPJJSSVMFNU-MRVPVSSYSA-N 1 0 167.227 2.106 50 0 AEAARO C[C@@H]([NH3+])CCc1ccc(F)c(F)c1 57218700 168362326 /nfs/dbraw/zinc/36/23/26/168362326.db2.gz TVJUZDQYBVCQIX-SSDOTTSWSA-N 1 0 185.217 2.245 50 0 in-vitro AEAARO C[C@@H]([NH3+])CCc1cccc(F)c1 28313699 168362900 /nfs/dbraw/zinc/36/29/00/168362900.db2.gz CBTPZQTYRUCYFI-MRVPVSSYSA-N 1 0 167.227 2.106 50 0 in-vitro AEAARO C[C@@H]([NH3+])CCCc1ccccc1 4997811 168362926 /nfs/dbraw/zinc/36/29/26/168362926.db2.gz RFKNDRWCBBUQAB-SNVBAGLBSA-N 1 0 163.264 2.357 50 0 AEAARO C[C@@H]([NH3+])CCCCc1ccco1 2025143 168363134 /nfs/dbraw/zinc/36/31/34/168363134.db2.gz USHYOUHIULPRTN-SECBINFHSA-N 1 0 167.252 2.340 50 0 AEAARO C[C@@H]([NH3+])CCc1ccccc1F 28313691 168363417 /nfs/dbraw/zinc/36/34/17/168363417.db2.gz PCVGTQIIFTVRGT-MRVPVSSYSA-N 1 0 167.227 2.106 50 0 AEAARO C[C@@H]([NH3+])Cc1cccc2ccoc12 34278961 168363954 /nfs/dbraw/zinc/36/39/54/168363954.db2.gz YVMDMFRZSDUZLK-MRVPVSSYSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1ccc2ccccc2n1 26516253 168364049 /nfs/dbraw/zinc/36/40/49/168364049.db2.gz HQWPUEXBWBCCAS-SECBINFHSA-N 1 0 186.258 2.125 50 0 AEAARO C[C@@H]([NH3+])Cc1ccc2[nH]ccc2c1 44410165 168364062 /nfs/dbraw/zinc/36/40/62/168364062.db2.gz AULGMISRJWGTBA-MRVPVSSYSA-N 1 0 174.247 2.058 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1cc2ccccc2o1 6494125 168364071 /nfs/dbraw/zinc/36/40/71/168364071.db2.gz QGLBWEFCBFEAPH-MRVPVSSYSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@@H]([NH3+])CSCc1ccccc1 3631185 168364106 /nfs/dbraw/zinc/36/41/06/168364106.db2.gz YBXUPVOPTJSFNL-SECBINFHSA-N 1 0 181.304 2.267 50 0 AEAARO C[C@@H]([NH3+])Cc1cn(C)c2ccccc12 204378 168364323 /nfs/dbraw/zinc/36/43/23/168364323.db2.gz JCKSLVLEMICSDG-SECBINFHSA-N 1 0 188.274 2.068 50 0 AEAARO C[C@@H]([NH3+])Cc1ccc(Cl)s1 1996239 168364349 /nfs/dbraw/zinc/36/43/49/168364349.db2.gz KBRSVPQQFOBHLK-RXMQYKEDSA-N 1 0 175.684 2.291 50 0 AEAARO C[C@@H]([NH3+])COc1ccc(Cl)cc1 4511154 168364453 /nfs/dbraw/zinc/36/44/53/168364453.db2.gz ABUVVMITUVCSDX-SSDOTTSWSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1ccc2ccoc2c1 33961825 168364464 /nfs/dbraw/zinc/36/44/64/168364464.db2.gz FQDAMYLMQQKPRX-MRVPVSSYSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1ccc(Cl)cc1 120261 168364754 /nfs/dbraw/zinc/36/47/54/168364754.db2.gz WWPITPSIWMXDPE-SSDOTTSWSA-N 1 0 169.655 2.230 50 0 in-vivo AEAARO C[C@@H]([NH3+])Cc1ccc2cc[nH]c2c1 2015705 168364758 /nfs/dbraw/zinc/36/47/58/168364758.db2.gz QCFIFKAOUKPFPU-MRVPVSSYSA-N 1 0 174.247 2.058 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 404451 168364811 /nfs/dbraw/zinc/36/48/11/168364811.db2.gz QSQQQURBVYWZKJ-MRVPVSSYSA-N 1 0 174.247 2.058 50 0 biogenic,in-man AEAARO C[C@@H]([NH3+])Cc1ccc2c(c1)CCC2 3651180 168364881 /nfs/dbraw/zinc/36/48/81/168364881.db2.gz QYVNZHBQYJRLEX-SECBINFHSA-N 1 0 175.275 2.065 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1ccccc1Cl 6036872 168364984 /nfs/dbraw/zinc/36/49/84/168364984.db2.gz IQHHOHJDIZRBGM-SSDOTTSWSA-N 1 0 169.655 2.230 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1ccc2occc2c1 33978783 168365071 /nfs/dbraw/zinc/36/50/71/168365071.db2.gz VKUMKUZDZWHMQU-MRVPVSSYSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1cccc(Cl)c1 11596632 168365124 /nfs/dbraw/zinc/36/51/24/168365124.db2.gz ORWQJKNRYUIFJU-SSDOTTSWSA-N 1 0 169.655 2.230 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1cccc2occc12 34278959 168365135 /nfs/dbraw/zinc/36/51/35/168365135.db2.gz XROLBZOMVNMIFN-MRVPVSSYSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@@H]([NH3+])Cc1c[nH]c2ccc(F)cc12 57323 168365144 /nfs/dbraw/zinc/36/51/44/168365144.db2.gz CTGFDWBZMCPVED-SSDOTTSWSA-N 1 0 192.237 2.197 50 0 AEAARO C[C@@H]([NH3+])Cc1nc2ccccc2s1 26516476 168366842 /nfs/dbraw/zinc/36/68/42/168366842.db2.gz KMRRDPCZPJICFO-SSDOTTSWSA-N 1 0 192.287 2.186 50 0 AEAARO C[C@@H]([NH3+])[C@@H]1CC2CCC1CC2 75540492 168367141 /nfs/dbraw/zinc/36/71/41/168367141.db2.gz CXRZYSGSUFFRAW-WOOKNIGNSA-N 1 0 153.269 2.160 50 0 AEAARO C[C@@H]([NH3+])[C@H]1CCCc2ccccc21 39111410 168367548 /nfs/dbraw/zinc/36/75/48/168367548.db2.gz JBAVTFHQSFAWBO-MWLCHTKSSA-N 1 0 175.275 2.454 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1c(F)cccc1Cl 39952107 168368104 /nfs/dbraw/zinc/36/81/04/168368104.db2.gz WLQXZWHHERXWHA-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])[C@H](C)c1ccccc1 1670065 168368574 /nfs/dbraw/zinc/36/85/74/168368574.db2.gz BKRHEVJTTWAYFJ-DTWKUNHWSA-N 1 0 149.237 2.137 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1c[nH]c2ccccc12 11920652 168368611 /nfs/dbraw/zinc/36/86/11/168368611.db2.gz VBNMNLNTLNOVIT-SSDOTTSWSA-N 1 0 160.220 2.188 50 0 in-vitro AEAARO C[C@@H]([NH3+])[C@@H]1CCCc2ccccc21 39111408 168368900 /nfs/dbraw/zinc/36/89/00/168368900.db2.gz JBAVTFHQSFAWBO-KOLCDFICSA-N 1 0 175.275 2.454 50 0 in-vitro AEAARO C[C@@H]([NH3+])[C@H]1CC2CCC1CC2 75540496 168369034 /nfs/dbraw/zinc/36/90/34/168369034.db2.gz CXRZYSGSUFFRAW-SEZDTBSWSA-N 1 0 153.269 2.160 50 0 AEAARO C[C@@H]([NH3+])c1cccc(F)c1Cl 83591434 168369436 /nfs/dbraw/zinc/36/94/36/168369436.db2.gz QRNVGMYCAUROPJ-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 AEAARO C[C@@H]([NH3+])c1cccc(Cl)c1F 39951975 168369454 /nfs/dbraw/zinc/36/94/54/168369454.db2.gz SCEUCESYXQXKOY-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cccc(N2CCCC2)c1 74941696 168369522 /nfs/dbraw/zinc/36/95/22/168369522.db2.gz AISTVZGIGYAOLQ-SNVBAGLBSA-N 1 0 190.290 2.307 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(OC(F)F)cc1 12401879 168369561 /nfs/dbraw/zinc/36/95/61/168369561.db2.gz RTLQRHINHVOHHH-ZCFIWIBFSA-N 1 0 187.189 2.308 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cccc(Cl)c1 3389518 168369587 /nfs/dbraw/zinc/36/95/87/168369587.db2.gz DQEYVZASLGNODG-ZCFIWIBFSA-N 1 0 155.628 2.360 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cccc(-n2cccc2)c1 2732076 168369869 /nfs/dbraw/zinc/36/98/69/168369869.db2.gz MRPLWYVUULIYMY-SNVBAGLBSA-N 1 0 186.258 2.497 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc2ncsc2c1 82397693 168369894 /nfs/dbraw/zinc/36/98/94/168369894.db2.gz ZOWXJJFJILFTCE-ZCFIWIBFSA-N 1 0 178.260 2.316 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc2[nH]ccc2c1 5723113 168369990 /nfs/dbraw/zinc/36/99/90/168369990.db2.gz IRGHGODKKCDIFK-SSDOTTSWSA-N 1 0 160.220 2.188 50 0 biogenic,in-vitro AEAARO C[C@@H]([NH3+])c1cc2ccccc2o1 3705343 168370005 /nfs/dbraw/zinc/37/00/05/168370005.db2.gz KJCGVGWCEJJQSW-SSDOTTSWSA-N 1 0 161.204 2.453 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(Cl)c(F)c1 44560039 168370035 /nfs/dbraw/zinc/37/00/35/168370035.db2.gz SRVZZCBLNXFARS-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cc(F)cc(Cl)c1 39952108 168370167 /nfs/dbraw/zinc/37/01/67/168370167.db2.gz BVVJDCFVSXSRBB-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(-n2cccc2)cc1 2731945 168370193 /nfs/dbraw/zinc/37/01/93/168370193.db2.gz LMLXFODTRVVPKY-SNVBAGLBSA-N 1 0 186.258 2.497 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(-c2cncnc2)cc1 52886561 168370277 /nfs/dbraw/zinc/37/02/77/168370277.db2.gz AEJFWHRDKIKKDQ-SECBINFHSA-N 1 0 199.257 2.163 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(Cl)cc1F 62785923 168370304 /nfs/dbraw/zinc/37/03/04/168370304.db2.gz SDXKAEMBENYOFO-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 AEAARO C[C@@H]([NH3+])c1ccc(Cl)s1 3705314 168370392 /nfs/dbraw/zinc/37/03/92/168370392.db2.gz POVBCAPIAGIBEW-SCSAIBSYSA-N 1 0 161.657 2.421 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(F)cc1Cl 12506514 168370405 /nfs/dbraw/zinc/37/04/05/168370405.db2.gz JTMGFESJCXOUCW-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 20078287 168370535 /nfs/dbraw/zinc/37/05/35/168370535.db2.gz QHARBBFZGIDKLK-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cc2ccccc2[nH]1 78677557 168370624 /nfs/dbraw/zinc/37/06/24/168370624.db2.gz QUERAHCHJWZYJF-SSDOTTSWSA-N 1 0 160.220 2.188 50 0 AEAARO C[C@@H]([NH3+])c1ccc2c(c1)CCCO2 11729973 168370765 /nfs/dbraw/zinc/37/07/65/168370765.db2.gz WLBMOPWNFNFERN-MRVPVSSYSA-N 1 0 177.247 2.031 50 0 AEAARO C[C@@H]([NH3+])c1ccc2c(c1)CCC2 4944071 168370810 /nfs/dbraw/zinc/37/08/10/168370810.db2.gz AIZOWKLMMYHPJI-MRVPVSSYSA-N 1 0 161.248 2.195 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 43392177 168370813 /nfs/dbraw/zinc/37/08/13/168370813.db2.gz QWYPAKQHZBBLFE-SCSAIBSYSA-N 1 0 175.153 2.124 50 0 AEAARO C[C@@H]([NH3+])c1ccc(C(F)(F)F)cn1 95755921 168370957 /nfs/dbraw/zinc/37/09/57/168370957.db2.gz BOHFCACEJMSLFB-RXMQYKEDSA-N 1 0 190.168 2.120 50 0 AEAARO C[C@@H]([NH3+])c1ccc(C(F)(F)F)nc1 20445218 168370978 /nfs/dbraw/zinc/37/09/78/168370978.db2.gz HBSGXPCKIDZNIF-RXMQYKEDSA-N 1 0 190.168 2.120 50 0 AEAARO C[C@@H]([NH3+])c1cc(Cl)ccc1F 39951976 168371016 /nfs/dbraw/zinc/37/10/16/168371016.db2.gz ZZXFFISCWUZQPY-RXMQYKEDSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cc(-c2ccccc2)on1 83409272 168371046 /nfs/dbraw/zinc/37/10/46/168371046.db2.gz IHUJKBJQQBXPNV-MRVPVSSYSA-N 1 0 188.230 2.361 50 0 AEAARO C[C@@H]([NH3+])c1ccc(Cl)cc1 2047916 168371091 /nfs/dbraw/zinc/37/10/91/168371091.db2.gz PINPOEWMCLFRRB-ZCFIWIBFSA-N 1 0 155.628 2.360 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccnc(C(F)(F)F)c1 88189835 168371286 /nfs/dbraw/zinc/37/12/86/168371286.db2.gz HINKKEGFYGRYTJ-RXMQYKEDSA-N 1 0 190.168 2.120 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1csc(Cl)c1 75085241 168371541 /nfs/dbraw/zinc/37/15/41/168371541.db2.gz SAQCVDJQOQOHIT-SCSAIBSYSA-N 1 0 161.657 2.421 50 0 AEAARO C[C@@H]([NH3+])c1nc(C(C)(C)C)cs1 3709137 168371842 /nfs/dbraw/zinc/37/18/42/168371842.db2.gz FLWXMRRARGBNSW-ZCFIWIBFSA-N 1 0 184.308 2.460 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1csc(C2CC2)n1 41627834 168372021 /nfs/dbraw/zinc/37/20/21/168372021.db2.gz SUBNTGXHPLIXMA-RXMQYKEDSA-N 1 0 168.265 2.040 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cccc2cccnc12 38888194 168372040 /nfs/dbraw/zinc/37/20/40/168372040.db2.gz JNGWMTGFGBBLEE-MRVPVSSYSA-N 1 0 172.231 2.255 50 0 AEAARO C[C@@H]([NH3+])c1cccc2ncccc12 20441510 168372078 /nfs/dbraw/zinc/37/20/78/168372078.db2.gz ZLEHAUWQPBCLBY-MRVPVSSYSA-N 1 0 172.231 2.255 50 0 AEAARO C[C@@H]([NH3+])c1cn(C)c2ccccc12 11920654 168372101 /nfs/dbraw/zinc/37/21/01/168372101.db2.gz JIKMCZHPLQRBBE-MRVPVSSYSA-N 1 0 174.247 2.198 50 0 AEAARO C[C@@H]([NH3+])c1cccc2cnccc12 20418139 168372224 /nfs/dbraw/zinc/37/22/24/168372224.db2.gz QPDOKFBCSKHSEX-MRVPVSSYSA-N 1 0 172.231 2.255 50 0 AEAARO C[C@@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 11567885 168372273 /nfs/dbraw/zinc/37/22/73/168372273.db2.gz CJBPHHBATSLCHJ-RXMQYKEDSA-N 1 0 195.653 2.236 50 0 AEAARO C[C@@H]([NH3+])c1nc(C(F)(F)F)cs1 20438847 168372422 /nfs/dbraw/zinc/37/24/22/168372422.db2.gz DQIGJGIEPDJZDR-GSVOUGTGSA-N 1 0 196.197 2.182 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccccc1OC(F)F 3184550 168372509 /nfs/dbraw/zinc/37/25/09/168372509.db2.gz XZXJJKFVKBSRME-ZCFIWIBFSA-N 1 0 187.189 2.308 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cccc2cc[nH]c12 82850202 168372603 /nfs/dbraw/zinc/37/26/03/168372603.db2.gz PFUMIOHIKRRVEE-SSDOTTSWSA-N 1 0 160.220 2.188 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1coc2ccccc12 82405088 168372696 /nfs/dbraw/zinc/37/26/96/168372696.db2.gz IMDAWZCPOGRWLC-SSDOTTSWSA-N 1 0 161.204 2.453 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1ccccc1Cl 3389509 168372777 /nfs/dbraw/zinc/37/27/77/168372777.db2.gz RJPLGQTZHLRZGX-ZCFIWIBFSA-N 1 0 155.628 2.360 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1nc2c(s1)CCCC2 3708715 168373043 /nfs/dbraw/zinc/37/30/43/168373043.db2.gz XTHNIXNHWPALKL-ZCFIWIBFSA-N 1 0 182.292 2.042 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1cccc(OC(F)F)c1 21949382 168373142 /nfs/dbraw/zinc/37/31/42/168373142.db2.gz KXLKJIXCWFZYIE-ZCFIWIBFSA-N 1 0 187.189 2.308 50 0 in-vitro AEAARO C[C@@H]([NH3+])c1nc(-c2ccccc2)c[nH]1 36323858 168373254 /nfs/dbraw/zinc/37/32/54/168373254.db2.gz XQFMQMXJXWTGON-MRVPVSSYSA-N 1 0 187.246 2.096 50 0 AEAARO C[C@@H]([NH3+])c1nc2ccccc2s1 13425549 168374942 /nfs/dbraw/zinc/37/49/42/168374942.db2.gz LXVJOKQWUUSEEO-ZCFIWIBFSA-N 1 0 178.260 2.316 50 0 in-vitro AEAARO C[C@@H](NC(C)(C)C[NH3+])c1ccccc1 57218618 168377479 /nfs/dbraw/zinc/37/74/79/168377479.db2.gz KQXCVPMSXIJIDD-SNVBAGLBSA-N 1 0 192.306 2.075 50 0 in-vitro AEAARO C[C@@H]([NH2+]C1CC1)c1ccccc1 1618858 168378149 /nfs/dbraw/zinc/37/81/49/168378149.db2.gz IYKMJEUFFZDRLS-SECBINFHSA-N 1 0 161.248 2.500 50 0 in-vitro AEAARO C[C@@H]([NH2+]C1CC1)c1ccc(O)cc1 22141673 168378188 /nfs/dbraw/zinc/37/81/88/168378188.db2.gz OWSOOZXCTUEZHW-MRVPVSSYSA-N 1 0 177.247 2.205 50 0 in-vitro AEAARO C[C@@H]([NH2+]C1CC1)c1ccco1 22219554 168379737 /nfs/dbraw/zinc/37/97/37/168379737.db2.gz KKEABNOYKSGCRM-SSDOTTSWSA-N 1 0 151.209 2.093 50 0 in-vitro AEAARO C[C@@H]([NH2+]Cc1cccc(O)c1)C1CC1 35136513 168382639 /nfs/dbraw/zinc/38/26/39/168382639.db2.gz BCRVUHIMXVHONU-SECBINFHSA-N 1 0 191.274 2.280 50 0 AEAARO C[C@@H]([NH2+]Cc1ccc(O)cc1)C1CC1 35136364 168383080 /nfs/dbraw/zinc/38/30/80/168383080.db2.gz YULPHYARBUTMAS-SECBINFHSA-N 1 0 191.274 2.280 50 0 AEAARO C[C@@H](OCCC[NH3+])c1ccccc1 4218274 168403428 /nfs/dbraw/zinc/40/34/28/168403428.db2.gz FTIIDZXBKULXCC-SNVBAGLBSA-N 1 0 179.263 2.113 50 0 in-vitro AEAARO C[C@@H](c1ccccc1)[NH+](C)C 2032473 168404032 /nfs/dbraw/zinc/40/40/32/168404032.db2.gz BVURNMLGDQYNAF-VIFPVBQESA-N 1 0 149.237 2.309 50 0 endogenous,in-man AEAARO C[C@@H]1CCCC[C@@H]1CC[NH3+] 40541323 168414692 /nfs/dbraw/zinc/41/46/92/168414692.db2.gz BXKLFCREVJPUJY-RKDXNWHRSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 22144322 168414862 /nfs/dbraw/zinc/41/48/62/168414862.db2.gz MQBABLCKMOESHI-SCZZXKLOSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@@H]1CCCC[C@H]1[NH2+]C1CC1 22144326 168418033 /nfs/dbraw/zinc/41/80/33/168418033.db2.gz MQBABLCKMOESHI-PSASIEDQSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@@H]1CCC[C@@H]([NH2+]C2CC2)C1 21956785 168424849 /nfs/dbraw/zinc/42/48/49/168424849.db2.gz CMLXXGUQXTZGFC-PSASIEDQSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@@H]1CCC[C@H]([C@@H](C)[NH3+])C1 44980766 168428249 /nfs/dbraw/zinc/42/82/49/168428249.db2.gz DJOVWJMYDZPCSB-HLTSFMKQSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 32161717 168434223 /nfs/dbraw/zinc/43/42/23/168434223.db2.gz WPBVRISDNZUAEU-UTLUCORTSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@@H]1c1ccccc1 3733553 168435251 /nfs/dbraw/zinc/43/52/51/168435251.db2.gz CWOJBVGDNJVMNZ-KOLCDFICSA-N 1 0 161.248 2.357 50 0 AEAARO C[C@@H]1CC[NH2+][C@@H]1c1cccc(F)c1 3733792 168435416 /nfs/dbraw/zinc/43/54/16/168435416.db2.gz IQQBNOLXXCPPQW-KCJUWKMLSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@@H](c2cccn2C)CC1 4218645 168435759 /nfs/dbraw/zinc/43/57/59/168435759.db2.gz PBOFPZWAILWPJL-WDEREUQCSA-N 1 0 192.306 2.476 50 0 in-vitro AEAARO C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 32161705 168440243 /nfs/dbraw/zinc/44/02/43/168440243.db2.gz FJRLSRUBXMUSOC-UTLUCORTSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@@H]1C[NH2+]CCc2ccc(F)cc21 28128226 168455796 /nfs/dbraw/zinc/45/57/96/168455796.db2.gz TXVNTTRQUFIPMP-MRVPVSSYSA-N 1 0 179.238 2.075 50 0 AEAARO C[C@@H]1C[NH2+]C[C@H]1c1ccccc1 76593976 168457853 /nfs/dbraw/zinc/45/78/53/168457853.db2.gz RNWURHRRQATWCP-MWLCHTKSSA-N 1 0 161.248 2.010 50 0 in-vitro AEAARO C[C@@H]1C[NH2+][C@@H](c2ccccc2F)C1 3704331 168458714 /nfs/dbraw/zinc/45/87/14/168458714.db2.gz HMNRMNSUXLYVTH-GZMMTYOYSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@@H]1C[C@@H]([NH3+])c2ccccc21 19972466 168466617 /nfs/dbraw/zinc/46/66/17/168466617.db2.gz AAYKJFZVFFINFK-GMSGAONNSA-N 1 0 147.221 2.194 50 0 in-vitro AEAARO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[NH2+]1 238857076 168467512 /nfs/dbraw/zinc/46/75/12/168467512.db2.gz YAOVUTLHVSFKBC-QYNIQEEDSA-N 1 0 181.201 2.325 50 0 AEAARO C[C@@H]1C[C@@]1(C[NH3+])c1ccc(F)cc1F 76637185 168471614 /nfs/dbraw/zinc/47/16/14/168471614.db2.gz KZDOWKNIVNQAPR-HQJQHLMTSA-N 1 0 197.228 2.201 50 0 AEAARO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccccc1 19414916 168472315 /nfs/dbraw/zinc/47/23/15/168472315.db2.gz BXYWWPNLOCZWIV-MIMYLULJSA-N 1 0 161.248 2.342 50 0 in-vitro AEAARO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[NH2+]1 238857075 168473083 /nfs/dbraw/zinc/47/30/83/168473083.db2.gz YAOVUTLHVSFKBC-FSDSQADBSA-N 1 0 181.201 2.325 50 0 AEAARO C[C@@H]1C[C@H]([NH3+])c2ccccc21 19972468 168474602 /nfs/dbraw/zinc/47/46/02/168474602.db2.gz AAYKJFZVFFINFK-XCBNKYQSSA-N 1 0 147.221 2.194 50 0 in-vitro AEAARO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccccc1 36998894 168479744 /nfs/dbraw/zinc/47/97/44/168479744.db2.gz BXYWWPNLOCZWIV-FBIMIBRVSA-N 1 0 161.248 2.342 50 0 in-vitro AEAARO C[C@@H]1[NH2+][C@H](C)Cc2cc(F)ccc21 82785487 168486273 /nfs/dbraw/zinc/48/62/73/168486273.db2.gz RFUYINIEGOHIAM-SFYZADRCSA-N 1 0 179.238 2.421 50 0 AEAARO C[C@@H]1[C@@H]([NH3+])C[C@@H]1c1ccccc1 78210749 168491367 /nfs/dbraw/zinc/49/13/67/168491367.db2.gz XQANGUZDPFHVLC-LSJOCFKGSA-N 1 0 161.248 2.137 50 0 AEAARO C[C@@]1(c2c(F)cccc2F)CC[NH2+]C1 51955022 168502911 /nfs/dbraw/zinc/50/29/11/168502911.db2.gz OOKXCWYOWWCFGF-LLVKDONJSA-N 1 0 197.228 2.216 50 0 AEAARO C[C@@]1(c2cccc(F)c2)CC[NH2+]C1 51955289 168504098 /nfs/dbraw/zinc/50/40/98/168504098.db2.gz PPYDNZUIGTWREI-LLVKDONJSA-N 1 0 179.238 2.077 50 0 AEAARO C[C@@]1(c2ccccc2Cl)C[C@@H]1[NH3+] 52126481 168505015 /nfs/dbraw/zinc/50/50/15/168505015.db2.gz QKTFYTDULQXOHA-UWVGGRQHSA-N 1 0 181.666 2.329 50 0 in-vitro AEAARO C[C@H](C[NH3+])c1ccc(F)cc1F 37245817 168531711 /nfs/dbraw/zinc/53/17/11/168531711.db2.gz CYNSQWDKXKQAFJ-ZCFIWIBFSA-N 1 0 171.190 2.027 50 0 in-vitro AEAARO C[C@H](C[NH3+])c1nc2ccccc2s1 39947548 168531894 /nfs/dbraw/zinc/53/18/94/168531894.db2.gz WIIVAHYWRITMRE-SSDOTTSWSA-N 1 0 192.287 2.359 50 0 AEAARO C[C@H](C[NH3+])Oc1cccc(Cl)c1 49832506 168532435 /nfs/dbraw/zinc/53/24/35/168532435.db2.gz OQUPPUVKQSGOEL-SSDOTTSWSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO C[C@H](C[NH3+])c1ccc(F)c(F)c1 37245821 168532523 /nfs/dbraw/zinc/53/25/23/168532523.db2.gz KGRMFVYVHCPFET-ZCFIWIBFSA-N 1 0 171.190 2.027 50 0 in-vitro AEAARO C[C@H]([NH3+])CC1=CCCCC1 4538763 168547489 /nfs/dbraw/zinc/54/74/89/168547489.db2.gz YLEJNHKGVADOTF-QMMMGPOBSA-N 1 0 139.242 2.224 50 0 AEAARO C[C@H]([NH3+])CCC(C)(C)C 44461523 168547708 /nfs/dbraw/zinc/54/77/08/168547708.db2.gz DRVYQZPUPGQDQY-ZETCQYMHSA-N 1 0 129.247 2.160 50 0 in-vitro AEAARO C[C@H]([NH3+])CCc1ccc(F)c(F)c1 57218699 168548575 /nfs/dbraw/zinc/54/85/75/168548575.db2.gz TVJUZDQYBVCQIX-ZETCQYMHSA-N 1 0 185.217 2.245 50 0 in-vitro AEAARO C[C@H]([NH3+])CSCc1ccccc1 1718883 168549624 /nfs/dbraw/zinc/54/96/24/168549624.db2.gz YBXUPVOPTJSFNL-VIFPVBQESA-N 1 0 181.304 2.267 50 0 AEAARO C[C@H]([NH3+])Cc1ccc2[nH]ccc2c1 44410162 168550455 /nfs/dbraw/zinc/55/04/55/168550455.db2.gz AULGMISRJWGTBA-QMMMGPOBSA-N 1 0 174.247 2.058 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1ccc2ccoc2c1 33961824 168550605 /nfs/dbraw/zinc/55/06/05/168550605.db2.gz FQDAMYLMQQKPRX-QMMMGPOBSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1ccc2ccccc2n1 26516255 168550734 /nfs/dbraw/zinc/55/07/34/168550734.db2.gz HQWPUEXBWBCCAS-VIFPVBQESA-N 1 0 186.258 2.125 50 0 AEAARO C[C@H]([NH3+])Cc1nc2ccccc2s1 26516477 168550903 /nfs/dbraw/zinc/55/09/03/168550903.db2.gz KMRRDPCZPJICFO-ZETCQYMHSA-N 1 0 192.287 2.186 50 0 AEAARO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccccc1 20594631 168552191 /nfs/dbraw/zinc/55/21/91/168552191.db2.gz VDXNKYRHOGJFPI-INTQDDNPSA-N 1 0 161.248 2.137 50 0 in-vitro AEAARO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccccc1 20594633 168554081 /nfs/dbraw/zinc/55/40/81/168554081.db2.gz VDXNKYRHOGJFPI-JMJZKYOTSA-N 1 0 161.248 2.137 50 0 in-vitro AEAARO C[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1 82815832 168554284 /nfs/dbraw/zinc/55/42/84/168554284.db2.gz DJOVWJMYDZPCSB-VGMNWLOBSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@H]([NH3+])c1ccc(-n2cccc2)cc1 2534293 168554608 /nfs/dbraw/zinc/55/46/08/168554608.db2.gz LMLXFODTRVVPKY-JTQLQIEISA-N 1 0 186.258 2.497 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cc(F)cc(Cl)c1 66325762 168554966 /nfs/dbraw/zinc/55/49/66/168554966.db2.gz BVVJDCFVSXSRBB-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 AEAARO C[C@H]([NH3+])c1ccc(Cl)cc1 1675290 168555067 /nfs/dbraw/zinc/55/50/67/168555067.db2.gz PINPOEWMCLFRRB-LURJTMIESA-N 1 0 155.628 2.360 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc2c(c1)CCC2 4944070 168555938 /nfs/dbraw/zinc/55/59/38/168555938.db2.gz AIZOWKLMMYHPJI-QMMMGPOBSA-N 1 0 161.248 2.195 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccccc1Cl 1697891 168556473 /nfs/dbraw/zinc/55/64/73/168556473.db2.gz RJPLGQTZHLRZGX-LURJTMIESA-N 1 0 155.628 2.360 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cccc(Cl)c1F 51951649 168556491 /nfs/dbraw/zinc/55/64/91/168556491.db2.gz SCEUCESYXQXKOY-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cccc2cnccc12 20418142 168556530 /nfs/dbraw/zinc/55/65/30/168556530.db2.gz QPDOKFBCSKHSEX-QMMMGPOBSA-N 1 0 172.231 2.255 50 0 AEAARO C[C@H]([NH3+])c1ccc2ncsc2c1 82397692 168557302 /nfs/dbraw/zinc/55/73/02/168557302.db2.gz ZOWXJJFJILFTCE-LURJTMIESA-N 1 0 178.260 2.316 50 0 in-vitro AEAARO C[C@H]([NH2+]C1CC1)c1ccc(O)cc1 22141676 168563590 /nfs/dbraw/zinc/56/35/90/168563590.db2.gz OWSOOZXCTUEZHW-QMMMGPOBSA-N 1 0 177.247 2.205 50 0 in-vitro AEAARO C[C@H]([NH2+]Cc1cccc(O)c1)C1CC1 35136511 168568129 /nfs/dbraw/zinc/56/81/29/168568129.db2.gz BCRVUHIMXVHONU-VIFPVBQESA-N 1 0 191.274 2.280 50 0 AEAARO C[C@H](OCCC[NH3+])c1ccccc1 4218273 168588258 /nfs/dbraw/zinc/58/82/58/168588258.db2.gz FTIIDZXBKULXCC-JTQLQIEISA-N 1 0 179.263 2.113 50 0 in-vitro AEAARO C[C@H](SC(N)=[NH2+])c1ccccc1 16577010 168590073 /nfs/dbraw/zinc/59/00/73/168590073.db2.gz IOAUDALBUATIFR-ZETCQYMHSA-N 1 0 180.276 2.374 50 0 AEAARO C[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 70627863 168591653 /nfs/dbraw/zinc/59/16/53/168591653.db2.gz CVYCUUMRCKHGLO-ZYHUDNBSSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]1 39018732 168599316 /nfs/dbraw/zinc/59/93/16/168599316.db2.gz BUWXMIBPXBQJRP-RYUDHWBXSA-N 1 0 196.338 2.003 50 0 in-vitro AEAARO C[C@H]1CCCC[C@@H]1[NH2+]C1CC1 22144325 168602061 /nfs/dbraw/zinc/60/20/61/168602061.db2.gz MQBABLCKMOESHI-WPRPVWTQSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@H]1CCC[C@H](C)[NH+]1CCCCO 19737131 168611133 /nfs/dbraw/zinc/61/11/33/168611133.db2.gz PXKHKDPKKROFIS-QWRGUYRKSA-N 1 0 185.311 2.022 50 0 AEAARO C[C@H]1CCC[C@H]([C@H](C)[NH3+])C1 82815834 168613566 /nfs/dbraw/zinc/61/35/66/168613566.db2.gz DJOVWJMYDZPCSB-CIUDSAMLSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@H]1CC[NH2+][C@@H]1c1cccc(F)c1 3733791 168619587 /nfs/dbraw/zinc/61/95/87/168619587.db2.gz IQQBNOLXXCPPQW-KWQFWETISA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@H]1CCc2ccccc2[C@H]1[NH3+] 34277067 168627883 /nfs/dbraw/zinc/62/78/83/168627883.db2.gz UOTBRMOSRTZZGB-KWQFWETISA-N 1 0 161.248 2.269 50 0 in-vitro AEAARO C[C@H]1C[NH+]=C(CCc2cccs2)N1 44123338 168640536 /nfs/dbraw/zinc/64/05/36/168640536.db2.gz WRNFSLYDOSOVQY-QMMMGPOBSA-N 1 0 194.303 2.071 50 0 AEAARO C[C@H]1C[NH2+][C@H](c2ccccc2F)C1 3704330 168640787 /nfs/dbraw/zinc/64/07/87/168640787.db2.gz HMNRMNSUXLYVTH-KCJUWKMLSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@H]1C[NH2+]C[C@H]1c1ccccc1 76593978 168640984 /nfs/dbraw/zinc/64/09/84/168640984.db2.gz RNWURHRRQATWCP-GXSJLCMTSA-N 1 0 161.248 2.010 50 0 in-vitro AEAARO C[C@H]1C[C@@H](C)CC(C)(C)[NH2+]1 1700268 168646567 /nfs/dbraw/zinc/64/65/67/168646567.db2.gz NGBCPOUXXDBLMT-SFYZADRCSA-N 1 0 141.258 2.173 50 0 AEAARO C[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 4343438 168651394 /nfs/dbraw/zinc/65/13/94/168651394.db2.gz ZGMQLPDXPUINCQ-JGVFFNPUSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@H]1C[C@@H](c2ccsc2)C[NH2+]1 70586653 168653571 /nfs/dbraw/zinc/65/35/71/168653571.db2.gz LOHWQGFZYGZIOQ-IONNQARKSA-N 1 0 167.277 2.214 50 0 in-vitro AEAARO C[C@H]1C[C@@H](c2ccc(F)cc2)C[NH2+]1 68576308 168654244 /nfs/dbraw/zinc/65/42/44/168654244.db2.gz NEEWUTFVPCPKGE-WCBMZHEXSA-N 1 0 179.238 2.291 50 0 AEAARO C[C@H]1C[C@@]1(C[NH3+])c1ccc(F)cc1F 76637187 168656512 /nfs/dbraw/zinc/65/65/12/168656512.db2.gz KZDOWKNIVNQAPR-CPCISQLKSA-N 1 0 197.228 2.201 50 0 AEAARO C[C@H]1C[C@]2(CCC[NH2+]2)C[C@H]1C 245237920 168665184 /nfs/dbraw/zinc/66/51/84/168665184.db2.gz JQXLMQXLNVVUDS-MYJAWHEDSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@H]1Cc2cc([C@@H](C)[NH3+])ccc2O1 6525782 168666857 /nfs/dbraw/zinc/66/68/57/168666857.db2.gz CVNWHOLBLSNSPO-JGVFFNPUSA-N 1 0 177.247 2.030 50 0 in-vitro AEAARO C[C@H]1[NH2+]CC[C@H]1Cc1ccccc1 51957210 168668262 /nfs/dbraw/zinc/66/82/62/168668262.db2.gz POPKDHUVIWNVDS-PWSUYJOCSA-N 1 0 175.275 2.227 50 0 in-vitro AEAARO C[C@H]1c2cc[nH]c2[C@H](C)C[N@@H+]1C 5729944 168680144 /nfs/dbraw/zinc/68/01/44/168680144.db2.gz WVTOBSCFCZZSOE-SFYZADRCSA-N 1 0 164.252 2.125 50 0 AEAARO C[C@H]1[C@H]([NH3+])C[C@@H]2C[C@H]1C2(C)C 12953461 168680189 /nfs/dbraw/zinc/68/01/89/168680189.db2.gz VPTSZLVPZCTAHZ-BZNPZCIMSA-N 1 0 153.269 2.016 50 0 AEAARO C[C@]1(C[NH3+])CCCc2ccccc21 54637412 168685431 /nfs/dbraw/zinc/68/54/31/168685431.db2.gz SUIXJECFFZGKML-GFCCVEGCSA-N 1 0 175.275 2.239 50 0 AEAARO C[C@]1(Cc2ccccc2)CC[NH2+]C1 62181486 168686783 /nfs/dbraw/zinc/68/67/83/168686783.db2.gz OIPKYGFIHKAGAC-GFCCVEGCSA-N 1 0 175.275 2.229 50 0 AEAARO C[C@]1(c2c(F)cccc2F)CC[NH2+]C1 51955021 168689674 /nfs/dbraw/zinc/68/96/74/168689674.db2.gz OOKXCWYOWWCFGF-NSHDSACASA-N 1 0 197.228 2.216 50 0 AEAARO C[C@]1(c2cccc(F)c2)CC[NH2+]C1 51955288 168689714 /nfs/dbraw/zinc/68/97/14/168689714.db2.gz PPYDNZUIGTWREI-NSHDSACASA-N 1 0 179.238 2.077 50 0 AEAARO C[C@]12CCCC[C@H]1[NH2+]CCC2 34581471 168691358 /nfs/dbraw/zinc/69/13/58/168691358.db2.gz MBQXXEKLNYIWMP-NXEZZACHSA-N 1 0 153.269 2.319 50 0 AEAARO C[N+]1=Cc2ccccc2CC1(C)C 3882868 168693669 /nfs/dbraw/zinc/69/36/69/168693669.db2.gz OSFAXRHMKYCJHW-UHFFFAOYSA-N 1 0 174.267 2.083 50 0 biogenic AEAARO C[n+]1ccccc1Cc1ccccc1 3161357 168695793 /nfs/dbraw/zinc/69/57/93/168695793.db2.gz WRYLOTROKNIYQD-UHFFFAOYSA-N 1 0 184.262 2.102 50 0 AEAARO C[n+]1ccccc1[C@@H](F)C(F)(F)F 3167790 168696091 /nfs/dbraw/zinc/69/60/91/168696091.db2.gz BWMPBVLRZHIEKH-SSDOTTSWSA-N 1 0 194.151 2.084 50 0 AEAARO C[n+]1ccsc1-c1ccccc1 1462958 168696554 /nfs/dbraw/zinc/69/65/54/168696554.db2.gz LAVTXUMUPTWTSW-UHFFFAOYSA-N 1 0 176.264 2.240 50 0 AEAARO C[n+]1ccccc1/C=C/c1ccco1 4118328 168696564 /nfs/dbraw/zinc/69/65/64/168696564.db2.gz QQEQPEHSGBXCPX-BQYQJAHWSA-N 1 0 186.234 2.275 50 0 AEAARO Cc1[nH]c2ccc(C[NH3+])cc2c1C 142398 168699045 /nfs/dbraw/zinc/69/90/45/168699045.db2.gz FHUICSFKWZVPSM-UHFFFAOYSA-N 1 0 174.247 2.243 50 0 biogenic,in-vitro AEAARO Cc1[nH]c2ccc(F)cc2c1CC[NH3+] 140728 168699434 /nfs/dbraw/zinc/69/94/34/168699434.db2.gz AXXQDWYYFLLDCG-UHFFFAOYSA-N 1 0 192.237 2.117 50 0 in-vitro AEAARO Cc1cc(C)c2c(c1)CC[C@H]2[NH3+] 43393143 168740892 /nfs/dbraw/zinc/74/08/92/168740892.db2.gz UXBDKBXKHILSEV-SNVBAGLBSA-N 1 0 161.248 2.249 50 0 AEAARO Cc1cc(C)c2c(c1)CC[C@@H]2[NH3+] 43393141 168741629 /nfs/dbraw/zinc/74/16/29/168741629.db2.gz UXBDKBXKHILSEV-JTQLQIEISA-N 1 0 161.248 2.249 50 0 AEAARO Cc1cc(C)cc(O[C@@H]2CC[NH2+]C2)c1 14632204 168744862 /nfs/dbraw/zinc/74/48/62/168744862.db2.gz LLHBTDHTSIXRDY-LLVKDONJSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1cc(C)cc([C@H](C)[NH3+])c1 37746147 168745197 /nfs/dbraw/zinc/74/51/97/168745197.db2.gz BWGRGXSRUZMWFO-VIFPVBQESA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1cc(C)cc([C@@H](C)[NH3+])c1 37746146 168745302 /nfs/dbraw/zinc/74/53/02/168745302.db2.gz BWGRGXSRUZMWFO-SECBINFHSA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1cc(C)cc(C[C@H](C)[NH3+])c1 38077371 168745309 /nfs/dbraw/zinc/74/53/09/168745309.db2.gz GQTBQUZZFQMYHK-JTQLQIEISA-N 1 0 163.264 2.193 50 0 in-vitro AEAARO Cc1cc(C)cc(O[C@H]2CC[NH2+]C2)c1 14632205 168745493 /nfs/dbraw/zinc/74/54/93/168745493.db2.gz LLHBTDHTSIXRDY-NSHDSACASA-N 1 0 191.274 2.044 50 0 AEAARO Cc1cc(C)cc([C@@]2(F)CC[NH2+]C2)c1 158188225 168745967 /nfs/dbraw/zinc/74/59/67/168745967.db2.gz ADHGNNOHHQBYPO-GFCCVEGCSA-N 1 0 193.265 2.462 50 0 in-vitro AEAARO Cc1cc(C)cc([C@]2(F)CC[NH2+]C2)c1 158188095 168747959 /nfs/dbraw/zinc/74/79/59/168747959.db2.gz ADHGNNOHHQBYPO-LBPRGKRZSA-N 1 0 193.265 2.462 50 0 in-vitro AEAARO Cc1cc(CC[NH3+])ccc1Cl 36180000 168752882 /nfs/dbraw/zinc/75/28/82/168752882.db2.gz MPNPFPFKBJLZFF-UHFFFAOYSA-N 1 0 169.655 2.150 50 0 AEAARO Cc1cc(C[NH3+])c2ccccc2n1 1235085 168754354 /nfs/dbraw/zinc/75/43/54/168754354.db2.gz ZNBHJQBGCSDNSC-UHFFFAOYSA-N 1 0 172.231 2.002 50 0 in-vitro AEAARO Cc1cc(C[NH3+])ccc1Cl 64033554 168755289 /nfs/dbraw/zinc/75/52/89/168755289.db2.gz FAVREULOXHXCQX-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO Cc1cc(C[NH2+]C(C)C)c(C)n1C 52789496 168757265 /nfs/dbraw/zinc/75/72/65/168757265.db2.gz SXRDQIXBDLFMCG-UHFFFAOYSA-N 1 0 180.295 2.140 50 0 AEAARO Cc1cc(Cl)ccc1C[NH3+] 4242628 168759684 /nfs/dbraw/zinc/75/96/84/168759684.db2.gz WTSJOJUKDNGALK-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO Cc1cc(Cl)ccc1OCCC[NH3+] 19505408 168761323 /nfs/dbraw/zinc/76/13/23/168761323.db2.gz QTKBNOAFNIFUMP-UHFFFAOYSA-N 1 0 199.681 2.376 50 0 in-vitro AEAARO Cc1cc(NCC(C)C)cc[nH+]1 97162103 168771908 /nfs/dbraw/zinc/77/19/08/168771908.db2.gz OKAKQPDYLWIOFL-UHFFFAOYSA-N 1 0 164.252 2.458 50 0 AEAARO Cc1cc([C@H](C)[NH3+])cc(C)c1F 71373474 168781810 /nfs/dbraw/zinc/78/18/10/168781810.db2.gz MBSSBFUSRJJSCI-QMMMGPOBSA-N 1 0 167.227 2.462 50 0 in-vitro AEAARO Cc1cc2c(s1)CC[C@@H]2[NH3+] 107398460 168788486 /nfs/dbraw/zinc/78/84/86/168788486.db2.gz FZBPUCRQPMIDJC-ZETCQYMHSA-N 1 0 153.250 2.003 50 0 in-vitro AEAARO Cc1ccc(C(C)(C)C[NH3+])cc1 14000274 168802710 /nfs/dbraw/zinc/80/27/10/168802710.db2.gz QTFRWGMKUZJXQZ-UHFFFAOYSA-N 1 0 163.264 2.231 50 0 in-vitro AEAARO Cc1ccc(C(C)C)cc1OCC[NH3+] 4998651 168803119 /nfs/dbraw/zinc/80/31/19/168803119.db2.gz PXSOMQWMMNYHCT-UHFFFAOYSA-N 1 0 193.290 2.456 50 0 in-vitro AEAARO Cc1ccc(C)c(O[C@H]2CC[NH2+]C2)c1 14632147 168805411 /nfs/dbraw/zinc/80/54/11/168805411.db2.gz ASLMJNHTVHRJGR-NSHDSACASA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1ccc(C)n1CC1CC[NH2+]CC1 157735 168808241 /nfs/dbraw/zinc/80/82/41/168808241.db2.gz RMANVGUXWRCNTE-UHFFFAOYSA-N 1 0 192.306 2.105 50 0 in-vitro AEAARO Cc1ccc(C2CC[NH2+]CC2)cc1 2577354 168808287 /nfs/dbraw/zinc/80/82/87/168808287.db2.gz UWILYNPREMNRTF-UHFFFAOYSA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO Cc1ccc(C)n1C1CC[NH2+]CC1 12359753 168808324 /nfs/dbraw/zinc/80/83/24/168808324.db2.gz LFUQYNQNHALJCO-UHFFFAOYSA-N 1 0 178.279 2.029 50 0 in-vitro AEAARO Cc1ccc(CC2(C[NH3+])CC2)cc1 71496919 168810821 /nfs/dbraw/zinc/81/08/21/168810821.db2.gz ZUEYCRBSTAVCGX-UHFFFAOYSA-N 1 0 175.275 2.276 50 0 AEAARO Cc1ccc(C[NH3+])c2cccnc12 49584775 168812923 /nfs/dbraw/zinc/81/29/23/168812923.db2.gz MJZJHOJWWBVSGF-UHFFFAOYSA-N 1 0 172.231 2.002 50 0 in-vitro AEAARO Cc1ccc(C[NH2+]C2CC2)s1 8551020 168814416 /nfs/dbraw/zinc/81/44/16/168814416.db2.gz MVCDRJIQTVRCJJ-UHFFFAOYSA-N 1 0 167.277 2.309 50 0 in-vitro AEAARO Cc1ccc(OC2CC[NH2+]CC2)cc1 2579330 168829783 /nfs/dbraw/zinc/82/97/83/168829783.db2.gz FFFNUHGMXGAUFY-UHFFFAOYSA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO Cc1ccc(OC[C@@H]([NH3+])C2CC2)cc1 68902454 168831394 /nfs/dbraw/zinc/83/13/94/168831394.db2.gz VBBNETIHJBVJRF-GFCCVEGCSA-N 1 0 191.274 2.111 50 0 AEAARO Cc1ccc(O[C@@H](C)C[NH3+])cc1C 10154889 168831637 /nfs/dbraw/zinc/83/16/37/168831637.db2.gz UHWNETBQPWKEAG-JTQLQIEISA-N 1 0 179.263 2.029 50 0 in-vitro AEAARO Cc1ccc(O[C@H]2CC[NH2+]C2)c(C)c1 14632140 168833762 /nfs/dbraw/zinc/83/37/62/168833762.db2.gz CQAIYACFVFLDEV-NSHDSACASA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)[NH3+])cc1 2516980 168834247 /nfs/dbraw/zinc/83/42/47/168834247.db2.gz UZDDXUMOXKDXNE-MRVPVSSYSA-N 1 0 135.210 2.015 50 0 in-vitro AEAARO Cc1ccc([C@@H]([NH3+])C2CC2)cc1 3739111 168836169 /nfs/dbraw/zinc/83/61/69/168836169.db2.gz NDSBRDFZIHGLNI-LLVKDONJSA-N 1 0 161.248 2.405 50 0 AEAARO Cc1ccc([C@@H]2OCCC[C@H]2[NH3+])cc1 72266407 168838485 /nfs/dbraw/zinc/83/84/85/168838485.db2.gz YGUNMMBWGALCAF-NEPJUHHUSA-N 1 0 191.274 2.174 50 0 in-vitro AEAARO Cc1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 70586621 168838707 /nfs/dbraw/zinc/83/87/07/168838707.db2.gz XVLMYNSFQWWMQV-PWSUYJOCSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO Cc1ccc([C@@]2(C)CC[NH2+]C2)cc1 51955275 168839224 /nfs/dbraw/zinc/83/92/24/168839224.db2.gz FMQKRXSGCSHUJG-LBPRGKRZSA-N 1 0 175.275 2.246 50 0 in-vitro AEAARO Cc1ccc([C@H](C)[NH3+])cc1C 3705325 168840460 /nfs/dbraw/zinc/84/04/60/168840460.db2.gz PMUVPGYHXWUERM-VIFPVBQESA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1ccc([C@H]([NH3+])C2CC2)cc1 3739110 168840481 /nfs/dbraw/zinc/84/04/81/168840481.db2.gz NDSBRDFZIHGLNI-NSHDSACASA-N 1 0 161.248 2.405 50 0 AEAARO Cc1ccc([C@H]2CC[NH2+]C2)cc1 2529102 168843673 /nfs/dbraw/zinc/84/36/73/168843673.db2.gz ZHJRWNCIVYOGSJ-NSHDSACASA-N 1 0 161.248 2.072 50 0 in-vitro AEAARO Cc1ccc([C@H]2C[C@H]2[NH3+])cc1C 37381697 168844337 /nfs/dbraw/zinc/84/43/37/168844337.db2.gz KNIOVMIFMGBHCG-GHMZBOCLSA-N 1 0 161.248 2.118 50 0 AEAARO Cc1ccc([C@H]2CC[NH2+]C2)c(C)c1 49805262 168844386 /nfs/dbraw/zinc/84/43/86/168844386.db2.gz XYJJNJMGKPBTGD-NSHDSACASA-N 1 0 175.275 2.380 50 0 AEAARO Cc1ccc([C@H]2CCC[NH2+]C2)cc1 14628977 168844471 /nfs/dbraw/zinc/84/44/71/168844471.db2.gz ZZAJVZCDEKJIEC-LBPRGKRZSA-N 1 0 175.275 2.462 50 0 AEAARO Cc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)C2 41167712 168850356 /nfs/dbraw/zinc/85/03/56/168850356.db2.gz NMRCYNVWDPJOAC-KWQFWETISA-N 1 0 161.248 2.187 50 0 AEAARO Cc1ccc2oc(C[NH3+])cc2c1 20439018 168857051 /nfs/dbraw/zinc/85/70/51/168857051.db2.gz LNHJWZLDJYOZGC-UHFFFAOYSA-N 1 0 161.204 2.200 50 0 in-vitro AEAARO Cc1cccc(C(C)(C)[NH3+])c1C 41167821 168862223 /nfs/dbraw/zinc/86/22/23/168862223.db2.gz FQFSNSYLKFDZBV-UHFFFAOYSA-N 1 0 163.264 2.497 50 0 AEAARO Cc1cccc(C)c1[C@H](C)[NH3+] 39952068 168864741 /nfs/dbraw/zinc/86/47/41/168864741.db2.gz DBGFBJSZKVHNAC-VIFPVBQESA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1cccc(C[C@H]2CCCC[NH2+]2)n1 3734807 168867852 /nfs/dbraw/zinc/86/78/52/168867852.db2.gz QVERAWNJZFXRIH-LLVKDONJSA-N 1 0 190.290 2.075 50 0 in-vitro AEAARO Cc1cccc(C[C@H]([NH3+])C2CC2)c1 32006854 168868368 /nfs/dbraw/zinc/86/83/68/168868368.db2.gz UUOFPYZAPDEVGZ-LBPRGKRZSA-N 1 0 175.275 2.275 50 0 in-vitro AEAARO Cc1cccc(NC[C@H]2CCC[NH2+]2)c1 6658190 168870036 /nfs/dbraw/zinc/87/00/36/168870036.db2.gz LOASAKNWORVZHX-GFCCVEGCSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1cccc(OCC[NH2+]C(C)C)c1 19737971 168871156 /nfs/dbraw/zinc/87/11/56/168871156.db2.gz KTJJUEVOOLHUFF-UHFFFAOYSA-N 1 0 193.290 2.372 50 0 AEAARO Cc1cccc([C@@H]2CC[NH2+]C2)c1 19785199 168873721 /nfs/dbraw/zinc/87/37/21/168873721.db2.gz HKCRRUSIWHNQMP-LLVKDONJSA-N 1 0 161.248 2.072 50 0 in-vitro AEAARO Cc1cccc([C@H]2CC[NH2+]C2)c1 19785200 168873925 /nfs/dbraw/zinc/87/39/25/168873925.db2.gz HKCRRUSIWHNQMP-NSHDSACASA-N 1 0 161.248 2.072 50 0 in-vitro AEAARO Cc1cccc([C@H]2CCC[NH2+]C2)c1 14628983 168874519 /nfs/dbraw/zinc/87/45/19/168874519.db2.gz OHFNOQQJKQDEOT-LBPRGKRZSA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO Cc1cccc([C@H](C)[NH3+])c1 3705301 168874925 /nfs/dbraw/zinc/87/49/25/168874925.db2.gz HIJMHAFOUAKOMS-QMMMGPOBSA-N 1 0 135.210 2.015 50 0 in-vitro AEAARO Cc1cccc([C@]2(F)CC[NH2+]C2)c1 107126950 168877179 /nfs/dbraw/zinc/87/71/79/168877179.db2.gz DNIPLAIHBDOIMM-NSHDSACASA-N 1 0 179.238 2.153 50 0 in-vitro AEAARO Cc1cccc2c(C[C@H](C)[NH3+])c[nH]c12 6679767 168878557 /nfs/dbraw/zinc/87/85/57/168878557.db2.gz ISJMGGZLKGIAFX-VIFPVBQESA-N 1 0 188.274 2.366 50 0 AEAARO Cc1cccc2c1CC(C)(C)[NH2+]C2 58518832 168878896 /nfs/dbraw/zinc/87/88/96/168878896.db2.gz HGVVIBKWWWCIOB-UHFFFAOYSA-N 1 0 175.275 2.419 50 0 AEAARO Cc1ccccc1[C@H]1C[NH2+][C@@H](C)C1 68576630 168884509 /nfs/dbraw/zinc/88/45/09/168884509.db2.gz TZDTZINRPCSMRZ-WDEREUQCSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO Cc1n[nH]c(C)c1[C@@H]1CCCCC[NH2+]1 83279188 168925680 /nfs/dbraw/zinc/92/56/80/168925680.db2.gz QWQQOCFYULMGMI-JTQLQIEISA-N 1 0 193.294 2.231 50 0 in-vitro AEAARO Cc1n[nH]c(C)c1[C@H]1CCCCC[NH2+]1 83279189 168926157 /nfs/dbraw/zinc/92/61/57/168926157.db2.gz QWQQOCFYULMGMI-SNVBAGLBSA-N 1 0 193.294 2.231 50 0 in-vitro AEAARO Cc1nc(C(C)C)sc1C[NH3+] 19092452 168934367 /nfs/dbraw/zinc/93/43/67/168934367.db2.gz PTFLHXSPVJMQMA-UHFFFAOYSA-N 1 0 170.281 2.034 50 0 in-vitro AEAARO Cc1nc([C@@H]2CCC[NH2+]C2)sc1C 11632019 168950038 /nfs/dbraw/zinc/95/00/38/168950038.db2.gz PWMLYPKAABAYEF-SECBINFHSA-N 1 0 196.319 2.227 50 0 in-vitro AEAARO Cc1oc(-c2ccccc2)nc1C[NH3+] 12370181 169007415 /nfs/dbraw/zinc/00/74/15/169007415.db2.gz LEKZZMAVLLJSNA-UHFFFAOYSA-N 1 0 188.230 2.109 50 0 in-vitro AEAARO Cc1oc2ccccc2c1C[NH3+] 39136508 169009573 /nfs/dbraw/zinc/00/95/73/169009573.db2.gz VYVCIEFMHJNPEU-UHFFFAOYSA-N 1 0 161.204 2.200 50 0 in-vitro AEAARO Cc1oc2ccccc2c1CC[NH3+] 44398071 169010229 /nfs/dbraw/zinc/01/02/29/169010229.db2.gz FPHABPQYVPYGBL-UHFFFAOYSA-N 1 0 175.231 2.242 50 0 in-vitro AEAARO Cc1onc(-c2ccccc2)c1C[NH3+] 158500 169012988 /nfs/dbraw/zinc/01/29/88/169012988.db2.gz KJGJWCJXSLAKKS-UHFFFAOYSA-N 1 0 188.230 2.109 50 0 in-vitro AEAARO Cc1sc(C[NH3+])nc1C(C)C 37755178 169014329 /nfs/dbraw/zinc/01/43/29/169014329.db2.gz XYSUDYHMINBQHK-UHFFFAOYSA-N 1 0 170.281 2.034 50 0 AEAARO Cc1sc2ccccc2[n+]1C 101129 169014452 /nfs/dbraw/zinc/01/44/52/169014452.db2.gz QBQDROYKEQDPRX-UHFFFAOYSA-N 1 0 164.253 2.034 50 0 in-vitro AEAARO Clc1cc2c(s1)CC[NH2+]C2 203904958 169022002 /nfs/dbraw/zinc/02/20/02/169022002.db2.gz GDOVYGFMYALPEF-UHFFFAOYSA-N 1 0 173.668 2.047 50 0 AEAARO Clc1ccc([C@@H]2COCC[NH2+]2)cc1 2513106 169022822 /nfs/dbraw/zinc/02/28/22/169022822.db2.gz NGXIQCGISJJWHS-JTQLQIEISA-N 1 0 197.665 2.001 50 0 in-vitro AEAARO Clc1ccc(N[C@@H]2CC[NH2+]C2)cc1 4312767 169022962 /nfs/dbraw/zinc/02/29/62/169022962.db2.gz PSFRLEXMICVMCG-SNVBAGLBSA-N 1 0 196.681 2.114 50 0 AEAARO Clc1ccc(SC2C[NH2+]C2)cc1 54931744 169023070 /nfs/dbraw/zinc/02/30/70/169023070.db2.gz ZUJQOVITJCKCGM-UHFFFAOYSA-N 1 0 199.706 2.404 50 0 AEAARO Clc1ccc(O[C@H]2CC[NH2+]C2)cc1 14632220 169023209 /nfs/dbraw/zinc/02/32/09/169023209.db2.gz GTDFBKVKKRBGIF-JTQLQIEISA-N 1 0 197.665 2.081 50 0 in-vitro AEAARO Clc1ccc(C2C[NH2+]C2)cc1 2029496 169023286 /nfs/dbraw/zinc/02/32/86/169023286.db2.gz UPXXQMBUBSHBEZ-UHFFFAOYSA-N 1 0 167.639 2.027 50 0 in-vitro AEAARO Clc1ccc([C@H]2CC[NH2+]2)cc1 44257400 169023368 /nfs/dbraw/zinc/02/33/68/169023368.db2.gz XACHRNVIRUJODJ-SECBINFHSA-N 1 0 167.639 2.374 50 0 in-vitro AEAARO Clc1ccc([C@@H]2CC[NH2+]2)cc1 44257395 169023394 /nfs/dbraw/zinc/02/33/94/169023394.db2.gz XACHRNVIRUJODJ-VIFPVBQESA-N 1 0 167.639 2.374 50 0 in-vitro AEAARO Clc1ccc2c(c1)C[NH2+]CC21CC1 91368582 169023423 /nfs/dbraw/zinc/02/34/23/169023423.db2.gz DVIJCNPXZCOCDA-UHFFFAOYSA-N 1 0 193.677 2.475 50 0 AEAARO Clc1ccc(C[NH+]2CCCC2)cn1 13798253 169023472 /nfs/dbraw/zinc/02/34/72/169023472.db2.gz FBTLLOGYEKBETB-UHFFFAOYSA-N 1 0 196.681 2.331 50 0 in-vitro AEAARO Clc1ccc2c(c1)C1(CC1)C[NH2+]C2 91368476 169023573 /nfs/dbraw/zinc/02/35/73/169023573.db2.gz BFUQHDHREDLEPH-UHFFFAOYSA-N 1 0 193.677 2.475 50 0 AEAARO Clc1ccc(C[C@@H]2CC[NH2+]C2)cc1 15020843 169023637 /nfs/dbraw/zinc/02/36/37/169023637.db2.gz PIZZPCUWFMLUSS-JTQLQIEISA-N 1 0 195.693 2.492 50 0 AEAARO Clc1ccc(CC2C[NH2+]C2)cc1 22160753 169023656 /nfs/dbraw/zinc/02/36/56/169023656.db2.gz UTOUVXKYESEICL-UHFFFAOYSA-N 1 0 181.666 2.102 50 0 in-vitro AEAARO Clc1ccc(C[C@H]2CC[NH2+]C2)cc1 2529105 169023673 /nfs/dbraw/zinc/02/36/73/169023673.db2.gz PIZZPCUWFMLUSS-SNVBAGLBSA-N 1 0 195.693 2.492 50 0 AEAARO Clc1ccc([C@@H]2C[NH2+]CCO2)cc1 2526854 169023885 /nfs/dbraw/zinc/02/38/85/169023885.db2.gz ANGMDOVGFNZDLQ-JTQLQIEISA-N 1 0 197.665 2.001 50 0 in-vitro AEAARO Clc1ccc([C@H]2CC[NH2+]C2)cc1 2529101 169023912 /nfs/dbraw/zinc/02/39/12/169023912.db2.gz MGGZDDQAOZEEDU-VIFPVBQESA-N 1 0 181.666 2.417 50 0 in-vitro AEAARO Clc1ccc(O[C@@H]2CC[NH2+]C2)cc1 14632219 169023932 /nfs/dbraw/zinc/02/39/32/169023932.db2.gz GTDFBKVKKRBGIF-SNVBAGLBSA-N 1 0 197.665 2.081 50 0 in-vitro AEAARO Clc1ccc2c(c1)C[NH2+]CCC2 57936389 169023934 /nfs/dbraw/zinc/02/39/34/169023934.db2.gz MFHZEQYPCDNPGD-UHFFFAOYSA-N 1 0 181.666 2.376 50 0 AEAARO Clc1ccc([C@@H]2CC[NH2+]C2)cc1 2243530 169023961 /nfs/dbraw/zinc/02/39/61/169023961.db2.gz MGGZDDQAOZEEDU-SECBINFHSA-N 1 0 181.666 2.417 50 0 in-vitro AEAARO Clc1ccc(N[C@H]2CC[NH2+]C2)cc1 4312768 169023962 /nfs/dbraw/zinc/02/39/62/169023962.db2.gz PSFRLEXMICVMCG-JTQLQIEISA-N 1 0 196.681 2.114 50 0 AEAARO Clc1ccccc1C1C[NH2+]C1 44135310 169024353 /nfs/dbraw/zinc/02/43/53/169024353.db2.gz ZMKGFUUMMCARDM-UHFFFAOYSA-N 1 0 167.639 2.027 50 0 in-vitro AEAARO Clc1ccccc1[C@H]1C[NH2+]CCO1 11803028 169024402 /nfs/dbraw/zinc/02/44/02/169024402.db2.gz GZOCSISIGGFMGP-SNVBAGLBSA-N 1 0 197.665 2.001 50 0 in-vitro AEAARO Clc1ccccc1[C@@H]1C[NH2+]CCO1 2513062 169024498 /nfs/dbraw/zinc/02/44/98/169024498.db2.gz GZOCSISIGGFMGP-JTQLQIEISA-N 1 0 197.665 2.001 50 0 in-vitro AEAARO Clc1cccnc1C1CC[NH2+]CC1 74240723 169024515 /nfs/dbraw/zinc/02/45/15/169024515.db2.gz LAFOOCMIGLKZNC-UHFFFAOYSA-N 1 0 196.681 2.202 50 0 AEAARO Clc1cccc(C[C@H]2CC[NH2+]C2)c1 57937586 169024519 /nfs/dbraw/zinc/02/45/19/169024519.db2.gz VVEHQTPUBNGBGN-SNVBAGLBSA-N 1 0 195.693 2.492 50 0 in-vitro AEAARO Clc1cccc(O[C@H]2CC[NH2+]C2)c1 14632169 169024938 /nfs/dbraw/zinc/02/49/38/169024938.db2.gz NDJXJUSKVNUOOH-JTQLQIEISA-N 1 0 197.665 2.081 50 0 AEAARO Clc1cccc([C@@H]2CC[NH2+]C2)c1 2243531 169025030 /nfs/dbraw/zinc/02/50/30/169025030.db2.gz FQSUFJMIMCTWRI-SECBINFHSA-N 1 0 181.666 2.417 50 0 in-vitro AEAARO Clc1cccc(O[C@@H]2CC[NH2+]C2)c1 14632167 169025068 /nfs/dbraw/zinc/02/50/68/169025068.db2.gz NDJXJUSKVNUOOH-SNVBAGLBSA-N 1 0 197.665 2.081 50 0 AEAARO Clc1ccccc1CC1C[NH2+]C1 22159831 169025079 /nfs/dbraw/zinc/02/50/79/169025079.db2.gz IJGDFXWDQVGNID-UHFFFAOYSA-N 1 0 181.666 2.102 50 0 in-vitro AEAARO Clc1cccc(C2C[NH2+]C2)c1 44135308 169025143 /nfs/dbraw/zinc/02/51/43/169025143.db2.gz FQHRLOXZZSLYRR-UHFFFAOYSA-N 1 0 167.639 2.027 50 0 in-vitro AEAARO Clc1ccccc1O[C@@H]1CC[NH2+]C1 14632091 169025160 /nfs/dbraw/zinc/02/51/60/169025160.db2.gz APUWIMBTIDIKKZ-MRVPVSSYSA-N 1 0 197.665 2.081 50 0 in-vitro AEAARO Clc1cccc2c1C1(CC1)C[NH2+]C2 91366409 169025217 /nfs/dbraw/zinc/02/52/17/169025217.db2.gz NBYSFQXREUCXBL-UHFFFAOYSA-N 1 0 193.677 2.475 50 0 AEAARO Clc1ccccc1[C@@H]1CC[NH2+]C1 2243532 169025262 /nfs/dbraw/zinc/02/52/62/169025262.db2.gz RCQFNQQYVSNBOJ-MRVPVSSYSA-N 1 0 181.666 2.417 50 0 in-vitro AEAARO Clc1cccc(N[C@@H]2CC[NH2+]C2)c1 83137909 169025277 /nfs/dbraw/zinc/02/52/77/169025277.db2.gz GFHCSIJCLZAWKC-SNVBAGLBSA-N 1 0 196.681 2.114 50 0 in-vitro AEAARO Clc1cccc([C@@H]2COCC[NH2+]2)c1 11803331 169025452 /nfs/dbraw/zinc/02/54/52/169025452.db2.gz BVVLTFIYZDQMAU-JTQLQIEISA-N 1 0 197.665 2.001 50 0 AEAARO Clc1cccc([C@H]2CC[NH2+]C2)c1 19785205 169025509 /nfs/dbraw/zinc/02/55/09/169025509.db2.gz FQSUFJMIMCTWRI-VIFPVBQESA-N 1 0 181.666 2.417 50 0 in-vitro AEAARO Clc1ccccc1C[C@@H]1CC[NH2+]C1 4293760 169025528 /nfs/dbraw/zinc/02/55/28/169025528.db2.gz SVJGDVDJMBNCGU-VIFPVBQESA-N 1 0 195.693 2.492 50 0 in-vitro AEAARO Clc1ccccc1C[C@H]1CC[NH2+]C1 2529108 169025544 /nfs/dbraw/zinc/02/55/44/169025544.db2.gz SVJGDVDJMBNCGU-SECBINFHSA-N 1 0 195.693 2.492 50 0 in-vitro AEAARO Clc1ccccc1O[C@H]1CC[NH2+]C1 14632093 169025593 /nfs/dbraw/zinc/02/55/93/169025593.db2.gz APUWIMBTIDIKKZ-QMMMGPOBSA-N 1 0 197.665 2.081 50 0 in-vitro AEAARO Clc1ccccc1[C@H]1CC[NH2+]C1 2529103 169025695 /nfs/dbraw/zinc/02/56/95/169025695.db2.gz RCQFNQQYVSNBOJ-QMMMGPOBSA-N 1 0 181.666 2.417 50 0 in-vitro AEAARO Clc1cccc(N[C@H]2CC[NH2+]C2)c1 83137914 169025698 /nfs/dbraw/zinc/02/56/98/169025698.db2.gz GFHCSIJCLZAWKC-JTQLQIEISA-N 1 0 196.681 2.114 50 0 in-vitro AEAARO Clc1cccc([C@@H]2C[NH2+]CCO2)c1 11803030 169025770 /nfs/dbraw/zinc/02/57/70/169025770.db2.gz GFAWQDWBIIPABX-JTQLQIEISA-N 1 0 197.665 2.001 50 0 in-vitro AEAARO Clc1cccc(C[C@@H]2CC[NH2+]C2)c1 57937584 169025798 /nfs/dbraw/zinc/02/57/98/169025798.db2.gz VVEHQTPUBNGBGN-JTQLQIEISA-N 1 0 195.693 2.492 50 0 in-vitro AEAARO Clc1ncc(C[NH2+]C2CC2)s1 66322956 169027668 /nfs/dbraw/zinc/02/76/68/169027668.db2.gz JOLRJHGLBXAUBI-UHFFFAOYSA-N 1 0 188.683 2.049 50 0 in-vitro AEAARO Clc1ncccc1C[NH+]1CCCC1 52708942 169027684 /nfs/dbraw/zinc/02/76/84/169027684.db2.gz WVWYJQXNCGRDCG-UHFFFAOYSA-N 1 0 196.681 2.331 50 0 in-vitro AEAARO Cn1c(/C=C/c2ccccc2)cc[n+]1C 4952168 169029853 /nfs/dbraw/zinc/02/98/53/169029853.db2.gz UNIWALLHWUKMPJ-CMDGGOBGSA-N 1 0 199.277 2.020 50 0 AEAARO Cn1c(C[NH3+])cc2cc(Cl)ccc21 9239725 169032349 /nfs/dbraw/zinc/03/23/49/169032349.db2.gz KZPNCBPMGIUESH-UHFFFAOYSA-N 1 0 194.665 2.290 50 0 AEAARO Cn1c(Cl)c(C[NH3+])c2ccccc21 4639110 169033262 /nfs/dbraw/zinc/03/32/62/169033262.db2.gz ZLELXGXXUXFVNX-UHFFFAOYSA-N 1 0 194.665 2.290 50 0 AEAARO Cn1c2c(c(=[NH2+])c3ccccc31)CCC2 4663448 169034779 /nfs/dbraw/zinc/03/47/79/169034779.db2.gz DWKWRNZWSVKZOZ-UHFFFAOYSA-N 1 0 198.269 2.146 50 0 AEAARO Cn1ccc([C@H]([NH3+])CCC(C)(C)C)n1 83573229 169046024 /nfs/dbraw/zinc/04/60/24/169046024.db2.gz DHLZMDWIOFGVRR-SECBINFHSA-N 1 0 195.310 2.246 50 0 in-vitro AEAARO Cn1ccc([C@@H]([NH3+])CCC(C)(C)C)n1 83573227 169046990 /nfs/dbraw/zinc/04/69/90/169046990.db2.gz DHLZMDWIOFGVRR-VIFPVBQESA-N 1 0 195.310 2.246 50 0 in-vitro AEAARO Cn1cccc1[C@H]([NH3+])c1ccccc1 11848696 169049225 /nfs/dbraw/zinc/04/92/25/169049225.db2.gz ZUADXHJXKLHXFL-GFCCVEGCSA-N 1 0 186.258 2.073 50 0 in-vitro AEAARO Cn1cccc1C[NH2+]C1CCCC1 4657549 169049577 /nfs/dbraw/zinc/04/95/77/169049577.db2.gz XMXUOSCHRJKXOX-UHFFFAOYSA-N 1 0 178.279 2.057 50 0 AEAARO Cn1cccc1C[NH2+]C1CCCCC1 4657544 169049884 /nfs/dbraw/zinc/04/98/84/169049884.db2.gz HRDRHDWQTTTYAN-UHFFFAOYSA-N 1 0 192.306 2.447 50 0 AEAARO Cn1cccc1[C@@H]1CCCCC[NH2+]1 4218309 169049903 /nfs/dbraw/zinc/04/99/03/169049903.db2.gz ZVMWDOYUTMVFNV-JTQLQIEISA-N 1 0 178.279 2.230 50 0 in-vitro AEAARO Cn1cccc1[C@@H]([NH3+])c1ccccc1 11848695 169049931 /nfs/dbraw/zinc/04/99/31/169049931.db2.gz ZUADXHJXKLHXFL-LBPRGKRZSA-N 1 0 186.258 2.073 50 0 in-vitro AEAARO Cn1cccc1[C@H]1CCCCC[NH2+]1 4218310 169050225 /nfs/dbraw/zinc/05/02/25/169050225.db2.gz ZVMWDOYUTMVFNV-SNVBAGLBSA-N 1 0 178.279 2.230 50 0 in-vitro AEAARO FC(F)(F)CC[NH2+]C1CCCC1 37855304 169071227 /nfs/dbraw/zinc/07/12/27/169071227.db2.gz KOWYWFNVZONFCT-UHFFFAOYSA-N 1 0 181.201 2.471 50 0 in-vitro AEAARO FC(F)(F)CNc1cc[nH+]cc1 20562594 169072027 /nfs/dbraw/zinc/07/20/27/169072027.db2.gz TUKVLFRRTNWHOJ-UHFFFAOYSA-N 1 0 176.141 2.056 50 0 in-vitro AEAARO FC(F)(F)CC[NH2+]C1CCC1 63099779 169072082 /nfs/dbraw/zinc/07/20/82/169072082.db2.gz QTAVJKPJXLJVDQ-UHFFFAOYSA-N 1 0 167.174 2.081 50 0 in-vitro AEAARO FC(F)(F)[C@H]1CC[NH2+]CC12CCC2 238850861 169072407 /nfs/dbraw/zinc/07/24/07/169072407.db2.gz DBAQCURGWZIETB-ZETCQYMHSA-N 1 0 193.212 2.329 50 0 in-vitro AEAARO FC(F)(F)c1ccc2c(c1)C[NH2+]C2 64034330 169072559 /nfs/dbraw/zinc/07/25/59/169072559.db2.gz MLGLDTHUKQAQEC-UHFFFAOYSA-N 1 0 187.164 2.309 50 0 in-vitro AEAARO FC(F)(F)c1cccc2c1C[NH2+]C2 71791093 169072881 /nfs/dbraw/zinc/07/28/81/169072881.db2.gz GEPUADVOHGHQBZ-UHFFFAOYSA-N 1 0 187.164 2.309 50 0 in-vitro AEAARO FC1(Cc2ccccc2)CC[NH2+]CC1 98210081 169073511 /nfs/dbraw/zinc/07/35/11/169073511.db2.gz COCCCOQGYHIOAM-UHFFFAOYSA-N 1 0 193.265 2.321 50 0 AEAARO FC(F)CC1(c2ccccc2)C[NH2+]C1 306665525 169073933 /nfs/dbraw/zinc/07/39/33/169073933.db2.gz YJMQJFGJSSOUTJ-UHFFFAOYSA-N 1 0 197.228 2.183 50 0 AEAARO F[C@]1(c2cccc(Cl)c2)CC[NH2+]C1 158195657 169080421 /nfs/dbraw/zinc/08/04/21/169080421.db2.gz JBLMHBJCVNOONF-SNVBAGLBSA-N 1 0 199.656 2.498 50 0 AEAARO Fc1cc(F)cc(C[NH2+]C2CC2)c1 36947963 169081175 /nfs/dbraw/zinc/08/11/75/169081175.db2.gz WRRVCXHKEDNRNB-UHFFFAOYSA-N 1 0 183.201 2.217 50 0 AEAARO Fc1cc(F)cc([C@@H]2CCC[NH2+]2)c1 4299175 169081353 /nfs/dbraw/zinc/08/13/53/169081353.db2.gz INAOTHVFVJELEL-JTQLQIEISA-N 1 0 183.201 2.389 50 0 AEAARO Fc1cc(F)cc([C@H]2CCC[NH2+]C2)c1 38539172 169081552 /nfs/dbraw/zinc/08/15/52/169081552.db2.gz WNZBTKIPUMKOPR-QMMMGPOBSA-N 1 0 197.228 2.432 50 0 AEAARO Fc1cc(F)cc([C@@H]2CCC[NH2+]C2)c1 38539171 169081599 /nfs/dbraw/zinc/08/15/99/169081599.db2.gz WNZBTKIPUMKOPR-MRVPVSSYSA-N 1 0 197.228 2.432 50 0 AEAARO Fc1cc(F)cc(C2CC[NH2+]CC2)c1 2512983 169082061 /nfs/dbraw/zinc/08/20/61/169082061.db2.gz YTQCWZFTGGZZDZ-UHFFFAOYSA-N 1 0 197.228 2.432 50 0 in-vitro AEAARO Fc1cc(F)cc([C@H]2CC[NH2+]C2)c1 44135396 169082082 /nfs/dbraw/zinc/08/20/82/169082082.db2.gz NSNPKCDGEORKKV-ZETCQYMHSA-N 1 0 183.201 2.042 50 0 AEAARO Fc1cc(F)cc([C@H]2CCC[NH2+]2)c1 4299176 169082178 /nfs/dbraw/zinc/08/21/78/169082178.db2.gz INAOTHVFVJELEL-SNVBAGLBSA-N 1 0 183.201 2.389 50 0 AEAARO Fc1ccc(NN2CCCCC2)[nH+]c1 148257195 169082514 /nfs/dbraw/zinc/08/25/14/169082514.db2.gz QQDPURHOMVMWPQ-UHFFFAOYSA-N 1 0 195.241 2.034 50 0 AEAARO Fc1ccc(C[n+]2ccccc2)cc1 330027 169082529 /nfs/dbraw/zinc/08/25/29/169082529.db2.gz BCOHQGUVFWKNQD-UHFFFAOYSA-N 1 0 188.225 2.162 50 0 AEAARO Fc1ccc(C[NH2+]C2CC2)cc1 4207337 169082658 /nfs/dbraw/zinc/08/26/58/169082658.db2.gz YKNFXOCMGURJMK-UHFFFAOYSA-N 1 0 165.211 2.078 50 0 AEAARO Fc1ccc(C[NH2+]C2CC2)c(F)c1 21965073 169082663 /nfs/dbraw/zinc/08/26/63/169082663.db2.gz QJOVQCIVJHQJJC-UHFFFAOYSA-N 1 0 183.201 2.217 50 0 AEAARO Fc1ccc(C[C@H]2CC[NH2+]C2)cc1F 70627811 169082700 /nfs/dbraw/zinc/08/27/00/169082700.db2.gz SIHLEGCLLWTHJC-SECBINFHSA-N 1 0 197.228 2.117 50 0 in-vitro AEAARO Fc1ccc(C[C@@H]2CC[NH2+]C2)cc1F 70627810 169082893 /nfs/dbraw/zinc/08/28/93/169082893.db2.gz SIHLEGCLLWTHJC-VIFPVBQESA-N 1 0 197.228 2.117 50 0 in-vitro AEAARO Fc1ccc(F)c([C@H]2CCC[NH2+]C2)c1 38539245 169083099 /nfs/dbraw/zinc/08/30/99/169083099.db2.gz GUJLZNVKQIMECO-QMMMGPOBSA-N 1 0 197.228 2.432 50 0 in-vitro AEAARO Fc1ccc(F)c([C@@H]2CCC[NH2+]2)c1 4299177 169083110 /nfs/dbraw/zinc/08/31/10/169083110.db2.gz NCXSNNVYILYEBC-JTQLQIEISA-N 1 0 183.201 2.389 50 0 in-vitro AEAARO Fc1ccc(C[C@H]2CCC[NH2+]2)cc1 3732303 169083140 /nfs/dbraw/zinc/08/31/40/169083140.db2.gz VVKUNLLPKQCGHF-LLVKDONJSA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1ccc(C[C@@H]2CCC[NH2+]2)cc1 3732304 169083143 /nfs/dbraw/zinc/08/31/43/169083143.db2.gz VVKUNLLPKQCGHF-NSHDSACASA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1ccc(F)c([C@H]2CCC[NH2+]2)c1 4299178 169083165 /nfs/dbraw/zinc/08/31/65/169083165.db2.gz NCXSNNVYILYEBC-SNVBAGLBSA-N 1 0 183.201 2.389 50 0 in-vitro AEAARO Fc1ccc(F)c(C[NH2+]C2CC2)c1 36947947 169083205 /nfs/dbraw/zinc/08/32/05/169083205.db2.gz ZYKQWILYFGTECA-UHFFFAOYSA-N 1 0 183.201 2.217 50 0 AEAARO Fc1ccc(F)c([C@@H]2CCC[NH2+]C2)c1 38539243 169083359 /nfs/dbraw/zinc/08/33/59/169083359.db2.gz GUJLZNVKQIMECO-MRVPVSSYSA-N 1 0 197.228 2.432 50 0 in-vitro AEAARO Fc1ccc(F)c(C[C@H]2CCC[NH2+]2)c1 69841728 169083374 /nfs/dbraw/zinc/08/33/74/169083374.db2.gz SUMGGXXDCASROT-SNVBAGLBSA-N 1 0 197.228 2.259 50 0 AEAARO Fc1ccc(C[C@H]2CCC[NH2+]C2)cc1 2555470 169083456 /nfs/dbraw/zinc/08/34/56/169083456.db2.gz WATWKPHWUDHKGA-LLVKDONJSA-N 1 0 193.265 2.368 50 0 in-vitro AEAARO Fc1ccc(C[NH2+]C2CC2)cc1F 22150688 169083541 /nfs/dbraw/zinc/08/35/41/169083541.db2.gz PXNJWDCDMJFGMR-UHFFFAOYSA-N 1 0 183.201 2.217 50 0 AEAARO Fc1ccc(F)c(C[C@@H]2CCC[NH2+]2)c1 69841727 169083551 /nfs/dbraw/zinc/08/35/51/169083551.db2.gz SUMGGXXDCASROT-JTQLQIEISA-N 1 0 197.228 2.259 50 0 AEAARO Fc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 2526857 169083562 /nfs/dbraw/zinc/08/35/62/169083562.db2.gz WATWKPHWUDHKGA-NSHDSACASA-N 1 0 193.265 2.368 50 0 in-vitro AEAARO Fc1ccc(C[NH2+]CC2CC2)cc1 19884603 169083726 /nfs/dbraw/zinc/08/37/26/169083726.db2.gz JMKBYKGNJPSQPJ-UHFFFAOYSA-N 1 0 179.238 2.325 50 0 in-vitro AEAARO Fc1ccc([C@@H]2CCCC[NH2+]2)nc1 96554639 169084055 /nfs/dbraw/zinc/08/40/55/169084055.db2.gz OQMODSUFIXKLFV-VIFPVBQESA-N 1 0 180.226 2.035 50 0 AEAARO Fc1ccc([C@@H]2CCC[NH2+]C2)cc1F 44135468 169084098 /nfs/dbraw/zinc/08/40/98/169084098.db2.gz XFGMGVZQXXIXGX-SECBINFHSA-N 1 0 197.228 2.432 50 0 AEAARO Fc1ccc(S[C@H]2CC[NH2+]C2)cc1 51783963 169084151 /nfs/dbraw/zinc/08/41/51/169084151.db2.gz ZDMRCFVGYKMWGE-JTQLQIEISA-N 1 0 197.278 2.280 50 0 AEAARO Fc1ccc([C@@H]2CSCC[NH2+]2)cc1 2585755 169084161 /nfs/dbraw/zinc/08/41/61/169084161.db2.gz UKMRAVXQTUEGJX-JTQLQIEISA-N 1 0 197.278 2.203 50 0 in-vitro AEAARO Fc1ccc([C@@H]2CCC[NH2+]C2)cc1 2577375 169084194 /nfs/dbraw/zinc/08/41/94/169084194.db2.gz NKQDGXBXNNRWPR-SNVBAGLBSA-N 1 0 179.238 2.293 50 0 AEAARO Fc1ccc([C@@H]2C[NH2+]CCS2)cc1 2585750 169084276 /nfs/dbraw/zinc/08/42/76/169084276.db2.gz HMTJELZUGFKLFU-JTQLQIEISA-N 1 0 197.278 2.203 50 0 in-vitro AEAARO Fc1ccc2c(c1)CC[C@@]21CCC[NH2+]1 66347955 169084418 /nfs/dbraw/zinc/08/44/18/169084418.db2.gz MCQVKKSUGHTDKI-LBPRGKRZSA-N 1 0 191.249 2.351 50 0 AEAARO Fc1ccc([C@H]2CCC[NH2+]2)cc1 3732220 169084468 /nfs/dbraw/zinc/08/44/68/169084468.db2.gz ZDCXMSDSTZZWAX-SNVBAGLBSA-N 1 0 165.211 2.250 50 0 in-vitro AEAARO Fc1ccc([C@H]2CCC[NH2+]C2)cc1 14628972 169084490 /nfs/dbraw/zinc/08/44/90/169084490.db2.gz NKQDGXBXNNRWPR-JTQLQIEISA-N 1 0 179.238 2.293 50 0 AEAARO Fc1ccc([C@H]2CCC[NH2+]2)cc1F 4312814 169084586 /nfs/dbraw/zinc/08/45/86/169084586.db2.gz SZPJRABUCTXGIN-SNVBAGLBSA-N 1 0 183.201 2.389 50 0 in-vitro AEAARO Fc1ccc2c(c1)CC[C@]21CCC[NH2+]1 66347959 169084755 /nfs/dbraw/zinc/08/47/55/169084755.db2.gz MCQVKKSUGHTDKI-GFCCVEGCSA-N 1 0 191.249 2.351 50 0 AEAARO Fc1ccc([C@@H]2[NH2+]CCS2)cc1 52537781 169084780 /nfs/dbraw/zinc/08/47/80/169084780.db2.gz SPVFGDPOEAQORJ-SECBINFHSA-N 1 0 183.251 2.161 50 0 in-vitro AEAARO Fc1ccc([C@@H]2CCC[NH2+]2)cc1 2582572 169084829 /nfs/dbraw/zinc/08/48/29/169084829.db2.gz ZDCXMSDSTZZWAX-JTQLQIEISA-N 1 0 165.211 2.250 50 0 in-vitro AEAARO Fc1ccc2c(c1)C[NH2+]CC21CCC1 91368588 169084877 /nfs/dbraw/zinc/08/48/77/169084877.db2.gz IDKVAAIEOASJQI-UHFFFAOYSA-N 1 0 191.249 2.351 50 0 in-vitro AEAARO Fc1ccc([C@@H]2CCC[NH2+]2)c(F)c1 3732407 169084903 /nfs/dbraw/zinc/08/49/03/169084903.db2.gz ALDQGGCTXDBBBO-JTQLQIEISA-N 1 0 183.201 2.389 50 0 in-vitro AEAARO Fc1ccc2c(c1)C[NH2+]CCS2 57218586 169084916 /nfs/dbraw/zinc/08/49/16/169084916.db2.gz MJKYPBAXVHYWEY-UHFFFAOYSA-N 1 0 183.251 2.021 50 0 in-vitro AEAARO Fc1ccc([C@H]2CCC[NH2+]2)c(F)c1 3732406 169084924 /nfs/dbraw/zinc/08/49/24/169084924.db2.gz ALDQGGCTXDBBBO-SNVBAGLBSA-N 1 0 183.201 2.389 50 0 in-vitro AEAARO Fc1ccc([C@H]2CC[NH2+]C2)cc1F 44135405 169084957 /nfs/dbraw/zinc/08/49/57/169084957.db2.gz KVTILWXFURUWHL-QMMMGPOBSA-N 1 0 183.201 2.042 50 0 AEAARO Fc1ccc([C@@H]2CCC[NH2+]2)cc1F 4312813 169085112 /nfs/dbraw/zinc/08/51/12/169085112.db2.gz SZPJRABUCTXGIN-JTQLQIEISA-N 1 0 183.201 2.389 50 0 in-vitro AEAARO Fc1ccc([C@H]2CCC[NH2+]C2)cc1F 44135470 169085169 /nfs/dbraw/zinc/08/51/69/169085169.db2.gz XFGMGVZQXXIXGX-VIFPVBQESA-N 1 0 197.228 2.432 50 0 AEAARO Fc1ccc(S[C@@H]2CC[NH2+]C2)cc1 51783961 169085232 /nfs/dbraw/zinc/08/52/32/169085232.db2.gz ZDMRCFVGYKMWGE-SNVBAGLBSA-N 1 0 197.278 2.280 50 0 AEAARO Fc1ccc([C@@H]2CC[NH2+]C2)cc1F 44135402 169085236 /nfs/dbraw/zinc/08/52/36/169085236.db2.gz KVTILWXFURUWHL-MRVPVSSYSA-N 1 0 183.201 2.042 50 0 AEAARO Fc1cccc(C2CC[NH2+]CC2)c1F 38539100 169085376 /nfs/dbraw/zinc/08/53/76/169085376.db2.gz NCLIFCTURKFISK-UHFFFAOYSA-N 1 0 197.228 2.432 50 0 in-vitro AEAARO Fc1cccc(F)c1[C@H]1CC[NH2+]C1 50267029 169085381 /nfs/dbraw/zinc/08/53/81/169085381.db2.gz UIDIZGHAHRQSCM-ZETCQYMHSA-N 1 0 183.201 2.042 50 0 in-vitro AEAARO Fc1cccc(F)c1C1CC[NH2+]CC1 19835056 169085491 /nfs/dbraw/zinc/08/54/91/169085491.db2.gz XFFWJDKGTLXWRK-UHFFFAOYSA-N 1 0 197.228 2.432 50 0 in-vitro AEAARO Fc1cccc(F)c1C[NH2+]C1CC1 22223213 169085498 /nfs/dbraw/zinc/08/54/98/169085498.db2.gz PJJAYNMZLKUGNZ-UHFFFAOYSA-N 1 0 183.201 2.217 50 0 in-vitro AEAARO Fc1cccc(F)c1C1=CC[NH2+]CC1 19811339 169085539 /nfs/dbraw/zinc/08/55/39/169085539.db2.gz PTBWKMXQAMQLOK-UHFFFAOYSA-N 1 0 195.212 2.342 50 0 in-vitro AEAARO Fc1cccc(F)c1[C@H]1CCC[NH2+]1 19265860 169085679 /nfs/dbraw/zinc/08/56/79/169085679.db2.gz APJIUSMTBHARPY-SECBINFHSA-N 1 0 183.201 2.389 50 0 AEAARO Fc1cccc([C@@H]2CCC[NH2+]C2)c1 2577376 169085691 /nfs/dbraw/zinc/08/56/91/169085691.db2.gz BYQNFDWRXQRLOL-SNVBAGLBSA-N 1 0 179.238 2.293 50 0 in-vitro AEAARO Fc1cccc(C2CC[NH2+]CC2)c1 2577350 169085721 /nfs/dbraw/zinc/08/57/21/169085721.db2.gz BCYGJJOHAFKLLF-UHFFFAOYSA-N 1 0 179.238 2.293 50 0 in-vitro AEAARO Fc1cccc(C[C@@H]2CCC[NH2+]2)c1 19272458 169085746 /nfs/dbraw/zinc/08/57/46/169085746.db2.gz MRXGOHHNQHZIDP-NSHDSACASA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1cccc(C[NH2+]C2CCC2)c1 44480559 169085762 /nfs/dbraw/zinc/08/57/62/169085762.db2.gz QCXOXTBHOBCJJJ-UHFFFAOYSA-N 1 0 179.238 2.468 50 0 AEAARO Fc1cccc(C[C@@H]2CCC[NH2+]C2)c1 20442941 169085789 /nfs/dbraw/zinc/08/57/89/169085789.db2.gz NNRHYTAYBNCEOE-NSHDSACASA-N 1 0 193.265 2.368 50 0 in-vitro AEAARO Fc1cccc(CC[NH2+]C2CC2)c1 36947957 169085904 /nfs/dbraw/zinc/08/59/04/169085904.db2.gz KQPGOTLZUPSCQH-UHFFFAOYSA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1cccc(C[C@H]2CCC[NH2+]C2)c1 2555471 169086178 /nfs/dbraw/zinc/08/61/78/169086178.db2.gz NNRHYTAYBNCEOE-LLVKDONJSA-N 1 0 193.265 2.368 50 0 in-vitro AEAARO Fc1cccc(CC2CC[NH2+]CC2)c1 2555432 169086181 /nfs/dbraw/zinc/08/61/81/169086181.db2.gz ZXAPMANOWGBURM-UHFFFAOYSA-N 1 0 193.265 2.368 50 0 in-vitro AEAARO Fc1cccc(C[NH2+]C2CC2)c1 22561948 169086340 /nfs/dbraw/zinc/08/63/40/169086340.db2.gz RVYCJKKWPAMTIY-UHFFFAOYSA-N 1 0 165.211 2.078 50 0 in-vitro AEAARO Fc1cccc([C@@H]2CCC[NH2+]2)c1 2582595 169086403 /nfs/dbraw/zinc/08/64/03/169086403.db2.gz OADZVVBVXBBMPW-JTQLQIEISA-N 1 0 165.211 2.250 50 0 in-vitro AEAARO Fc1cccc(C[C@H]2CCC[NH2+]2)c1 19272460 169086411 /nfs/dbraw/zinc/08/64/11/169086411.db2.gz MRXGOHHNQHZIDP-LLVKDONJSA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1cccc(C[NH2+]C2CC2)c1F 35054700 169086427 /nfs/dbraw/zinc/08/64/27/169086427.db2.gz INJAMPFEUYMVHZ-UHFFFAOYSA-N 1 0 183.201 2.217 50 0 AEAARO Fc1cccc(F)c1[C@@H]1CC[NH2+]C1 50267028 169086558 /nfs/dbraw/zinc/08/65/58/169086558.db2.gz UIDIZGHAHRQSCM-SSDOTTSWSA-N 1 0 183.201 2.042 50 0 in-vitro AEAARO Fc1cccc(NCc2ncc[nH]2)c1 49714560 169086681 /nfs/dbraw/zinc/08/66/81/169086681.db2.gz BUNYIPDYQNIIMV-UHFFFAOYSA-N 1 0 191.209 2.161 50 0 in-vitro AEAARO Fc1cccc(F)c1[C@@H]1CCC[NH2+]1 19265858 169086694 /nfs/dbraw/zinc/08/66/94/169086694.db2.gz APJIUSMTBHARPY-VIFPVBQESA-N 1 0 183.201 2.389 50 0 AEAARO Fc1cccc(Cl)c1CC1C[NH2+]C1 49812083 169086717 /nfs/dbraw/zinc/08/67/17/169086717.db2.gz VUTCBOLQNNESMH-UHFFFAOYSA-N 1 0 199.656 2.241 50 0 in-vitro AEAARO Fc1cccc(C2=CC[NH2+]CC2)c1 19811344 169086860 /nfs/dbraw/zinc/08/68/60/169086860.db2.gz ILCNYFXNNQYRJP-UHFFFAOYSA-N 1 0 177.222 2.202 50 0 in-vitro AEAARO Fc1ccccc1C1CC[NH2+]CC1 2577351 169087152 /nfs/dbraw/zinc/08/71/52/169087152.db2.gz LHGZYFMLKMITDK-UHFFFAOYSA-N 1 0 179.238 2.293 50 0 in-vitro AEAARO Fc1ccccc1C[NH2+]CC1CC1 19885055 169087255 /nfs/dbraw/zinc/08/72/55/169087255.db2.gz SPZLDRRWVOAIGP-UHFFFAOYSA-N 1 0 179.238 2.325 50 0 AEAARO Fc1ccccc1C[C@@H]1CCC[NH2+]1 2582607 169087358 /nfs/dbraw/zinc/08/73/58/169087358.db2.gz QCUXMVRXZZBSCE-JTQLQIEISA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1ccccc1C[NH+]1CCCC1 4550830 169087507 /nfs/dbraw/zinc/08/75/07/169087507.db2.gz FEXBITBAZCYANI-UHFFFAOYSA-N 1 0 179.238 2.422 50 0 AEAARO Fc1ccccc1C[NH2+]C1CCC1 44480113 169087560 /nfs/dbraw/zinc/08/75/60/169087560.db2.gz UDSFUCPYLJORLJ-UHFFFAOYSA-N 1 0 179.238 2.468 50 0 AEAARO Fc1ccccc1[C@@H]1CCC[NH2+]1 3732301 169087826 /nfs/dbraw/zinc/08/78/26/169087826.db2.gz NOJCVVKIBLHAGW-JTQLQIEISA-N 1 0 165.211 2.250 50 0 in-vitro AEAARO Fc1ccccc1C1=CC[NH2+]CC1 19811363 169087857 /nfs/dbraw/zinc/08/78/57/169087857.db2.gz HIZOTHLNNPXFHY-UHFFFAOYSA-N 1 0 177.222 2.202 50 0 in-vitro AEAARO Fc1ccccc1C[C@@H]1CCC[NH2+]C1 41206272 169087878 /nfs/dbraw/zinc/08/78/78/169087878.db2.gz WYGWVPIQMBAOSW-JTQLQIEISA-N 1 0 193.265 2.368 50 0 AEAARO Fc1ccccc1C[C@H]1CCC[NH2+]C1 41206273 169087926 /nfs/dbraw/zinc/08/79/26/169087926.db2.gz WYGWVPIQMBAOSW-SNVBAGLBSA-N 1 0 193.265 2.368 50 0 AEAARO Fc1ccccc1C[NH2+]C1CC1 795097 169088029 /nfs/dbraw/zinc/08/80/29/169088029.db2.gz UZYPFBRRGVZJNV-UHFFFAOYSA-N 1 0 165.211 2.078 50 0 AEAARO Fc1ccccc1[C@@H]1CCC[NH2+]C1 2577377 169088093 /nfs/dbraw/zinc/08/80/93/169088093.db2.gz YOMCWKRMVZBBBD-SECBINFHSA-N 1 0 179.238 2.293 50 0 AEAARO Fc1ccccc1CC1CC[NH2+]CC1 19089094 169088099 /nfs/dbraw/zinc/08/80/99/169088099.db2.gz HPTZGYXMDTTYBG-UHFFFAOYSA-N 1 0 193.265 2.368 50 0 in-vitro AEAARO Fc1cccc([C@H]2CCC[NH2+]2)c1 3732302 169088268 /nfs/dbraw/zinc/08/82/68/169088268.db2.gz OADZVVBVXBBMPW-SNVBAGLBSA-N 1 0 165.211 2.250 50 0 in-vitro AEAARO Fc1ccccc1C[C@H]1CCC[NH2+]1 3732377 169088322 /nfs/dbraw/zinc/08/83/22/169088322.db2.gz QCUXMVRXZZBSCE-SNVBAGLBSA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Fc1cccc([C@H]2CCC[NH2+]C2)c1 14628975 169088348 /nfs/dbraw/zinc/08/83/48/169088348.db2.gz BYQNFDWRXQRLOL-JTQLQIEISA-N 1 0 179.238 2.293 50 0 in-vitro AEAARO Fc1ccc[nH+]c1NN1CCCCC1 148245361 169088976 /nfs/dbraw/zinc/08/89/76/169088976.db2.gz WCAQMNQLGAWWCD-UHFFFAOYSA-N 1 0 195.241 2.034 50 0 AEAARO Fc1ccccc1[C@H]1CCC[NH2+]C1 14628980 169089428 /nfs/dbraw/zinc/08/94/28/169089428.db2.gz YOMCWKRMVZBBBD-VIFPVBQESA-N 1 0 179.238 2.293 50 0 AEAARO Fc1ccccc1[C@H]1CCC[NH2+]1 3732300 169089849 /nfs/dbraw/zinc/08/98/49/169089849.db2.gz NOJCVVKIBLHAGW-SNVBAGLBSA-N 1 0 165.211 2.250 50 0 in-vitro AEAARO Cc1nc(C(C)(C)C)oc1CCC[NH3+] 74241263 168931701 /nfs/dbraw/zinc/93/17/01/168931701.db2.gz SRVMYEPMRLEUSG-UHFFFAOYSA-N 1 0 196.294 2.172 50 0 AEAARO [NH3+]C[C@H]1CCSc2ccccc21 82396852 169216546 /nfs/dbraw/zinc/21/65/46/169216546.db2.gz JHGVEOQYLIGEIJ-MRVPVSSYSA-N 1 0 179.288 2.225 50 0 in-vitro AEAARO [NH3+]C[C@H]1CCCc2ccccc21 13473098 169216669 /nfs/dbraw/zinc/21/66/69/169216669.db2.gz FSEUPTSLGGJFNX-SNVBAGLBSA-N 1 0 161.248 2.065 50 0 in-vitro AEAARO [NH3+]C[C@H]1CCC[C@H](C(F)(F)F)C1 72283251 169216702 /nfs/dbraw/zinc/21/67/02/169216702.db2.gz WCQDDUFZBFJYIO-BQBZGAKWSA-N 1 0 181.201 2.314 50 0 in-vitro AEAARO [NH2+]=C(CCc1ccc(Cl)cc1)NO 148598338 169135787 /nfs/dbraw/zinc/13/57/87/169135787.db2.gz LVFFODAVROSRCN-UHFFFAOYSA-N 1 0 198.653 2.229 50 0 AEAARO NC(=[NH2+])C[C@H]1CCCc2ccccc21 75607140 169135958 /nfs/dbraw/zinc/13/59/58/169135958.db2.gz VGPUCWWLOXZNBC-SNVBAGLBSA-N 1 0 188.274 2.433 50 0 in-vitro AEAARO NC(=[NH2+])C[C@@H]1CCCc2ccccc21 75607143 169136130 /nfs/dbraw/zinc/13/61/30/169136130.db2.gz VGPUCWWLOXZNBC-JTQLQIEISA-N 1 0 188.274 2.433 50 0 in-vitro AEAARO NC(=[NH2+])C1(c2ccccc2)CCC1 62780144 169136199 /nfs/dbraw/zinc/13/61/99/169136199.db2.gz IGMOSBAMSAZCBJ-UHFFFAOYSA-N 1 0 174.247 2.044 50 0 AEAARO NC(=[NH2+])C1(c2ccc(Cl)cc2)CC1 84262592 169136343 /nfs/dbraw/zinc/13/63/43/169136343.db2.gz ZFODIMWFQJDACW-UHFFFAOYSA-N 1 0 194.665 2.308 50 0 AEAARO NC(=[NH2+])CCc1ccccc1Cl 14808266 169136527 /nfs/dbraw/zinc/13/65/27/169136527.db2.gz YDHCDDLSQBSZGS-UHFFFAOYSA-N 1 0 182.654 2.209 50 0 AEAARO NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 76414 169136681 /nfs/dbraw/zinc/13/66/81/169136681.db2.gz UMSZZMYJNYFCNL-UHFFFAOYSA-N 1 0 178.279 2.139 50 0 in-vitro AEAARO NC(=[NH2+])CCc1ccc(Cl)cc1 71499257 169137077 /nfs/dbraw/zinc/13/70/77/169137077.db2.gz RNCKFBINLFWUDF-UHFFFAOYSA-N 1 0 182.654 2.209 50 0 AEAARO NC(=[NH2+])c1cc(Cl)cc(Cl)c1 115281 169138969 /nfs/dbraw/zinc/13/89/69/169138969.db2.gz QJOTULWNKIGVIQ-UHFFFAOYSA-N 1 0 189.045 2.277 50 0 in-vitro AEAARO NC(=[NH2+])S[C@@H]1CCc2ccccc21 73647500 169139423 /nfs/dbraw/zinc/13/94/23/169139423.db2.gz DSALDLCJJRQODA-SECBINFHSA-N 1 0 192.287 2.301 50 0 AEAARO NC(=[NH2+])Sc1ccc(Cl)cc1 34133169 169139487 /nfs/dbraw/zinc/13/94/87/169139487.db2.gz VGEPJOGUSMXIOZ-UHFFFAOYSA-N 1 0 186.667 2.326 50 0 AEAARO NC(=[NH2+])[C@@H]1CCCc2ccccc21 63156942 169139494 /nfs/dbraw/zinc/13/94/94/169139494.db2.gz YLUBXIQMMDJLLC-SNVBAGLBSA-N 1 0 174.247 2.042 50 0 in-vitro AEAARO NC(=[NH2+])[C@H]1CCCc2ccccc21 63156941 169139618 /nfs/dbraw/zinc/13/96/18/169139618.db2.gz YLUBXIQMMDJLLC-JTQLQIEISA-N 1 0 174.247 2.042 50 0 in-vitro AEAARO NC(=[NH2+])Sc1c[nH]c2ccccc12 3866092 169139734 /nfs/dbraw/zinc/13/97/34/169139734.db2.gz PPSQBTGGGVXVPA-UHFFFAOYSA-N 1 0 191.259 2.153 50 0 in-vitro AEAARO NC(=[NH2+])S[C@H]1CCc2ccccc21 73647499 169140147 /nfs/dbraw/zinc/14/01/47/169140147.db2.gz DSALDLCJJRQODA-VIFPVBQESA-N 1 0 192.287 2.301 50 0 AEAARO NC(=[NH2+])c1ccc(-c2ccccc2)cn1 71186707 169140153 /nfs/dbraw/zinc/14/01/53/169140153.db2.gz ZWYZCIBWXUIESW-UHFFFAOYSA-N 1 0 197.241 2.033 50 0 in-vitro AEAARO NC(=[NH2+])c1c(Cl)cccc1Cl 1437476 169140199 /nfs/dbraw/zinc/14/01/99/169140199.db2.gz PQVLZHJNFSEYOS-UHFFFAOYSA-N 1 0 189.045 2.277 50 0 in-vitro AEAARO NC(=[NH2+])c1cccc(Cl)c1Cl 2599228 169140607 /nfs/dbraw/zinc/14/06/07/169140607.db2.gz AJVCKUGPVGPLRM-UHFFFAOYSA-N 1 0 189.045 2.277 50 0 in-vitro AEAARO NC(=[NH2+])c1ccc(Cl)cc1Cl 2599227 169140825 /nfs/dbraw/zinc/14/08/25/169140825.db2.gz NBWXTNUNIXZQKB-UHFFFAOYSA-N 1 0 189.045 2.277 50 0 in-vitro AEAARO NC(=[NH2+])c1csc2ccccc12 158717 169141405 /nfs/dbraw/zinc/14/14/05/169141405.db2.gz BCNRAFWCRSRDJT-UHFFFAOYSA-N 1 0 176.244 2.185 50 0 in-vitro AEAARO NC(=[NH2+])c1ccc2ccccc2c1 1442764 169141541 /nfs/dbraw/zinc/14/15/41/169141541.db2.gz URXJHZXEUUFNKM-UHFFFAOYSA-N 1 0 170.215 2.124 50 0 in-vitro AEAARO NC(=[NH2+])c1cccc(-c2ccccc2)n1 34264510 169141769 /nfs/dbraw/zinc/14/17/69/169141769.db2.gz PLAOURGAPYYYGD-UHFFFAOYSA-N 1 0 197.241 2.033 50 0 AEAARO NC(=[NH2+])c1ccc(Cl)c(Cl)c1 22124065 169141905 /nfs/dbraw/zinc/14/19/05/169141905.db2.gz CPEZERFURQWJFJ-UHFFFAOYSA-N 1 0 189.045 2.277 50 0 in-vitro AEAARO [NH2+]=C(c1ccccc1)N1CCCC1 3175450 169143046 /nfs/dbraw/zinc/14/30/46/169143046.db2.gz SJNCNSUREXJSER-UHFFFAOYSA-N 1 0 174.247 2.108 50 0 in-vitro AEAARO [NH2+]=C1CCCN1C1CCCCC1 8048460 169144304 /nfs/dbraw/zinc/14/43/04/169144304.db2.gz IVPMLDDVRIHTEZ-UHFFFAOYSA-N 1 0 166.268 2.392 50 0 AEAARO [NH2+]=C1CSc2ccccc2N1 336180 169144637 /nfs/dbraw/zinc/14/46/37/169144637.db2.gz SBZQHWWTOVFQFD-UHFFFAOYSA-N 1 0 164.233 2.181 50 0 in-vitro AEAARO [NH2+]=c1ccn(Cc2ccccc2)cc1 59391 169145371 /nfs/dbraw/zinc/14/53/71/169145371.db2.gz KHFPLJSUSKBXHP-UHFFFAOYSA-N 1 0 184.242 2.016 50 0 AEAARO [NH3+]C1(CCOCc2ccccc2)CC1 34596945 169168986 /nfs/dbraw/zinc/16/89/86/169168986.db2.gz LIHZSLPGGSIALW-UHFFFAOYSA-N 1 0 191.274 2.085 50 0 in-vitro AEAARO [NH3+]C1(CCc2ccccc2)CC1 54404906 169169047 /nfs/dbraw/zinc/16/90/47/169169047.db2.gz QJWGDFUGHBSFGX-UHFFFAOYSA-N 1 0 161.248 2.111 50 0 AEAARO [NH3+]C1(C2CCCCC2)CC1 19093005 169169573 /nfs/dbraw/zinc/16/95/73/169169573.db2.gz HXCXNQLYGHWDNM-UHFFFAOYSA-N 1 0 139.242 2.058 50 0 in-vitro AEAARO [NH3+]C1(C2CC2)CCCCC1 23789523 169169780 /nfs/dbraw/zinc/16/97/80/169169780.db2.gz JOTRHVBPLWECJQ-UHFFFAOYSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+]C1CC(c2ccc(F)cc2)C1 36840683 169171888 /nfs/dbraw/zinc/17/18/88/169171888.db2.gz CFLMANZBPHTXSM-UHFFFAOYSA-N 1 0 165.211 2.030 50 0 in-vitro AEAARO [NH3+]C1CCC(C(F)(F)F)CC1 12505446 169172091 /nfs/dbraw/zinc/17/20/91/169172091.db2.gz YCBWLMWEQURJHX-UHFFFAOYSA-N 1 0 167.174 2.066 50 0 AEAARO [NH3+]C1CC(c2ccccc2F)C1 36840690 169172346 /nfs/dbraw/zinc/17/23/46/169172346.db2.gz KMTGLBZVAORERK-UHFFFAOYSA-N 1 0 165.211 2.030 50 0 AEAARO [NH3+]C1CCC2(CCCC2)CC1 71256317 169173601 /nfs/dbraw/zinc/17/36/01/169173601.db2.gz QPIGFMXNPDOLDK-UHFFFAOYSA-N 1 0 153.269 2.448 50 0 AEAARO [NH3+]C1CCCCCCCC1 1709752 169173740 /nfs/dbraw/zinc/17/37/40/169173740.db2.gz APXZYWJATMOMHR-UHFFFAOYSA-N 1 0 141.258 2.448 50 0 AEAARO [NH3+]CC1(c2ccccc2Cl)CC1 13483662 169178011 /nfs/dbraw/zinc/17/80/11/169178011.db2.gz CRWHSVSJTVKGCI-UHFFFAOYSA-N 1 0 181.666 2.330 50 0 in-vitro AEAARO [NH3+]CCC(C(F)(F)F)C(F)(F)F 34216684 169178905 /nfs/dbraw/zinc/17/89/05/169178905.db2.gz JLTQPWIPCCFXIX-UHFFFAOYSA-N 1 0 195.106 2.076 50 0 in-vitro AEAARO [NH3+]CCC1CCCCCC1 4691786 169179120 /nfs/dbraw/zinc/17/91/20/169179120.db2.gz TVNJOEXFIFMSSH-UHFFFAOYSA-N 1 0 141.258 2.306 50 0 in-vitro AEAARO [NH3+]CCC1CCC(F)(F)CC1 90609066 169179240 /nfs/dbraw/zinc/17/92/40/169179240.db2.gz GNHDMWBANSWSNL-UHFFFAOYSA-N 1 0 163.211 2.161 50 0 in-vitro AEAARO [NH3+]CCC1=CCCCCC1 95829615 169179326 /nfs/dbraw/zinc/17/93/26/169179326.db2.gz UVHFHVLJBYJTQD-UHFFFAOYSA-N 1 0 139.242 2.226 50 0 in-vitro AEAARO [NH3+]CCC1(c2ccccc2)CC1 41167690 169179540 /nfs/dbraw/zinc/17/95/40/169179540.db2.gz JOJBLWZUHONAFV-UHFFFAOYSA-N 1 0 161.248 2.067 50 0 AEAARO [NH3+]CCC1C2CC3CC(C2)CC1C3 1859111 169179711 /nfs/dbraw/zinc/17/97/11/169179711.db2.gz QQIDWRBNXQXUMI-UHFFFAOYSA-N 1 0 179.307 2.408 50 0 in-vitro AEAARO [NH3+]CCCCCOC1CCCCC1 49582101 169180117 /nfs/dbraw/zinc/18/01/17/169180117.db2.gz JSYZYYRPCYNZCR-UHFFFAOYSA-N 1 0 185.311 2.465 50 0 in-vitro AEAARO [NH3+]CCCCCc1ccc(F)cc1 36156393 169180365 /nfs/dbraw/zinc/18/03/65/169180365.db2.gz VFCCGVDBQTUFMJ-UHFFFAOYSA-N 1 0 181.254 2.497 50 0 in-vitro AEAARO [NH3+]CCCCCC(F)(F)F 15442292 169180416 /nfs/dbraw/zinc/18/04/16/169180416.db2.gz GXTJUBNUNCEDMG-UHFFFAOYSA-N 1 0 155.163 2.068 50 0 AEAARO [NH3+]CCCCC1CCCC1 59951340 169180589 /nfs/dbraw/zinc/18/05/89/169180589.db2.gz LOQWQOCXBSNOCR-UHFFFAOYSA-N 1 0 141.258 2.306 50 0 in-vitro AEAARO [NH3+]CCCC1CCCCC1 2522706 169180610 /nfs/dbraw/zinc/18/06/10/169180610.db2.gz KPOYTMZDCUXJBP-UHFFFAOYSA-N 1 0 141.258 2.306 50 0 in-vitro AEAARO [NH3+]CCCCCc1ccccc1 1726903 169180888 /nfs/dbraw/zinc/18/08/88/169180888.db2.gz CGNLNKFBSBFJHY-UHFFFAOYSA-N 1 0 163.264 2.358 50 0 in-vitro AEAARO [NH3+]CCCCCOc1ccccc1 41201023 169180974 /nfs/dbraw/zinc/18/09/74/169180974.db2.gz WXFMHWZCFFQMAP-UHFFFAOYSA-N 1 0 179.263 2.194 50 0 AEAARO [NH3+]CCCCCCCCCCO 2389629 169181121 /nfs/dbraw/zinc/18/11/21/169181121.db2.gz SWVSKCPPMNGBGL-UHFFFAOYSA-N 1 0 173.300 2.058 50 0 in-vitro AEAARO [NH3+]CCCCCCCCCCCO 36438319 169181554 /nfs/dbraw/zinc/18/15/54/169181554.db2.gz QCSCNTGILDKNRW-UHFFFAOYSA-N 1 0 187.327 2.448 50 0 in-vitro AEAARO [NH3+]CCCCc1c[nH]c2ccccc12 2017364 169182564 /nfs/dbraw/zinc/18/25/64/169182564.db2.gz GZQBGZWAALHNBW-UHFFFAOYSA-N 1 0 188.274 2.449 50 0 in-vitro AEAARO [NH3+]CCCCOc1ccc(Cl)cc1 4218790 169182659 /nfs/dbraw/zinc/18/26/59/169182659.db2.gz VOYYLLGWJSAWRF-UHFFFAOYSA-N 1 0 199.681 2.458 50 0 in-vitro AEAARO [NH3+]CCCCc1ccccc1F 11596933 169182831 /nfs/dbraw/zinc/18/28/31/169182831.db2.gz ORHQNVQHOIVSTR-UHFFFAOYSA-N 1 0 167.227 2.107 50 0 AEAARO [NH3+]CCCCc1ccc(F)c(F)c1 36156482 169182863 /nfs/dbraw/zinc/18/28/63/169182863.db2.gz UKLXGBLKUSXMIU-UHFFFAOYSA-N 1 0 185.217 2.246 50 0 in-vitro AEAARO [NH3+]CCCCc1ccc(F)cc1 11596935 169182904 /nfs/dbraw/zinc/18/29/04/169182904.db2.gz VIYIIBCNUSHUSE-UHFFFAOYSA-N 1 0 167.227 2.107 50 0 in-vitro AEAARO [NH3+]CCCCOC1CCCCCC1 40227854 169182953 /nfs/dbraw/zinc/18/29/53/169182953.db2.gz IAVVRCMXODKEKL-UHFFFAOYSA-N 1 0 185.311 2.465 50 0 in-vitro AEAARO [NH3+]CCCOc1ccc(Cl)cc1 4511156 169184383 /nfs/dbraw/zinc/18/43/83/169184383.db2.gz MCLOWWAMHNUYTJ-UHFFFAOYSA-N 1 0 185.654 2.068 50 0 in-vitro AEAARO [NH3+]CCCc1c[nH]c2ccc(F)cc12 2534047 169184541 /nfs/dbraw/zinc/18/45/41/169184541.db2.gz JBFFCANWDYAYFN-UHFFFAOYSA-N 1 0 192.237 2.198 50 0 in-vitro AEAARO [NH3+]CCCSCc1ccccc1F 29866065 169184568 /nfs/dbraw/zinc/18/45/68/169184568.db2.gz DMYIFAMQXJFTJA-UHFFFAOYSA-N 1 0 199.294 2.408 50 0 in-vitro AEAARO [NH3+]CCCSc1ccccc1 1611246 169184603 /nfs/dbraw/zinc/18/46/03/169184603.db2.gz XJESCJCYQFZYDZ-UHFFFAOYSA-N 1 0 167.277 2.128 50 0 in-vitro AEAARO [NH3+]CCCOc1cccc(Cl)c1 16124134 169184888 /nfs/dbraw/zinc/18/48/88/169184888.db2.gz KZQPDVZJHZMSKO-UHFFFAOYSA-N 1 0 185.654 2.068 50 0 in-vitro AEAARO [NH3+]CCCOc1ccccc1Cl 11569601 169184957 /nfs/dbraw/zinc/18/49/57/169184957.db2.gz NVYNJCLTJFEQPQ-UHFFFAOYSA-N 1 0 185.654 2.068 50 0 in-vitro AEAARO [NH3+]CCCSC1CCCCC1 19093345 169185026 /nfs/dbraw/zinc/18/50/26/169185026.db2.gz IYRIBRIAXGCUFF-UHFFFAOYSA-N 1 0 173.325 2.401 50 0 in-vitro AEAARO [NH3+]CCCSCc1ccc(F)cc1 29866005 169185203 /nfs/dbraw/zinc/18/52/03/169185203.db2.gz NOKSFMXCGLVJMM-UHFFFAOYSA-N 1 0 199.294 2.408 50 0 in-vitro AEAARO [NH3+]CCCSc1ccc(F)cc1 2654592 169185256 /nfs/dbraw/zinc/18/52/56/169185256.db2.gz KGFSXFABRSWLDN-UHFFFAOYSA-N 1 0 185.267 2.267 50 0 in-vitro AEAARO [NH3+]CCCc1c(F)cccc1Cl 11596895 169185274 /nfs/dbraw/zinc/18/52/74/169185274.db2.gz PSOSGBJGAKLNTD-UHFFFAOYSA-N 1 0 187.645 2.370 50 0 AEAARO [NH3+]CCCc1c[nH]c2ccccc12 1708116 169185313 /nfs/dbraw/zinc/18/53/13/169185313.db2.gz OOIAXMPVZJKJHK-UHFFFAOYSA-N 1 0 174.247 2.059 50 0 in-vitro AEAARO [NH3+]CCCc1ccc(F)cc1Cl 35321570 169185606 /nfs/dbraw/zinc/18/56/06/169185606.db2.gz OGUCPNCOZNBEAS-UHFFFAOYSA-N 1 0 187.645 2.370 50 0 AEAARO [NH3+]CCCc1ccc(Cl)cc1F 82703664 169185655 /nfs/dbraw/zinc/18/56/55/169185655.db2.gz HOMZIWREVIWHRS-UHFFFAOYSA-N 1 0 187.645 2.370 50 0 AEAARO [NH3+]CCCc1nc2ccccc2s1 7978611 169185809 /nfs/dbraw/zinc/18/58/09/169185809.db2.gz DJRGJNBEQJJKMJ-UHFFFAOYSA-N 1 0 192.287 2.188 50 0 AEAARO [NH3+]CCCc1cc2ccccc2o1 44279520 169185857 /nfs/dbraw/zinc/18/58/57/169185857.db2.gz XNKKWHQEZWRCQY-UHFFFAOYSA-N 1 0 175.231 2.324 50 0 AEAARO [NH3+]CCCc1ccccc1Cl 4344259 169185961 /nfs/dbraw/zinc/18/59/61/169185961.db2.gz IBVNNEPIXJSRAS-UHFFFAOYSA-N 1 0 169.655 2.231 50 0 AEAARO [NH3+]CCCc1ccnc2ccccc12 38874900 169186016 /nfs/dbraw/zinc/18/60/16/169186016.db2.gz VEONADHCZDIKEW-UHFFFAOYSA-N 1 0 186.258 2.126 50 0 AEAARO [NH3+]CCCc1cccc(Cl)c1 11596878 169186222 /nfs/dbraw/zinc/18/62/22/169186222.db2.gz DWCPCBZNAUDRIX-UHFFFAOYSA-N 1 0 169.655 2.231 50 0 in-vitro AEAARO [NH3+]CCCc1ccc(Cl)s1 35321568 169186318 /nfs/dbraw/zinc/18/63/18/169186318.db2.gz QLTBPZNOWOEBDH-UHFFFAOYSA-N 1 0 175.684 2.293 50 0 in-vitro AEAARO [NH3+]CCCc1ccc(Cl)cc1 6658015 169186359 /nfs/dbraw/zinc/18/63/59/169186359.db2.gz RVLNDSYSQLMPRC-UHFFFAOYSA-N 1 0 169.655 2.231 50 0 in-vitro AEAARO [NH3+]CCCn1ccc2ccc(F)cc21 36947631 169187005 /nfs/dbraw/zinc/18/70/05/169187005.db2.gz DZSHACVEQDDGOD-UHFFFAOYSA-N 1 0 192.237 2.129 50 0 AEAARO [NH3+]CCNc1cccc2ccccc12 1700217 169189908 /nfs/dbraw/zinc/18/99/08/169189908.db2.gz NULAJYZBOLVQPQ-UHFFFAOYSA-N 1 0 186.258 2.210 50 0 in-vivo AEAARO [NH3+]C[C@H]1CCc2ccc(Cl)cc21 41201900 169216968 /nfs/dbraw/zinc/21/69/68/169216968.db2.gz YBJMNLSLYKNIDB-MRVPVSSYSA-N 1 0 181.666 2.329 50 0 AEAARO [NH3+]CCSC1CCCCC1 1733124 169191944 /nfs/dbraw/zinc/19/19/44/169191944.db2.gz MDNQNAWXAWNTFN-UHFFFAOYSA-N 1 0 159.298 2.011 50 0 in-vitro AEAARO [NH3+]CCOc1cccc2ccccc12 5876462 169191946 /nfs/dbraw/zinc/19/19/46/169191946.db2.gz BRBZLKKWMHCRNZ-UHFFFAOYSA-N 1 0 187.242 2.177 50 0 in-vitro AEAARO [NH3+]CCOc1ccc2ccccc2c1 4072772 169192167 /nfs/dbraw/zinc/19/21/67/169192167.db2.gz NGOMYFUIWZJUET-UHFFFAOYSA-N 1 0 187.242 2.177 50 0 in-vitro AEAARO [NH3+]CCSc1c[nH]c2ccccc12 2455183 169192751 /nfs/dbraw/zinc/19/27/51/169192751.db2.gz RZCPVVSHZUUUCW-UHFFFAOYSA-N 1 0 192.287 2.219 50 0 AEAARO [NH3+]CCSCc1ccccc1F 4206152 169192839 /nfs/dbraw/zinc/19/28/39/169192839.db2.gz OFXJIZFPXNTYGU-UHFFFAOYSA-N 1 0 185.267 2.018 50 0 AEAARO [NH3+]CCSCc1ccc(F)cc1 2383494 169192869 /nfs/dbraw/zinc/19/28/69/169192869.db2.gz ZZZHOBZYZWMETL-UHFFFAOYSA-N 1 0 185.267 2.018 50 0 in-vitro AEAARO [NH3+]CCSCc1cccc(F)c1 19441115 169192972 /nfs/dbraw/zinc/19/29/72/169192972.db2.gz BBQXJWALOWPPOB-UHFFFAOYSA-N 1 0 185.267 2.018 50 0 AEAARO [NH3+]CCSc1ccc(Cl)cc1 2558775 169193314 /nfs/dbraw/zinc/19/33/14/169193314.db2.gz DRRBWTYKNMYIMG-UHFFFAOYSA-N 1 0 187.695 2.391 50 0 in-vitro AEAARO [NH3+]CC[C@@H]1CCc2ccccc21 27750814 169193933 /nfs/dbraw/zinc/19/39/33/169193933.db2.gz KQLYVTCAUKHNRW-JTQLQIEISA-N 1 0 161.248 2.065 50 0 in-vitro AEAARO [NH3+]CC[C@@H]1CCc2ccccc2C1 43559458 169194034 /nfs/dbraw/zinc/19/40/34/169194034.db2.gz LXOFPYYEFRMREV-JTQLQIEISA-N 1 0 175.275 2.140 50 0 AEAARO [NH3+]CC[C@H]1CCc2ccccc21 27750824 169195714 /nfs/dbraw/zinc/19/57/14/169195714.db2.gz KQLYVTCAUKHNRW-SNVBAGLBSA-N 1 0 161.248 2.065 50 0 in-vitro AEAARO [NH3+]CC[C@H]1CCc2ccccc2C1 43559457 169195966 /nfs/dbraw/zinc/19/59/66/169195966.db2.gz LXOFPYYEFRMREV-SNVBAGLBSA-N 1 0 175.275 2.140 50 0 AEAARO [NH3+]CCc1cc2ccccc2s1 22863554 169196088 /nfs/dbraw/zinc/19/60/88/169196088.db2.gz CXXDPBZCQSWJEZ-UHFFFAOYSA-N 1 0 177.272 2.403 50 0 in-vitro AEAARO [NH3+]CCc1c[nH]c2ccc(Cl)cc12 77277 169196208 /nfs/dbraw/zinc/19/62/08/169196208.db2.gz FVQKQPVVCKOWLM-UHFFFAOYSA-N 1 0 194.665 2.323 50 0 biogenic,in-vitro AEAARO [NH3+]CCc1c[nH]c2c(Cl)cccc12 6093913 169196481 /nfs/dbraw/zinc/19/64/81/169196481.db2.gz QKRNGBURTLCWBQ-UHFFFAOYSA-N 1 0 194.665 2.323 50 0 in-vitro AEAARO [NH3+]CCc1c[nH]c2cccc(Cl)c12 11919696 169196653 /nfs/dbraw/zinc/19/66/53/169196653.db2.gz XBGZZDHALNZOLW-UHFFFAOYSA-N 1 0 194.665 2.323 50 0 in-vitro AEAARO [NH3+]CCc1c(Cl)cccc1Cl 404237 169196689 /nfs/dbraw/zinc/19/66/89/169196689.db2.gz ACIMQXSSGMWVKG-UHFFFAOYSA-N 1 0 190.073 2.495 50 0 in-vitro AEAARO [NH3+]CCc1cc(Cl)ccc1Cl 2598944 169196934 /nfs/dbraw/zinc/19/69/34/169196934.db2.gz KSKAHYBZLQUACF-UHFFFAOYSA-N 1 0 190.073 2.495 50 0 in-vitro AEAARO [NH3+]CCc1cc(Cl)cc(Cl)c1 34625837 169197022 /nfs/dbraw/zinc/19/70/22/169197022.db2.gz HEEUTZAJXBKBEJ-UHFFFAOYSA-N 1 0 190.073 2.495 50 0 in-vitro AEAARO [NH3+]CCc1c[nH]c2cc(Cl)ccc12 2583770 169197248 /nfs/dbraw/zinc/19/72/48/169197248.db2.gz LFASSSGQIDKFOU-UHFFFAOYSA-N 1 0 194.665 2.323 50 0 in-vitro AEAARO [NH3+]CCc1ccc(Cl)c(Cl)c1 404238 169197642 /nfs/dbraw/zinc/19/76/42/169197642.db2.gz MQPUAVYKVIHUJP-UHFFFAOYSA-N 1 0 190.073 2.495 50 0 in-vitro AEAARO [NH3+]CCc1ccc(C(F)(F)F)s1 82895389 169197656 /nfs/dbraw/zinc/19/76/56/169197656.db2.gz PRYRJWHPSRLJDH-UHFFFAOYSA-N 1 0 195.209 2.268 50 0 in-vitro AEAARO [NH3+]CCc1ccc(-c2cccnc2)cc1 31997414 169197775 /nfs/dbraw/zinc/19/77/75/169197775.db2.gz GTYDNSDPDKWAOD-UHFFFAOYSA-N 1 0 198.269 2.250 50 0 AEAARO [NH3+]CCc1ccc(C(F)F)cc1 44373079 169197793 /nfs/dbraw/zinc/19/77/93/169197793.db2.gz CJYIGUCFLFKBJC-UHFFFAOYSA-N 1 0 171.190 2.125 50 0 AEAARO [NH3+]CCc1ccc(Cl)cc1Cl 389701 169197861 /nfs/dbraw/zinc/19/78/61/169197861.db2.gz VHJKDOLGYMULOP-UHFFFAOYSA-N 1 0 190.073 2.495 50 0 in-vitro AEAARO [NH3+]CCc1ccccc1C(F)(F)F 1845697 169197892 /nfs/dbraw/zinc/19/78/92/169197892.db2.gz LIERORLYMWHXDL-UHFFFAOYSA-N 1 0 189.180 2.207 50 0 in-vitro AEAARO [NH3+]CCc1cccc(C(F)(F)F)c1 2389992 169197931 /nfs/dbraw/zinc/19/79/31/169197931.db2.gz BPVYCXMGJPKOTQ-UHFFFAOYSA-N 1 0 189.180 2.207 50 0 in-vitro AEAARO [NH3+]CCc1ccc2ccccc2c1 2380359 169197953 /nfs/dbraw/zinc/19/79/53/169197953.db2.gz ZOBYXAWBGJRPRG-UHFFFAOYSA-N 1 0 171.243 2.341 50 0 in-vitro AEAARO [NH3+]CCc1ccc(C(F)(F)F)cc1 2380362 169198014 /nfs/dbraw/zinc/19/80/14/169198014.db2.gz HMFOBPNVAAAACP-UHFFFAOYSA-N 1 0 189.180 2.207 50 0 in-vitro AEAARO [NH3+]CCc1cccc2ccccc12 2037633 169198154 /nfs/dbraw/zinc/19/81/54/169198154.db2.gz RUJHATQMIMUYKD-UHFFFAOYSA-N 1 0 171.243 2.341 50 0 in-vitro AEAARO [NH3+]CCc1ccc2sccc2c1 89195339 169198213 /nfs/dbraw/zinc/19/82/13/169198213.db2.gz ZKYPOEJMGRTQRA-UHFFFAOYSA-N 1 0 177.272 2.403 50 0 AEAARO [NH3+]CCc1cccc(Cl)c1Cl 2526834 169198304 /nfs/dbraw/zinc/19/83/04/169198304.db2.gz WWRLSNWKOZHYIY-UHFFFAOYSA-N 1 0 190.073 2.495 50 0 in-vitro AEAARO [NH3+]CCc1csc2c1CCCC2 6857789 169199334 /nfs/dbraw/zinc/19/93/34/169199334.db2.gz QWZNRJVGYXLBCJ-UHFFFAOYSA-N 1 0 181.304 2.128 50 0 AEAARO [NH3+]CCc1csc2ccccc12 2019119 169199460 /nfs/dbraw/zinc/19/94/60/169199460.db2.gz YWXDBWNXMZHMFX-UHFFFAOYSA-N 1 0 177.272 2.403 50 0 in-vitro AEAARO [NH3+]CCn1ccc2ccc(Cl)cc21 32500119 169201224 /nfs/dbraw/zinc/20/12/24/169201224.db2.gz UUGVQTXCDLSIOQ-UHFFFAOYSA-N 1 0 194.665 2.253 50 0 AEAARO [NH3+]CCn1ccc2c(Cl)cccc21 32500120 169201714 /nfs/dbraw/zinc/20/17/14/169201714.db2.gz VRXMBSSOAFZXHS-UHFFFAOYSA-N 1 0 194.665 2.253 50 0 AEAARO [NH3+]CCn1ccc2cc(Cl)ccc21 32500124 169201911 /nfs/dbraw/zinc/20/19/11/169201911.db2.gz LYEMDBHRTLIDHR-UHFFFAOYSA-N 1 0 194.665 2.253 50 0 in-vitro AEAARO [NH3+]C[C@@H](Cc1ccccc1)C1CC1 41199277 169203023 /nfs/dbraw/zinc/20/30/23/169203023.db2.gz VHPKDXJFGDKQKV-GFCCVEGCSA-N 1 0 175.275 2.214 50 0 AEAARO [NH3+]C[C@@H](c1ccccc1)C(F)(F)F 82719030 169206033 /nfs/dbraw/zinc/20/60/33/169206033.db2.gz YXAOXWPRTAEREJ-QMMMGPOBSA-N 1 0 189.180 2.291 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCCC[C@@H]1C1CC1 17918146 169206037 /nfs/dbraw/zinc/20/60/37/169206037.db2.gz YELFOQKIAVXWPJ-VHSXEESVSA-N 1 0 153.269 2.162 50 0 AEAARO [NH3+]C[C@@H](c1ccccc1)c1ccccn1 32009656 169206241 /nfs/dbraw/zinc/20/62/41/169206241.db2.gz ZLAZJIVHGNBAGG-LBPRGKRZSA-N 1 0 198.269 2.172 50 0 AEAARO [NH3+]C[C@@H]1CCCCC(F)(F)C1 238853022 169206609 /nfs/dbraw/zinc/20/66/09/169206609.db2.gz HXCVLHFQWIJTIL-SSDOTTSWSA-N 1 0 163.211 2.161 50 0 in-vitro AEAARO [NH3+]C[C@@H](c1ccccc1)C1CC1 19726172 169206672 /nfs/dbraw/zinc/20/66/72/169206672.db2.gz YJFNTOKQVRSFQZ-NSHDSACASA-N 1 0 161.248 2.139 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCCC[C@@H]1C(F)(F)F 72266379 169207095 /nfs/dbraw/zinc/20/70/95/169207095.db2.gz CZGOAYQUWPMQDF-BQBZGAKWSA-N 1 0 181.201 2.314 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCCc2ccccc21 13473097 169207604 /nfs/dbraw/zinc/20/76/04/169207604.db2.gz FSEUPTSLGGJFNX-JTQLQIEISA-N 1 0 161.248 2.065 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCCC[C@H]1C1CC1 17918150 169207690 /nfs/dbraw/zinc/20/76/90/169207690.db2.gz YELFOQKIAVXWPJ-UWVGGRQHSA-N 1 0 153.269 2.162 50 0 AEAARO [NH3+]C[C@@H]1CCCO[C@@H]1c1ccccc1 38342001 169207872 /nfs/dbraw/zinc/20/78/72/169207872.db2.gz PFCSXYMDUSDGAZ-NWDGAFQWSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 72283250 169208419 /nfs/dbraw/zinc/20/84/19/169208419.db2.gz WCQDDUFZBFJYIO-RNFRBKRXSA-N 1 0 181.201 2.314 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 72283252 169208427 /nfs/dbraw/zinc/20/84/27/169208427.db2.gz WCQDDUFZBFJYIO-RQJHMYQMSA-N 1 0 181.201 2.314 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCCO[C@H]1c1ccccc1 38342003 169208653 /nfs/dbraw/zinc/20/86/53/169208653.db2.gz PFCSXYMDUSDGAZ-RYUDHWBXSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCc2ccc(Cl)cc21 41201897 169209582 /nfs/dbraw/zinc/20/95/82/169209582.db2.gz YBJMNLSLYKNIDB-QMMMGPOBSA-N 1 0 181.666 2.329 50 0 AEAARO [NH3+]C[C@@H]1CCSc2ccccc21 82396851 169210287 /nfs/dbraw/zinc/21/02/87/169210287.db2.gz JHGVEOQYLIGEIJ-QMMMGPOBSA-N 1 0 179.288 2.225 50 0 in-vitro AEAARO [NH3+]C[C@@H]1C[C@H]1C1CCCCC1 54587110 169210600 /nfs/dbraw/zinc/21/06/00/169210600.db2.gz WYPPRMHABPCGAL-UWVGGRQHSA-N 1 0 153.269 2.162 50 0 AEAARO [NH3+]C[C@@H]1C[C@]12CCCc1ccccc12 54587393 169210715 /nfs/dbraw/zinc/21/07/15/169210715.db2.gz VMSMCNSSOIREHC-WCQYABFASA-N 1 0 187.286 2.239 50 0 in-vitro AEAARO [NH3+]C[C@@H]1C[C@H]1c1c(F)cccc1F 34893519 169210854 /nfs/dbraw/zinc/21/08/54/169210854.db2.gz CXXJOCRJAABWDN-NKWVEPMBSA-N 1 0 183.201 2.027 50 0 AEAARO [NH3+]C[C@H](Cc1ccccc1)C1CC1 41199274 169212054 /nfs/dbraw/zinc/21/20/54/169212054.db2.gz VHPKDXJFGDKQKV-LBPRGKRZSA-N 1 0 175.275 2.214 50 0 AEAARO [NH3+]C[C@H](c1ccccc1)C1CC1 19726171 169214015 /nfs/dbraw/zinc/21/40/15/169214015.db2.gz YJFNTOKQVRSFQZ-LLVKDONJSA-N 1 0 161.248 2.139 50 0 in-vitro AEAARO [NH3+]C[C@H](c1ccccc1)c1ccccn1 32009658 169214191 /nfs/dbraw/zinc/21/41/91/169214191.db2.gz ZLAZJIVHGNBAGG-GFCCVEGCSA-N 1 0 198.269 2.172 50 0 AEAARO [NH3+]C[C@H](c1ccccc1)C(F)(F)F 82719029 169214307 /nfs/dbraw/zinc/21/43/07/169214307.db2.gz YXAOXWPRTAEREJ-MRVPVSSYSA-N 1 0 189.180 2.291 50 0 in-vitro AEAARO [NH3+]C[C@H]1CCCC[C@@H]1C1CC1 17918148 169214697 /nfs/dbraw/zinc/21/46/97/169214697.db2.gz YELFOQKIAVXWPJ-NXEZZACHSA-N 1 0 153.269 2.162 50 0 AEAARO [NH3+]C[C@H]1CCCCC(F)(F)C1 238853023 169215073 /nfs/dbraw/zinc/21/50/73/169215073.db2.gz HXCVLHFQWIJTIL-ZETCQYMHSA-N 1 0 163.211 2.161 50 0 in-vitro AEAARO [NH3+]C[C@H]1CCCC[C@H]1C1CC1 17918153 169215483 /nfs/dbraw/zinc/21/54/83/169215483.db2.gz YELFOQKIAVXWPJ-ZJUUUORDSA-N 1 0 153.269 2.162 50 0 AEAARO [NH3+]C[C@H]1CCCO[C@H]1c1ccccc1 38342006 169215686 /nfs/dbraw/zinc/21/56/86/169215686.db2.gz PFCSXYMDUSDGAZ-NEPJUHHUSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 72283249 169215793 /nfs/dbraw/zinc/21/57/93/169215793.db2.gz WCQDDUFZBFJYIO-NKWVEPMBSA-N 1 0 181.201 2.314 50 0 in-vitro AEAARO [NH3+]C[C@H]1CCCO[C@@H]1c1ccccc1 38342004 169216023 /nfs/dbraw/zinc/21/60/23/169216023.db2.gz PFCSXYMDUSDGAZ-VXGBXAGGSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+]Cc1cc(C(F)(F)F)ccc1F 157349 169218326 /nfs/dbraw/zinc/21/83/26/169218326.db2.gz WIQWADYBGSRGCF-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1c(F)ccc(Cl)c1F 2574998 169218481 /nfs/dbraw/zinc/21/84/81/169218481.db2.gz VKKBGPPYRLLFIL-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 AEAARO [NH3+]Cc1c(Cl)cccc1Cl 2563299 169218493 /nfs/dbraw/zinc/21/84/93/169218493.db2.gz VLVLNNQMURDGPM-UHFFFAOYSA-N 1 0 176.046 2.452 50 0 in-vitro AEAARO [NH3+]Cc1cc(Cl)c(F)cc1F 14989315 169218514 /nfs/dbraw/zinc/21/85/14/169218514.db2.gz CZMMBJBQUHJIGX-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 AEAARO [NH3+]Cc1c(F)cccc1C(F)(F)F 54967514 169218520 /nfs/dbraw/zinc/21/85/20/169218520.db2.gz FCYVKQRWNQRCFE-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO Nc1ccc(Cl)c(Cl)c1C[NH3+] 4344120 169218536 /nfs/dbraw/zinc/21/85/36/169218536.db2.gz AUPHGODJXYLKQK-UHFFFAOYSA-N 1 0 191.061 2.034 50 0 AEAARO [NH3+]Cc1c(Cl)ccc(F)c1F 91252174 169218630 /nfs/dbraw/zinc/21/86/30/169218630.db2.gz JAGYKNBFONJOHV-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 AEAARO [NH3+]Cc1c(F)cc(Cl)cc1F 12359216 169218848 /nfs/dbraw/zinc/21/88/48/169218848.db2.gz YBILGZZEXORCAH-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 AEAARO Nc1c(Cl)cc(C[NH3+])cc1Cl 2524595 169218964 /nfs/dbraw/zinc/21/89/64/169218964.db2.gz VBBAIKLNWNJJJN-UHFFFAOYSA-N 1 0 191.061 2.034 50 0 in-vitro AEAARO [NH3+]Cc1c(F)ccc(F)c1Cl 2382101 169219423 /nfs/dbraw/zinc/21/94/23/169219423.db2.gz KDAQEMQCJMFSEP-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 in-vitro AEAARO [NH3+]Cc1cc(C2CC2)ccc1F 52886447 169219546 /nfs/dbraw/zinc/21/95/46/169219546.db2.gz LIPMVQGETXGBLZ-UHFFFAOYSA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+]Cc1c[nH]c2ccc(Cl)cc12 20269175 169219702 /nfs/dbraw/zinc/21/97/02/169219702.db2.gz WZHCQPLLALCYQP-UHFFFAOYSA-N 1 0 180.638 2.280 50 0 AEAARO Nc1c(Cl)cc(Cl)cc1C[NH3+] 44248709 169219841 /nfs/dbraw/zinc/21/98/41/169219841.db2.gz FGFGRHHZYOOWLA-UHFFFAOYSA-N 1 0 191.061 2.034 50 0 AEAARO [NH3+]Cc1cc2ccc(Cl)cc2[nH]1 82635111 169219884 /nfs/dbraw/zinc/21/98/84/169219884.db2.gz WWVAAHJCJQMGKD-UHFFFAOYSA-N 1 0 180.638 2.280 50 0 AEAARO [NH3+]Cc1cc2cc(F)ccc2s1 32625223 169220087 /nfs/dbraw/zinc/22/00/87/169220087.db2.gz VAFHNDAQEIJQSD-UHFFFAOYSA-N 1 0 181.235 2.499 50 0 in-vitro AEAARO [NH3+]Cc1cc(F)c(F)cc1Cl 12359208 169220144 /nfs/dbraw/zinc/22/01/44/169220144.db2.gz HCVWEOQXADFPSJ-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 AEAARO [NH3+]Cc1cc2c(Cl)nccc2s1 35270261 169220242 /nfs/dbraw/zinc/22/02/42/169220242.db2.gz LTEYSLHLONYRAK-UHFFFAOYSA-N 1 0 198.678 2.408 50 0 AEAARO [NH3+]Cc1cc2c(s1)CCCC2 12394573 169220359 /nfs/dbraw/zinc/22/03/59/169220359.db2.gz ZPGXZQGGSZNSOI-UHFFFAOYSA-N 1 0 167.277 2.086 50 0 in-vitro AEAARO [NH3+]Cc1cc(Cl)ccc1Cl 167027 169220422 /nfs/dbraw/zinc/22/04/22/169220422.db2.gz AKGJLIXNRPNPCH-UHFFFAOYSA-N 1 0 176.046 2.452 50 0 in-vitro AEAARO [NH3+]Cc1cc(F)cc(Cl)c1F 108369140 169220458 /nfs/dbraw/zinc/22/04/58/169220458.db2.gz HLAHKRGVUNUSOY-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 in-vitro AEAARO [NH3+]Cc1cc(F)c(Cl)cc1F 98209980 169220508 /nfs/dbraw/zinc/22/05/08/169220508.db2.gz UPIRDHDEXVPHCE-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 in-vitro AEAARO [NH3+]Cc1cc2cc(Cl)ccc2[nH]1 2576551 169220917 /nfs/dbraw/zinc/22/09/17/169220917.db2.gz JPXQQXPBWCBYCW-UHFFFAOYSA-N 1 0 180.638 2.280 50 0 in-vitro AEAARO [NH3+]Cc1cc(F)ccc1C(F)(F)F 2560182 169221119 /nfs/dbraw/zinc/22/11/19/169221119.db2.gz ZRDWPCJUMDGSCG-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1cc(F)cc(C(F)(F)F)c1 2169759 169221131 /nfs/dbraw/zinc/22/11/31/169221131.db2.gz ADHUUMWSWNPEMZ-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1cc(Cl)cc(Cl)c1 167016 169221290 /nfs/dbraw/zinc/22/12/90/169221290.db2.gz ICIJWOWQUHHETJ-UHFFFAOYSA-N 1 0 176.046 2.452 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2ccncc2)cc1 33428442 169221452 /nfs/dbraw/zinc/22/14/52/169221452.db2.gz ILJYDQMZEQMUBB-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 in-vitro AEAARO [NH3+]Cc1ccc(C(F)(F)F)s1 82873214 169221519 /nfs/dbraw/zinc/22/15/19/169221519.db2.gz URCNBRUCDNJABW-UHFFFAOYSA-N 1 0 181.182 2.226 50 0 AEAARO [NH3+]Cc1ccc(-c2ccco2)cc1 5177623 169221575 /nfs/dbraw/zinc/22/15/75/169221575.db2.gz TVKRLJUMZZXOHG-UHFFFAOYSA-N 1 0 173.215 2.405 50 0 AEAARO [NH3+]Cc1cc2sccc2s1 15021041 169221611 /nfs/dbraw/zinc/22/16/11/169221611.db2.gz HBYZEDBJHJWQLB-UHFFFAOYSA-N 1 0 169.274 2.422 50 0 AEAARO [NH3+]Cc1ccc(C(F)F)cc1 91305388 169221691 /nfs/dbraw/zinc/22/16/91/169221691.db2.gz MYVFDIOOJGKYKA-UHFFFAOYSA-N 1 0 157.163 2.083 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2ccccn2)cc1 33428437 169221803 /nfs/dbraw/zinc/22/18/03/169221803.db2.gz BXHXBVNRKRXSHM-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2ccccc2)o1 14949858 169221856 /nfs/dbraw/zinc/22/18/56/169221856.db2.gz HQHHWOJYOUTZHZ-UHFFFAOYSA-N 1 0 173.215 2.405 50 0 in-vivo AEAARO [NH3+]Cc1cc2ccccc2s1 64943 169221918 /nfs/dbraw/zinc/22/19/18/169221918.db2.gz WKYFWFHTABURGB-UHFFFAOYSA-N 1 0 163.245 2.360 50 0 in-vitro AEAARO [NH3+]Cc1ccc(C(F)(F)F)cc1 4219153 169221937 /nfs/dbraw/zinc/22/19/37/169221937.db2.gz PRDBLLIPPDOICK-UHFFFAOYSA-N 1 0 175.153 2.164 50 0 in-vitro AEAARO [NH3+]Cc1ccc(C(F)(F)F)cc1F 2545257 169221988 /nfs/dbraw/zinc/22/19/88/169221988.db2.gz MQTBAGAVFDZXKF-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1ccc(C23CC(C2)C3)cc1 238642172 169222077 /nfs/dbraw/zinc/22/20/77/169222077.db2.gz DJDAFISBHLZHMF-UHFFFAOYSA-N 1 0 173.259 2.197 50 0 in-vitro AEAARO [NH3+]Cc1ccc(Cl)cc1Cl 157574 169222141 /nfs/dbraw/zinc/22/21/41/169222141.db2.gz SJUKJZSTBBSGHF-UHFFFAOYSA-N 1 0 176.046 2.452 50 0 in-vitro AEAARO [NH3+]Cc1ccc(Cl)c(Cl)c1 404350 169222151 /nfs/dbraw/zinc/22/21/51/169222151.db2.gz IXHNFOOSLAWRBQ-UHFFFAOYSA-N 1 0 176.046 2.452 50 0 AEAARO [NH3+]Cc1ccc(-c2cccs2)nc1 12370507 169222181 /nfs/dbraw/zinc/22/21/81/169222181.db2.gz GFCYCUAXDJPKDB-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 AEAARO [NH3+]Cc1ccc(C2CC2)cc1 34195883 169222194 /nfs/dbraw/zinc/22/21/94/169222194.db2.gz XHGPNIFDHYUTOE-UHFFFAOYSA-N 1 0 147.221 2.023 50 0 in-vitro AEAARO [NH3+]Cc1ccc(F)c(C(F)(F)F)c1 156205 169222207 /nfs/dbraw/zinc/22/22/07/169222207.db2.gz HZDVQEUISWBXPV-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2cccnc2)cc1 8699699 169222228 /nfs/dbraw/zinc/22/22/28/169222228.db2.gz FUHDBJVMRRGFTR-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1ccc(F)c(Cl)c1F 12359275 169222419 /nfs/dbraw/zinc/22/24/19/169222419.db2.gz PIIMDRFSWYVCLQ-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2ccccn2)s1 158564 169222427 /nfs/dbraw/zinc/22/24/27/169222427.db2.gz IGRYOGKSDSSQDE-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2ccccc2)nc1 12370167 169222447 /nfs/dbraw/zinc/22/24/47/169222447.db2.gz YXWLMYSYKQXBQE-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 in-vitro AEAARO [NH3+]Cc1ccc(F)c(C2CC2)c1 32914705 169222578 /nfs/dbraw/zinc/22/25/78/169222578.db2.gz AEBMJKAYVCSCBJ-UHFFFAOYSA-N 1 0 165.211 2.162 50 0 AEAARO [NH3+]Cc1ccc(C(F)(F)F)c(F)c1 2560181 169222804 /nfs/dbraw/zinc/22/28/04/169222804.db2.gz XYWYEOHNURYGGP-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2nccs2)cc1 11886334 169222860 /nfs/dbraw/zinc/22/28/60/169222860.db2.gz MWGGYXKCGLWOGT-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 in-vitro AEAARO [NH3+]Cc1ccc(-c2ccoc2)cc1 68978233 169222871 /nfs/dbraw/zinc/22/28/71/169222871.db2.gz YDQLXTNSUWWUFZ-UHFFFAOYSA-N 1 0 173.215 2.405 50 0 AEAARO [NH3+]Cc1ccc(F)cc1C1CC1 82632756 169223208 /nfs/dbraw/zinc/22/32/08/169223208.db2.gz JJFBFYJRGADWOB-UHFFFAOYSA-N 1 0 165.211 2.162 50 0 AEAARO [NH3+]Cc1ccc(O)c2ccccc12 71450973 169223223 /nfs/dbraw/zinc/22/32/23/169223223.db2.gz NEXBEXIEUGVLCR-UHFFFAOYSA-N 1 0 173.215 2.004 50 0 AEAARO [NH3+]Cc1ccc(F)c2ccccc12 44248797 169223318 /nfs/dbraw/zinc/22/33/18/169223318.db2.gz ASTXAGNCIQOMGX-UHFFFAOYSA-N 1 0 175.206 2.438 50 0 AEAARO [NH3+]Cc1ccc(OC(F)(F)F)cc1 4262263 169223405 /nfs/dbraw/zinc/22/34/05/169223405.db2.gz DBGROTRFYBSUTR-UHFFFAOYSA-N 1 0 191.152 2.044 50 0 in-vitro AEAARO [NH3+]Cc1ccc(OC2CCCC2)cc1 9245901 169223657 /nfs/dbraw/zinc/22/36/57/169223657.db2.gz RGJQWOYBWZMZKZ-UHFFFAOYSA-N 1 0 191.274 2.467 50 0 in-vitro AEAARO [NH3+]Cc1ccc(F)cc1C(F)(F)F 157362 169223862 /nfs/dbraw/zinc/22/38/62/169223862.db2.gz BLQGRYYLPWCHMA-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1cccc(Cl)c1Cl 404005 169224005 /nfs/dbraw/zinc/22/40/05/169224005.db2.gz JHBVZGONNIVXFJ-UHFFFAOYSA-N 1 0 176.046 2.452 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1-c1cccnc1 5177651 169224011 /nfs/dbraw/zinc/22/40/11/169224011.db2.gz APSSIXBEZAGJTR-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1ccccc1C1CC1 17938966 169224045 /nfs/dbraw/zinc/22/40/45/169224045.db2.gz XSUSWKYDSROWDL-UHFFFAOYSA-N 1 0 147.221 2.023 50 0 in-vitro AEAARO [NH3+]Cc1cccc(C2CC2)c1 52886441 169224116 /nfs/dbraw/zinc/22/41/16/169224116.db2.gz KKROKOWBIBXNKW-UHFFFAOYSA-N 1 0 147.221 2.023 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1C(F)(F)F 2539339 169224187 /nfs/dbraw/zinc/22/41/87/169224187.db2.gz ZSKQIFWUTUZAGF-UHFFFAOYSA-N 1 0 175.153 2.164 50 0 AEAARO [NH3+]Cc1cccc(C(F)(F)F)c1F 2600081 169224205 /nfs/dbraw/zinc/22/42/05/169224205.db2.gz PQUYJDPJHOSOTN-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 in-vitro AEAARO [NH3+]Cc1ccc2sccc2c1 159027 169224259 /nfs/dbraw/zinc/22/42/59/169224259.db2.gz QUXRGPGYJFNJAG-UHFFFAOYSA-N 1 0 163.245 2.360 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1OC1CCCC1 9245900 169224302 /nfs/dbraw/zinc/22/43/02/169224302.db2.gz NYCBHEMCYMXECF-UHFFFAOYSA-N 1 0 191.274 2.467 50 0 in-vitro AEAARO [NH3+]Cc1cccc(F)c1C(F)(F)F 38529602 169224314 /nfs/dbraw/zinc/22/43/14/169224314.db2.gz KLMQAQHIEMIVDJ-UHFFFAOYSA-N 1 0 193.143 2.303 50 0 AEAARO [NH3+]Cc1cccc(-c2ccccn2)c1 33428436 169224348 /nfs/dbraw/zinc/22/43/48/169224348.db2.gz XCGMBXPNSVFNGC-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1cccc(OC(F)(F)F)c1 4290191 169224419 /nfs/dbraw/zinc/22/44/19/169224419.db2.gz TUPUHSXMDIWJQT-UHFFFAOYSA-N 1 0 191.152 2.044 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1CC(F)(F)F 82880860 169224439 /nfs/dbraw/zinc/22/44/39/169224439.db2.gz UIRJPAJYPWNTEJ-UHFFFAOYSA-N 1 0 189.180 2.250 50 0 AEAARO [NH3+]Cc1ccccc1-c1nccs1 11886340 169224501 /nfs/dbraw/zinc/22/45/01/169224501.db2.gz SOPXHMDTSKNCPC-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 AEAARO [NH3+]Cc1cccc(-c2nccs2)c1 11886338 169224504 /nfs/dbraw/zinc/22/45/04/169224504.db2.gz UGCRMJJXRCJZHJ-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 in-vitro AEAARO [NH3+]Cc1cccc(C23CC(C2)C3)c1 238643829 169224507 /nfs/dbraw/zinc/22/45/07/169224507.db2.gz BPDQVLNRPXGMNY-UHFFFAOYSA-N 1 0 173.259 2.197 50 0 AEAARO [NH3+]Cc1cccc2ccsc12 12370199 169224525 /nfs/dbraw/zinc/22/45/25/169224525.db2.gz PRBCWMLRLHKHKE-UHFFFAOYSA-N 1 0 163.245 2.360 50 0 in-vitro AEAARO [NH3+]Cc1cccc2c(O)cccc12 90225705 169224527 /nfs/dbraw/zinc/22/45/27/169224527.db2.gz PXQCMSAJWSZTNW-UHFFFAOYSA-N 1 0 173.215 2.004 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1-c1ccco1 12370320 169224584 /nfs/dbraw/zinc/22/45/84/169224584.db2.gz KUTREPQQCILHIM-UHFFFAOYSA-N 1 0 173.215 2.405 50 0 in-vitro AEAARO [NH3+]Cc1ccccc1OC(F)(F)F 165237 169224590 /nfs/dbraw/zinc/22/45/90/169224590.db2.gz FYXMMFFZMQMXCQ-UHFFFAOYSA-N 1 0 191.152 2.044 50 0 in-vitro AEAARO [NH3+]Cc1cccc(-c2cccnc2)c1 33428439 169224595 /nfs/dbraw/zinc/22/45/95/169224595.db2.gz LJBZNEQDDZADCX-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 in-vitro AEAARO [NH3+]Cc1cccc2c1CCCC2 83339726 169224597 /nfs/dbraw/zinc/22/45/97/169224597.db2.gz JPOZJSYBAPMNON-UHFFFAOYSA-N 1 0 161.248 2.024 50 0 AEAARO [NH3+]Cc1ccccc1C(F)F 91305784 169224616 /nfs/dbraw/zinc/22/46/16/169224616.db2.gz KMFXUUBMQYTOGY-UHFFFAOYSA-N 1 0 157.163 2.083 50 0 AEAARO [NH3+]Cc1cccc(-c2ccco2)c1 12370316 169224662 /nfs/dbraw/zinc/22/46/62/169224662.db2.gz NCGHHPAVCSSDMJ-UHFFFAOYSA-N 1 0 173.215 2.405 50 0 AEAARO [NH3+]Cc1cccc(C(F)F)c1 90608878 169224702 /nfs/dbraw/zinc/22/47/02/169224702.db2.gz LTULTTDUHMVBFD-UHFFFAOYSA-N 1 0 157.163 2.083 50 0 in-vitro AEAARO [NH3+]Cc1cccc(C(F)(F)F)c1 1841067 169224758 /nfs/dbraw/zinc/22/47/58/169224758.db2.gz YKNZTUQUXUXTLE-UHFFFAOYSA-N 1 0 175.153 2.164 50 0 in-vitro AEAARO [NH3+]Cc1cccc2ccccc12 1745892 169224812 /nfs/dbraw/zinc/22/48/12/169224812.db2.gz NVSYANRBXPURRQ-UHFFFAOYSA-N 1 0 157.216 2.299 50 0 in-vivo AEAARO [NH3+]Cc1cccc(OC2CCCC2)c1 22167756 169224828 /nfs/dbraw/zinc/22/48/28/169224828.db2.gz OGAAAPOGVITPMH-UHFFFAOYSA-N 1 0 191.274 2.467 50 0 in-vitro AEAARO [NH3+]Cc1cccc2sccc12 89195278 169224875 /nfs/dbraw/zinc/22/48/75/169224875.db2.gz TZFMFHJVMMZUJF-UHFFFAOYSA-N 1 0 163.245 2.360 50 0 in-vitro AEAARO [NH3+]Cc1cccc(-c2ccncc2)c1 33428441 169224944 /nfs/dbraw/zinc/22/49/44/169224944.db2.gz BNBPIAMMLAHLAM-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1cccnc1-c1ccccc1 82635607 169225176 /nfs/dbraw/zinc/22/51/76/169225176.db2.gz NNJGJDHZJMTFIV-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1ccnc(-c2ccccc2)c1 82635606 169225247 /nfs/dbraw/zinc/22/52/47/169225247.db2.gz BCFQOMBDKBGWDI-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1ccsc1C(F)(F)F 242649010 169225851 /nfs/dbraw/zinc/22/58/51/169225851.db2.gz RQYSJCRILBQIJH-UHFFFAOYSA-N 1 0 181.182 2.226 50 0 AEAARO [NH3+]Cc1cnc(-c2ccccc2)s1 38493 169226332 /nfs/dbraw/zinc/22/63/32/169226332.db2.gz PKLIUDDDCZOCFU-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 in-vitro AEAARO [NH3+]Cc1cncc(-c2ccccc2)c1 82635604 169227489 /nfs/dbraw/zinc/22/74/89/169227489.db2.gz HGZDYYSMCSCHRZ-UHFFFAOYSA-N 1 0 184.242 2.207 50 0 AEAARO [NH3+]Cc1csc(-c2cccs2)n1 158694 169228263 /nfs/dbraw/zinc/22/82/63/169228263.db2.gz VZBJIPJKJKKWPH-UHFFFAOYSA-N 1 0 196.300 2.330 50 0 in-vitro AEAARO [NH3+]Cc1csc2ccc(F)cc12 82873635 169228391 /nfs/dbraw/zinc/22/83/91/169228391.db2.gz JKYPXTAKSVLCGX-UHFFFAOYSA-N 1 0 181.235 2.499 50 0 AEAARO [NH3+]Cc1nc(-c2ccccc2)cs1 2545010 169228397 /nfs/dbraw/zinc/22/83/97/169228397.db2.gz AFSCUDNEJWEMEA-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 in-vitro AEAARO [NH3+]Cc1nc2c(ccc3ccccc32)[nH]1 5909108 169228694 /nfs/dbraw/zinc/22/86/94/169228694.db2.gz OLXCQAPSFQXYCE-UHFFFAOYSA-N 1 0 197.241 2.175 50 0 AEAARO [NH3+]Cc1csc2ccccc12 158714 169228744 /nfs/dbraw/zinc/22/87/44/169228744.db2.gz WHTPXNOFEHTZAD-UHFFFAOYSA-N 1 0 163.245 2.360 50 0 in-vitro AEAARO [NH3+]Cc1nc2cc3ccccc3cc2[nH]1 2483005 169229067 /nfs/dbraw/zinc/22/90/67/169229067.db2.gz AJKYFNXDRVSPJH-UHFFFAOYSA-N 1 0 197.241 2.175 50 0 AEAARO [NH3+]Cc1csc2c1CCCC2 4789015 169229382 /nfs/dbraw/zinc/22/93/82/169229382.db2.gz BDGQTXKDNSURFT-UHFFFAOYSA-N 1 0 167.277 2.086 50 0 in-vitro AEAARO [NH3+]Cc1csc(-c2ccccc2)n1 158876 169229479 /nfs/dbraw/zinc/22/94/79/169229479.db2.gz PMFCMLGAPHZRTE-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 in-vitro AEAARO [NH3+]Cc1nc2cc(Cl)ccc2s1 19815126 169229590 /nfs/dbraw/zinc/22/95/90/169229590.db2.gz VFULOPFTUQAWMP-UHFFFAOYSA-N 1 0 198.678 2.408 50 0 in-vitro AEAARO [NH3+]Cc1csc(C(F)(F)F)c1 83273876 169229694 /nfs/dbraw/zinc/22/96/94/169229694.db2.gz FVTUPSGMSCIQAI-UHFFFAOYSA-N 1 0 181.182 2.226 50 0 AEAARO [NH3+]Cc1scnc1-c1ccccc1 19093499 169232391 /nfs/dbraw/zinc/23/23/91/169232391.db2.gz WBOSMSPEYGADCU-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 AEAARO [NH3+]Cc1nsc2ccc(Cl)cc12 75601033 169232834 /nfs/dbraw/zinc/23/28/34/169232834.db2.gz XVGAOHPRNCVUTD-UHFFFAOYSA-N 1 0 198.678 2.408 50 0 AEAARO [NH3+][C@@H](CC1CC1)c1ccccc1 49729218 169242938 /nfs/dbraw/zinc/24/29/38/169242938.db2.gz CZNFPPQWCGEPGX-NSHDSACASA-N 1 0 161.248 2.487 50 0 AEAARO [NH3+][C@@H](C1CCCC1)C1CCC1 106855800 169242999 /nfs/dbraw/zinc/24/29/99/169242999.db2.gz SMICQCUOJANZEX-JTQLQIEISA-N 1 0 153.269 2.304 50 0 AEAARO [NH3+][C@@H](CC1CCCC1)c1ncccn1 53820581 169243003 /nfs/dbraw/zinc/24/30/03/169243003.db2.gz QRFMJIWTYOQQOK-JTQLQIEISA-N 1 0 191.278 2.057 50 0 AEAARO [NH3+][C@@H](CC(F)F)c1ccccc1 54681576 169243170 /nfs/dbraw/zinc/24/31/70/169243170.db2.gz OIMJQEDMHQJITI-QMMMGPOBSA-N 1 0 171.190 2.342 50 0 AEAARO [NH3+][C@@H](CCc1ccccc1)C(F)F 87687491 169244885 /nfs/dbraw/zinc/24/48/85/169244885.db2.gz PYIMECQVKFNUED-VIFPVBQESA-N 1 0 185.217 2.212 50 0 in-vitro AEAARO [NH3+][C@@H](CF)c1cccc(Cl)c1 20285879 169245159 /nfs/dbraw/zinc/24/51/59/169245159.db2.gz HMWKDSZQAOITIQ-QMMMGPOBSA-N 1 0 173.618 2.309 50 0 AEAARO [NH3+][C@@H](Cc1ccccc1)c1ccccn1 33966290 169247453 /nfs/dbraw/zinc/24/74/53/169247453.db2.gz UVVZCVILTRYDBS-LBPRGKRZSA-N 1 0 198.269 2.324 50 0 AEAARO [NH3+][C@@H](Cc1ccccc1)c1ccncc1 34061393 169247518 /nfs/dbraw/zinc/24/75/18/169247518.db2.gz NJLNPSNPLSKMMA-ZDUSSCGKSA-N 1 0 198.269 2.324 50 0 AEAARO [NH3+][C@@H](C[C@H]1CCOC1)c1ccccc1 54681541 169247894 /nfs/dbraw/zinc/24/78/94/169247894.db2.gz HYIULQRVPYFTAK-PWSUYJOCSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+][C@@H](C[C@@H]1CCOC1)c1ccccc1 54681534 169248293 /nfs/dbraw/zinc/24/82/93/169248293.db2.gz HYIULQRVPYFTAK-JQWIXIFHSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+][C@@H](Cc1ccccn1)c1ccccc1 6163 169248392 /nfs/dbraw/zinc/24/83/92/169248392.db2.gz FWUQWDCOOWEXRY-ZDUSSCGKSA-N 1 0 198.269 2.324 50 0 investigational AEAARO [NH3+][C@@H](Cc1cccnc1)C1CCCC1 53130659 169248435 /nfs/dbraw/zinc/24/84/35/169248435.db2.gz FFGCIBXIFBMSTE-LBPRGKRZSA-N 1 0 190.290 2.142 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccccc1)c1ccccn1 133211 169248911 /nfs/dbraw/zinc/24/89/11/169248911.db2.gz BAEZXIOBOOEPOS-LBPRGKRZSA-N 1 0 184.242 2.130 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccccc1)c1ccncc1 847172 169248929 /nfs/dbraw/zinc/24/89/29/169248929.db2.gz DNIOUOCUBMTIDC-LBPRGKRZSA-N 1 0 184.242 2.130 50 0 AEAARO [NH3+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 19421877 169248934 /nfs/dbraw/zinc/24/89/34/169248934.db2.gz JMAZFLXMFDYVDN-MNOVXSKESA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccccn1)C1CCCC1 37466277 169249073 /nfs/dbraw/zinc/24/90/73/169249073.db2.gz VRSXRUYHYMYXKO-LLVKDONJSA-N 1 0 176.263 2.272 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccc(F)cc1)C1CC1 3739116 169249223 /nfs/dbraw/zinc/24/92/23/169249223.db2.gz DMSWDNXXNCUYLN-SNVBAGLBSA-N 1 0 165.211 2.236 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 19421873 169249226 /nfs/dbraw/zinc/24/92/26/169249226.db2.gz JMAZFLXMFDYVDN-QWRGUYRKSA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccccc1)C1CCC1 19415850 169249365 /nfs/dbraw/zinc/24/93/65/169249365.db2.gz YVAXXHNMTBNQFD-NSHDSACASA-N 1 0 161.248 2.487 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccccc1)C1CCOCC1 61671340 169249375 /nfs/dbraw/zinc/24/93/75/169249375.db2.gz NZONHTNKOWGTPR-LBPRGKRZSA-N 1 0 191.274 2.113 50 0 AEAARO [NH3+][C@@H](c1ccccc1)c1ccc(O)cc1 4206133 169249381 /nfs/dbraw/zinc/24/93/81/169249381.db2.gz SORXTEGDLMCGFT-ZDUSSCGKSA-N 1 0 199.253 2.440 50 0 in-vitro AEAARO [NH3+][C@@H](c1ncccc1Cl)C1CC1 104451003 169249432 /nfs/dbraw/zinc/24/94/32/169249432.db2.gz XRTJTKZIRURIBJ-MRVPVSSYSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@@H](c1ccccc1)C1CC1 3739100 169249445 /nfs/dbraw/zinc/24/94/45/169249445.db2.gz UCRSQPUGEDLYSH-JTQLQIEISA-N 1 0 147.221 2.096 50 0 in-vitro AEAARO [NH3+][C@@H](c1cccc(F)c1)C1CC1 3739118 169249446 /nfs/dbraw/zinc/24/94/46/169249446.db2.gz BVAWKWBCPRVQCV-SNVBAGLBSA-N 1 0 165.211 2.236 50 0 AEAARO [NH3+][C@@H](c1ccccc1)c1cccnc1 4413657 169249499 /nfs/dbraw/zinc/24/94/99/169249499.db2.gz XDYKWHGBZMOSDC-LBPRGKRZSA-N 1 0 184.242 2.130 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccc(F)cc1F)C1CC1 3739478 169249538 /nfs/dbraw/zinc/24/95/38/169249538.db2.gz UNSUUWJOOWONDC-SNVBAGLBSA-N 1 0 183.201 2.375 50 0 in-vitro AEAARO [NH3+][C@@H](c1cc(F)ccc1F)C1CC1 3739476 169249627 /nfs/dbraw/zinc/24/96/27/169249627.db2.gz WTUQJXAMZDXBID-SNVBAGLBSA-N 1 0 183.201 2.375 50 0 in-vitro AEAARO [NH3+][C@@H](c1cccnc1Cl)C1CC1 95663366 169249632 /nfs/dbraw/zinc/24/96/32/169249632.db2.gz HISPZXLWRWEFGC-MRVPVSSYSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@@H](c1ccccc1)c1ccco1 4218171 169249644 /nfs/dbraw/zinc/24/96/44/169249644.db2.gz PUJSAEOHZQWRLE-NSHDSACASA-N 1 0 173.215 2.328 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccccn1)c1cccs1 58130699 169249669 /nfs/dbraw/zinc/24/96/69/169249669.db2.gz UNWCCCQRNJNHAJ-JTQLQIEISA-N 1 0 190.271 2.191 50 0 AEAARO [NH3+][C@@H](c1ccncc1Cl)C1CC1 95664916 169249699 /nfs/dbraw/zinc/24/96/99/169249699.db2.gz RWQFGQNRVHBSNE-SECBINFHSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@@H](c1ccnc(Cl)c1)C1CC1 104528179 169249773 /nfs/dbraw/zinc/24/97/73/169249773.db2.gz BIRRNNURRYIDRN-SECBINFHSA-N 1 0 182.654 2.145 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccc(F)c(F)c1)C1CC1 3739142 169249783 /nfs/dbraw/zinc/24/97/83/169249783.db2.gz HSTXBPDMFUVKHT-SNVBAGLBSA-N 1 0 183.201 2.375 50 0 AEAARO [NH3+][C@@H](c1ccccc1F)C1CC1 39952086 169249804 /nfs/dbraw/zinc/24/98/04/169249804.db2.gz ZGPDSOISFOQZLZ-SNVBAGLBSA-N 1 0 165.211 2.236 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccc(Cl)cn1)C1CC1 82707489 169249867 /nfs/dbraw/zinc/24/98/67/169249867.db2.gz SSHASSTUUGRIFR-SECBINFHSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@@H](c1cncc(Cl)c1)C1CC1 104451007 169249871 /nfs/dbraw/zinc/24/98/71/169249871.db2.gz AEUNWOSHQXIYBZ-SECBINFHSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@@H](c1cccs1)C1CC1 3739108 169249950 /nfs/dbraw/zinc/24/99/50/169249950.db2.gz AAQQXHHWWFZBRH-MRVPVSSYSA-N 1 0 153.250 2.158 50 0 in-vitro AEAARO [NH3+][C@@H](c1ccncc1)c1cccs1 19735745 169250036 /nfs/dbraw/zinc/25/00/36/169250036.db2.gz WYKAXGUAJSHNGL-JTQLQIEISA-N 1 0 190.271 2.191 50 0 AEAARO [NH3+][C@@H](c1ccccc1)c1ccoc1 35379501 169250173 /nfs/dbraw/zinc/25/01/73/169250173.db2.gz LCVVSTSZQSMUOK-NSHDSACASA-N 1 0 173.215 2.328 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC12CCCC2 34435886 169250225 /nfs/dbraw/zinc/25/02/25/169250225.db2.gz OHSZGDISGPXXHR-MRVPVSSYSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+][C@@H]1CC2(CCC2)Oc2ccccc21 74941813 169250695 /nfs/dbraw/zinc/25/06/95/169250695.db2.gz QFQGXOGAIJYSFK-SNVBAGLBSA-N 1 0 189.258 2.392 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC2(CCCC2)C1 76589730 169250907 /nfs/dbraw/zinc/25/09/07/169250907.db2.gz HTYGULHVQWFVBL-SECBINFHSA-N 1 0 153.269 2.448 50 0 AEAARO [NH3+][C@@H]1CCC12CCCCC2 95836099 169251303 /nfs/dbraw/zinc/25/13/03/169251303.db2.gz MAQFKOBNRQCKTJ-MRVPVSSYSA-N 1 0 139.242 2.058 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC[C@@H]1Oc1ccccc1 19280098 169251690 /nfs/dbraw/zinc/25/16/90/169251690.db2.gz BGJCAFDTQVYZEX-NEPJUHHUSA-N 1 0 191.274 2.335 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCN(c2ccccc2)CC1 76634735 169251703 /nfs/dbraw/zinc/25/17/03/169251703.db2.gz JVQOJFUZTCPWHE-LLVKDONJSA-N 1 0 190.290 2.004 50 0 AEAARO [NH3+][C@@H]1CCCCC[C@@H]1C(F)(F)F 88613758 169251903 /nfs/dbraw/zinc/25/19/03/169251903.db2.gz GTBQJLHESXHBSH-NKWVEPMBSA-N 1 0 181.201 2.456 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC[C@@H]1Cc1ccco1 4205242 169251917 /nfs/dbraw/zinc/25/19/17/169251917.db2.gz ZIBHXQIBGRPJQU-MWLCHTKSSA-N 1 0 179.263 2.340 50 0 AEAARO [NH3+][C@@H]1CCCC[C@H]1OC1CCCC1 54320130 169251940 /nfs/dbraw/zinc/25/19/40/169251940.db2.gz FYDJSOTYDBOKPP-GHMZBOCLSA-N 1 0 183.295 2.216 50 0 AEAARO [NH3+][C@@H]1CCCC[C@H]1Cc1ccco1 4205240 169251998 /nfs/dbraw/zinc/25/19/98/169251998.db2.gz ZIBHXQIBGRPJQU-GXSJLCMTSA-N 1 0 179.263 2.340 50 0 AEAARO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccccc1 39643025 169252005 /nfs/dbraw/zinc/25/20/05/169252005.db2.gz UWISRGCDRULEQO-NEPJUHHUSA-N 1 0 190.290 2.368 50 0 AEAARO [NH3+][C@@H]1CCCC[C@@H]1C(F)(F)F 12505613 169252040 /nfs/dbraw/zinc/25/20/40/169252040.db2.gz KHKJUJGNSSJMED-NTSWFWBYSA-N 1 0 167.174 2.066 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC[C@H]1Oc1ccccc1 19280102 169252047 /nfs/dbraw/zinc/25/20/47/169252047.db2.gz BGJCAFDTQVYZEX-VXGBXAGGSA-N 1 0 191.274 2.335 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC[C@H]1C(F)(F)F 12505615 169252134 /nfs/dbraw/zinc/25/21/34/169252134.db2.gz KHKJUJGNSSJMED-PHDIDXHHSA-N 1 0 167.174 2.066 50 0 AEAARO N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 19735497 169252361 /nfs/dbraw/zinc/25/23/61/169252361.db2.gz COVKJYPACMRCGA-LLVKDONJSA-N 1 0 196.338 2.132 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCC[C@H]1Nc1ccccc1 39643024 169252509 /nfs/dbraw/zinc/25/25/09/169252509.db2.gz UWISRGCDRULEQO-VXGBXAGGSA-N 1 0 190.290 2.368 50 0 AEAARO [NH3+][C@@H]1CCCCC[C@H]1C(F)(F)F 88613759 169252526 /nfs/dbraw/zinc/25/25/26/169252526.db2.gz GTBQJLHESXHBSH-RNFRBKRXSA-N 1 0 181.201 2.456 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCCc2ccccc21 5934757 169252534 /nfs/dbraw/zinc/25/25/34/169252534.db2.gz UFBOKWPYNNXYIS-LLVKDONJSA-N 1 0 161.248 2.413 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H]1OCc1ccccc1 2572634 169252673 /nfs/dbraw/zinc/25/26/73/169252673.db2.gz JIMSXLUBRRQALI-VXGBXAGGSA-N 1 0 191.274 2.083 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H]2CCCC[C@H]12 105033366 169252920 /nfs/dbraw/zinc/25/29/20/169252920.db2.gz RCURQHDMKQNLQF-KXUCPTDWSA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@@H](C(F)F)CC1 95829113 169252932 /nfs/dbraw/zinc/25/29/32/169252932.db2.gz RJACPYJEYMIIAL-RNFRBKRXSA-N 1 0 163.211 2.159 50 0 AEAARO [NH3+][C@@H]1CCCc2ccc(F)cc21 8699639 169252949 /nfs/dbraw/zinc/25/29/49/169252949.db2.gz ZUUYTHBAQDOFSC-SNVBAGLBSA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@@H]1OCc1ccccc1 33691152 169252971 /nfs/dbraw/zinc/25/29/71/169252971.db2.gz JIMSXLUBRRQALI-NEPJUHHUSA-N 1 0 191.274 2.083 50 0 AEAARO [NH3+][C@@H]1CCC[C@@H]2CCCC[C@@H]21 110246710 169252993 /nfs/dbraw/zinc/25/29/93/169252993.db2.gz RCURQHDMKQNLQF-LPEHRKFASA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H](C(F)(F)F)C1 8728672 169252995 /nfs/dbraw/zinc/25/29/95/169252995.db2.gz FFCACAFKNHPVNI-NTSWFWBYSA-N 1 0 167.174 2.066 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCc2sccc21 3164431 169253011 /nfs/dbraw/zinc/25/30/11/169253011.db2.gz VPBWFYNSOJYNJP-SSDOTTSWSA-N 1 0 153.250 2.084 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H]1c1ccc(F)cc1 60714053 169253060 /nfs/dbraw/zinc/25/30/60/169253060.db2.gz SBIOJANZHQTSRP-WDEREUQCSA-N 1 0 179.238 2.421 50 0 AEAARO [NH3+][C@@H]1CCCc2c(F)cc(F)cc21 8699651 169253070 /nfs/dbraw/zinc/25/30/70/169253070.db2.gz CUGDJBUUTWZPCY-SNVBAGLBSA-N 1 0 183.201 2.301 50 0 AEAARO [NH3+][C@@H]1CCC[C@H]1c1ccccc1 2037167 169253126 /nfs/dbraw/zinc/25/31/26/169253126.db2.gz VNGYTYNUZHDMPP-WDEREUQCSA-N 1 0 161.248 2.281 50 0 in-man AEAARO [NH3+][C@@H]1CCCc2cccc(F)c21 75835057 169253140 /nfs/dbraw/zinc/25/31/40/169253140.db2.gz QGWMJANWWZBAKE-SECBINFHSA-N 1 0 165.211 2.162 50 0 AEAARO [NH3+][C@@H]1CCC[C@@H]1Cc1ccccc1 6780114 169253230 /nfs/dbraw/zinc/25/32/30/169253230.db2.gz HZWLOFAMCMRCCI-VXGBXAGGSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H](C(F)F)CC1 95829112 169253264 /nfs/dbraw/zinc/25/32/64/169253264.db2.gz RJACPYJEYMIIAL-NKWVEPMBSA-N 1 0 163.211 2.159 50 0 AEAARO [NH3+][C@@H]1CCCc2cc(F)ccc21 72283255 169253269 /nfs/dbraw/zinc/25/32/69/169253269.db2.gz WEVSXXAELLQXOQ-SNVBAGLBSA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@@H]1c1ccccc1 2037166 169253287 /nfs/dbraw/zinc/25/32/87/169253287.db2.gz VNGYTYNUZHDMPP-GHMZBOCLSA-N 1 0 161.248 2.281 50 0 in-man AEAARO [NH3+][C@@H]1CCCc2ccccc21 3861296 169253412 /nfs/dbraw/zinc/25/34/12/169253412.db2.gz JRZGPXSSNPTNMA-SNVBAGLBSA-N 1 0 147.221 2.023 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@@H]1Cc1ccc(F)cc1 6780139 169253413 /nfs/dbraw/zinc/25/34/13/169253413.db2.gz QDTQPMOMFUJZMV-ZYHUDNBSSA-N 1 0 193.265 2.496 50 0 in-vitro AEAARO [NH3+][C@@H]1CCCc2c(F)cccc21 8699650 169253467 /nfs/dbraw/zinc/25/34/67/169253467.db2.gz YQYUGHNOJHWIJX-SNVBAGLBSA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@@H]2CCCC[C@H]21 17287551 169253495 /nfs/dbraw/zinc/25/34/95/169253495.db2.gz RCURQHDMKQNLQF-IVZWLZJFSA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H]2CCCC[C@@H]12 17287555 169253601 /nfs/dbraw/zinc/25/36/01/169253601.db2.gz RCURQHDMKQNLQF-OPRDCNLKSA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H]1Cc1ccc(F)cc1 22130022 169253603 /nfs/dbraw/zinc/25/36/03/169253603.db2.gz QDTQPMOMFUJZMV-CMPLNLGQSA-N 1 0 193.265 2.496 50 0 AEAARO [NH3+][C@@H]1CCC[C@@H](C(F)(F)F)C1 12505315 169253620 /nfs/dbraw/zinc/25/36/20/169253620.db2.gz FFCACAFKNHPVNI-PHDIDXHHSA-N 1 0 167.174 2.066 50 0 in-vitro AEAARO [NH3+][C@@H]1CCC[C@H]1Cc1ccccc1 22129950 169253684 /nfs/dbraw/zinc/25/36/84/169253684.db2.gz HZWLOFAMCMRCCI-NWDGAFQWSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@@H]1CCOc2c(Cl)cccc21 16082967 169254080 /nfs/dbraw/zinc/25/40/80/169254080.db2.gz YCWHOLRRUIEVQK-MRVPVSSYSA-N 1 0 183.638 2.122 50 0 in-vitro AEAARO [NH3+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 69851214 169254096 /nfs/dbraw/zinc/25/40/96/169254096.db2.gz KLNFGQMAZRFKQP-GHMZBOCLSA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@@H]1CCOc2cc(Cl)ccc21 74284279 169254108 /nfs/dbraw/zinc/25/41/08/169254108.db2.gz ZKRTWXXJEXSHCT-MRVPVSSYSA-N 1 0 183.638 2.122 50 0 AEAARO [NH3+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 86249366 169254311 /nfs/dbraw/zinc/25/43/11/169254311.db2.gz XTUXGVWPTSFKFT-ZJUUUORDSA-N 1 0 197.665 2.129 50 0 AEAARO [NH3+][C@@H]1CCOc2ccc(Cl)cc21 11849014 169254606 /nfs/dbraw/zinc/25/46/06/169254606.db2.gz DLMNYSHJWHCTOD-MRVPVSSYSA-N 1 0 183.638 2.122 50 0 in-vitro AEAARO [NH3+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 69851213 169254660 /nfs/dbraw/zinc/25/46/60/169254660.db2.gz KLNFGQMAZRFKQP-MNOVXSKESA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@@H]1CCSc2ccccc21 243007 169255227 /nfs/dbraw/zinc/25/52/27/169255227.db2.gz XMWQQTMIZMZZHJ-MRVPVSSYSA-N 1 0 165.261 2.182 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 12504797 169255233 /nfs/dbraw/zinc/25/52/33/169255233.db2.gz FFROQSBSJYRALS-OPRDCNLKSA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CCc2cc(Cl)ccc2C1 8699658 169255252 /nfs/dbraw/zinc/25/52/52/169255252.db2.gz CJRJTCMSQLEPFQ-SNVBAGLBSA-N 1 0 181.666 2.156 50 0 in-vitro AEAARO [NH3+][C@@H]1CCSc2c(F)cccc21 4218929 169255300 /nfs/dbraw/zinc/25/53/00/169255300.db2.gz RSQICZUGVXJDHV-MRVPVSSYSA-N 1 0 183.251 2.321 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C1 33826170 169255416 /nfs/dbraw/zinc/25/54/16/169255416.db2.gz ZNMXRCDHEJJIIK-GHMZBOCLSA-N 1 0 161.248 2.281 50 0 AEAARO [NH3+][C@@H]1CCc2c(Cl)cccc21 8699610 169255420 /nfs/dbraw/zinc/25/54/20/169255420.db2.gz AAXBDGLLOGVNDN-SECBINFHSA-N 1 0 167.639 2.286 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@H](c2ccccc2F)C1 58519354 169255486 /nfs/dbraw/zinc/25/54/86/169255486.db2.gz CQMMRSCAQIXNTN-DTWKUNHWSA-N 1 0 179.238 2.421 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 58519360 169255588 /nfs/dbraw/zinc/25/55/88/169255588.db2.gz UPLDSIAYBNJSTF-MWLCHTKSSA-N 1 0 179.238 2.421 50 0 AEAARO [NH3+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 4218861 169255645 /nfs/dbraw/zinc/25/56/45/169255645.db2.gz FFROQSBSJYRALS-LPEHRKFASA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@@H](c2ccccc2F)C1 58519351 169255649 /nfs/dbraw/zinc/25/56/49/169255649.db2.gz CQMMRSCAQIXNTN-RKDXNWHRSA-N 1 0 179.238 2.421 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@H](c2ccccc2)C1 33826172 169255760 /nfs/dbraw/zinc/25/57/60/169255760.db2.gz ZNMXRCDHEJJIIK-WDEREUQCSA-N 1 0 161.248 2.281 50 0 AEAARO [NH3+][C@@H]1CCSc2ccc(F)cc21 4218800 169255765 /nfs/dbraw/zinc/25/57/65/169255765.db2.gz MMNJIDRWJPJNRL-MRVPVSSYSA-N 1 0 183.251 2.321 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 4218860 169255861 /nfs/dbraw/zinc/25/58/61/169255861.db2.gz FFROQSBSJYRALS-IVZWLZJFSA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@@H](Cc2ccccc2)C1 70740936 169255986 /nfs/dbraw/zinc/25/59/86/169255986.db2.gz XYBQISJWMAKZSH-NWDGAFQWSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 58519363 169256059 /nfs/dbraw/zinc/25/60/59/169256059.db2.gz UPLDSIAYBNJSTF-GXSJLCMTSA-N 1 0 179.238 2.421 50 0 AEAARO [NH3+][C@@H]1CC[C@H](Cc2ccccc2)C1 70740937 169256090 /nfs/dbraw/zinc/25/60/90/169256090.db2.gz XYBQISJWMAKZSH-VXGBXAGGSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@@H]1CCc2cc(Cl)ccc21 19810474 169256127 /nfs/dbraw/zinc/25/61/27/169256127.db2.gz CCNOGOGUHOMLMI-SECBINFHSA-N 1 0 167.639 2.286 50 0 in-vitro AEAARO [NH3+][C@@H]1CCc2cc(F)c(F)c(F)c21 62706482 169256142 /nfs/dbraw/zinc/25/61/42/169256142.db2.gz AGLRNHNWBVPFHK-ZCFIWIBFSA-N 1 0 187.164 2.050 50 0 AEAARO [NH3+][C@H]1CC[C@H](C(F)(F)F)CC1 100638582 169256148 /nfs/dbraw/zinc/25/61/48/169256148.db2.gz YCBWLMWEQURJHX-OLQVQODUSA-N 1 0 167.174 2.066 50 0 AEAARO [NH3+][C@@H]1CCc2sc(Cl)cc21 88116780 169257024 /nfs/dbraw/zinc/25/70/24/169257024.db2.gz NFNYFBDVONTICE-RXMQYKEDSA-N 1 0 173.668 2.348 50 0 in-vitro AEAARO [NH3+][C@@H]1CCc2ccc(Cl)cc2C1 8699653 169257604 /nfs/dbraw/zinc/25/76/04/169257604.db2.gz YGTHAPVEIKCPDM-SNVBAGLBSA-N 1 0 181.666 2.156 50 0 in-vitro AEAARO [NH3+][C@@H]1CCc2ccc(Cl)cc21 8699602 169257785 /nfs/dbraw/zinc/25/77/85/169257785.db2.gz RDDLLTZZPGSGPO-SECBINFHSA-N 1 0 167.639 2.286 50 0 AEAARO [NH3+][C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 37381574 169258190 /nfs/dbraw/zinc/25/81/90/169258190.db2.gz SMNZDNYMLPJBCK-RKDXNWHRSA-N 1 0 199.200 2.103 50 0 AEAARO [NH3+][C@@H]1C[C@@H](F)c2ccccc21 95347642 169258632 /nfs/dbraw/zinc/25/86/32/169258632.db2.gz GPDPGXZINRVZAJ-RKDXNWHRSA-N 1 0 151.184 2.101 50 0 AEAARO [NH3+][C@@H]1C[C@@H]1c1cccc(Cl)c1 21989371 169258757 /nfs/dbraw/zinc/25/87/57/169258757.db2.gz BXWIHRPPNLMSME-RKDXNWHRSA-N 1 0 167.639 2.155 50 0 in-vitro AEAARO [NH3+][C@@H]1C[C@H](F)c2ccccc21 95347640 169258892 /nfs/dbraw/zinc/25/88/92/169258892.db2.gz GPDPGXZINRVZAJ-DTWKUNHWSA-N 1 0 151.184 2.101 50 0 AEAARO [NH3+][C@@H]1C[C@H]1c1ccccc1Cl 32006476 169259148 /nfs/dbraw/zinc/25/91/48/169259148.db2.gz RTSGJRWDGWWLFL-IONNQARKSA-N 1 0 167.639 2.155 50 0 AEAARO [NH3+][C@@H]1C[C@H]1c1ccccc1OC(F)F 37381245 169259168 /nfs/dbraw/zinc/25/91/68/169259168.db2.gz MMHSOZJIUICMIQ-JGVFFNPUSA-N 1 0 199.200 2.103 50 0 AEAARO [NH3+][C@@H]1C[C@H]1c1c(F)cccc1Cl 32007872 169259335 /nfs/dbraw/zinc/25/93/35/169259335.db2.gz OVXAANIGKVZHMA-SVGQVSJJSA-N 1 0 185.629 2.294 50 0 AEAARO [NH3+][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 37381571 169259458 /nfs/dbraw/zinc/25/94/58/169259458.db2.gz SMNZDNYMLPJBCK-DTWKUNHWSA-N 1 0 199.200 2.103 50 0 AEAARO [NH3+][C@@H]1C[C@H]1c1ccc(Cl)cc1 32006482 169259565 /nfs/dbraw/zinc/25/95/65/169259565.db2.gz VQLXPSANRSPTEZ-DTWKUNHWSA-N 1 0 167.639 2.155 50 0 in-vitro AEAARO [NH3+][C@@H]1Cc2cccc3cccc1c23 4769175 169259711 /nfs/dbraw/zinc/25/97/11/169259711.db2.gz LCYNDXQWJAMEAI-LLVKDONJSA-N 1 0 169.227 2.396 50 0 AEAARO [NH3+][C@@H]1C[C@H]1c1cccc(Cl)c1 21989375 169259969 /nfs/dbraw/zinc/25/99/69/169259969.db2.gz BXWIHRPPNLMSME-DTWKUNHWSA-N 1 0 167.639 2.155 50 0 in-vitro AEAARO [NH3+][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 43388980 169260039 /nfs/dbraw/zinc/26/00/39/169260039.db2.gz LVNZCEIVEMZSLV-IMTBSYHQSA-N 1 0 185.629 2.294 50 0 in-vitro AEAARO [NH3+][C@H](CC1CCCC1)c1ncccn1 53820579 169263715 /nfs/dbraw/zinc/26/37/15/169263715.db2.gz QRFMJIWTYOQQOK-SNVBAGLBSA-N 1 0 191.278 2.057 50 0 AEAARO [NH3+][C@H](CC1CC1)c1ccccc1 49729216 169263731 /nfs/dbraw/zinc/26/37/31/169263731.db2.gz CZNFPPQWCGEPGX-LLVKDONJSA-N 1 0 161.248 2.487 50 0 AEAARO [NH3+][C@H](CC(F)F)c1ccccc1 54681573 169264233 /nfs/dbraw/zinc/26/42/33/169264233.db2.gz OIMJQEDMHQJITI-MRVPVSSYSA-N 1 0 171.190 2.342 50 0 AEAARO [NH3+][C@H](CF)c1cccc(Cl)c1 20285882 169264858 /nfs/dbraw/zinc/26/48/58/169264858.db2.gz HMWKDSZQAOITIQ-MRVPVSSYSA-N 1 0 173.618 2.309 50 0 AEAARO [NH3+][C@H](CCc1ccccc1)C(F)F 87687492 169265491 /nfs/dbraw/zinc/26/54/91/169265491.db2.gz PYIMECQVKFNUED-SECBINFHSA-N 1 0 185.217 2.212 50 0 in-vitro AEAARO [NH3+][C@H](Cc1ccccn1)c1ccccc1 20429128 169267635 /nfs/dbraw/zinc/26/76/35/169267635.db2.gz FWUQWDCOOWEXRY-CYBMUJFWSA-N 1 0 198.269 2.324 50 0 in-man AEAARO [NH3+][C@H](C[C@@H]1CCOC1)c1ccccc1 54681531 169267774 /nfs/dbraw/zinc/26/77/74/169267774.db2.gz HYIULQRVPYFTAK-CMPLNLGQSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+][C@H](Cc1cccnc1)C1CCCC1 53130661 169268025 /nfs/dbraw/zinc/26/80/25/169268025.db2.gz FFGCIBXIFBMSTE-GFCCVEGCSA-N 1 0 190.290 2.142 50 0 in-vitro AEAARO [NH3+][C@H](C[C@H]1CCOC1)c1ccccc1 54681538 169268126 /nfs/dbraw/zinc/26/81/26/169268126.db2.gz HYIULQRVPYFTAK-ZYHUDNBSSA-N 1 0 191.274 2.113 50 0 in-vitro AEAARO [NH3+][C@H](Cc1ccccc1)c1ccccn1 33966291 169268726 /nfs/dbraw/zinc/26/87/26/169268726.db2.gz UVVZCVILTRYDBS-GFCCVEGCSA-N 1 0 198.269 2.324 50 0 AEAARO [NH3+][C@H](Cc1ccccc1)c1ccncc1 34061394 169268859 /nfs/dbraw/zinc/26/88/59/169268859.db2.gz NJLNPSNPLSKMMA-CYBMUJFWSA-N 1 0 198.269 2.324 50 0 AEAARO [NH3+][C@H](c1ncccc1Cl)C1CC1 104667710 169269074 /nfs/dbraw/zinc/26/90/74/169269074.db2.gz XRTJTKZIRURIBJ-QMMMGPOBSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@H](c1cccc(F)c1)C1CC1 3739119 169269117 /nfs/dbraw/zinc/26/91/17/169269117.db2.gz BVAWKWBCPRVQCV-JTQLQIEISA-N 1 0 165.211 2.236 50 0 AEAARO [NH3+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 19421875 169269131 /nfs/dbraw/zinc/26/91/31/169269131.db2.gz JMAZFLXMFDYVDN-GHMZBOCLSA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@H](c1cncc(Cl)c1)C1CC1 104669868 169269142 /nfs/dbraw/zinc/26/91/42/169269142.db2.gz AEUNWOSHQXIYBZ-VIFPVBQESA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@H](c1cccnc1Cl)C1CC1 95674685 169269158 /nfs/dbraw/zinc/26/91/58/169269158.db2.gz HISPZXLWRWEFGC-QMMMGPOBSA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@H](c1ccccc1)C1CCOCC1 61671341 169269245 /nfs/dbraw/zinc/26/92/45/169269245.db2.gz NZONHTNKOWGTPR-GFCCVEGCSA-N 1 0 191.274 2.113 50 0 AEAARO [NH3+][C@H](c1ccc(F)cc1F)C1CC1 3739479 169269323 /nfs/dbraw/zinc/26/93/23/169269323.db2.gz UNSUUWJOOWONDC-JTQLQIEISA-N 1 0 183.201 2.375 50 0 in-vitro AEAARO [NH3+][C@H](c1cc(F)ccc1F)C1CC1 3739477 169269356 /nfs/dbraw/zinc/26/93/56/169269356.db2.gz WTUQJXAMZDXBID-JTQLQIEISA-N 1 0 183.201 2.375 50 0 in-vitro AEAARO [NH3+][C@H](c1ccncc1)c1cccs1 19735746 169269419 /nfs/dbraw/zinc/26/94/19/169269419.db2.gz WYKAXGUAJSHNGL-SNVBAGLBSA-N 1 0 190.271 2.191 50 0 AEAARO [NH3+][C@H](c1ccccc1)C1CCC1 19415848 169269445 /nfs/dbraw/zinc/26/94/45/169269445.db2.gz YVAXXHNMTBNQFD-LLVKDONJSA-N 1 0 161.248 2.487 50 0 in-vitro AEAARO [NH3+][C@H](c1ccccn1)C1CCCC1 37466279 169269497 /nfs/dbraw/zinc/26/94/97/169269497.db2.gz VRSXRUYHYMYXKO-NSHDSACASA-N 1 0 176.263 2.272 50 0 in-vitro AEAARO [NH3+][C@H](c1ccccc1)c1ccco1 307335 169269525 /nfs/dbraw/zinc/26/95/25/169269525.db2.gz PUJSAEOHZQWRLE-LLVKDONJSA-N 1 0 173.215 2.328 50 0 in-vitro AEAARO [NH3+][C@H](c1ccncc1Cl)C1CC1 95682585 169269546 /nfs/dbraw/zinc/26/95/46/169269546.db2.gz RWQFGQNRVHBSNE-VIFPVBQESA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@H](c1ccccc1)c1ccoc1 35379502 169269557 /nfs/dbraw/zinc/26/95/57/169269557.db2.gz LCVVSTSZQSMUOK-LLVKDONJSA-N 1 0 173.215 2.328 50 0 in-vitro AEAARO [NH3+][C@H](c1ccc(F)c(F)c1)C1CC1 3739143 169269624 /nfs/dbraw/zinc/26/96/24/169269624.db2.gz HSTXBPDMFUVKHT-JTQLQIEISA-N 1 0 183.201 2.375 50 0 AEAARO [NH3+][C@H](c1ccccc1)c1cccnc1 4413658 169269641 /nfs/dbraw/zinc/26/96/41/169269641.db2.gz XDYKWHGBZMOSDC-GFCCVEGCSA-N 1 0 184.242 2.130 50 0 in-vitro AEAARO [NH3+][C@H](c1ccccc1)c1ccc(O)cc1 4206134 169269747 /nfs/dbraw/zinc/26/97/47/169269747.db2.gz SORXTEGDLMCGFT-CYBMUJFWSA-N 1 0 199.253 2.440 50 0 in-vitro AEAARO [NH3+][C@H](c1ccnc(Cl)c1)C1CC1 104669742 169269897 /nfs/dbraw/zinc/26/98/97/169269897.db2.gz BIRRNNURRYIDRN-VIFPVBQESA-N 1 0 182.654 2.145 50 0 in-vitro AEAARO [NH3+][C@H](c1cccs1)C1CC1 3739109 169269914 /nfs/dbraw/zinc/26/99/14/169269914.db2.gz AAQQXHHWWFZBRH-QMMMGPOBSA-N 1 0 153.250 2.158 50 0 in-vitro AEAARO [NH3+][C@H](c1ccc(F)cc1)C1CC1 3739117 169269939 /nfs/dbraw/zinc/26/99/39/169269939.db2.gz DMSWDNXXNCUYLN-JTQLQIEISA-N 1 0 165.211 2.236 50 0 AEAARO [NH3+][C@H](c1ccccc1)c1ccccn1 133216 169269940 /nfs/dbraw/zinc/26/99/40/169269940.db2.gz BAEZXIOBOOEPOS-GFCCVEGCSA-N 1 0 184.242 2.130 50 0 in-vitro AEAARO [NH3+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 19421871 169270084 /nfs/dbraw/zinc/27/00/84/169270084.db2.gz JMAZFLXMFDYVDN-WDEREUQCSA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@H](c1ccccc1F)C1CC1 39952087 169270176 /nfs/dbraw/zinc/27/01/76/169270176.db2.gz ZGPDSOISFOQZLZ-JTQLQIEISA-N 1 0 165.211 2.236 50 0 in-vitro AEAARO [NH3+][C@H](c1ccccn1)c1cccs1 58130705 169270234 /nfs/dbraw/zinc/27/02/34/169270234.db2.gz UNWCCCQRNJNHAJ-SNVBAGLBSA-N 1 0 190.271 2.191 50 0 AEAARO [NH3+][C@H](c1ccccc1)c1ccncc1 847173 169270237 /nfs/dbraw/zinc/27/02/37/169270237.db2.gz DNIOUOCUBMTIDC-GFCCVEGCSA-N 1 0 184.242 2.130 50 0 AEAARO [NH3+][C@H](c1ccccc1)C1CC1 3739101 169270321 /nfs/dbraw/zinc/27/03/21/169270321.db2.gz UCRSQPUGEDLYSH-SNVBAGLBSA-N 1 0 147.221 2.096 50 0 in-vitro AEAARO [NH3+][C@H]1CC2(CCC2)Oc2ccccc21 74941814 169271069 /nfs/dbraw/zinc/27/10/69/169271069.db2.gz QFQGXOGAIJYSFK-JTQLQIEISA-N 1 0 189.258 2.392 50 0 in-vitro AEAARO [NH3+][C@H]1CCC12CCCCC2 95836096 169271456 /nfs/dbraw/zinc/27/14/56/169271456.db2.gz MAQFKOBNRQCKTJ-QMMMGPOBSA-N 1 0 139.242 2.058 50 0 in-vitro AEAARO [NH3+][C@H]1CCCCC[C@@H]1C(F)(F)F 88613760 169271941 /nfs/dbraw/zinc/27/19/41/169271941.db2.gz GTBQJLHESXHBSH-BQBZGAKWSA-N 1 0 181.201 2.456 50 0 in-vitro AEAARO [NH3+][C@H]1CCCC[C@H]1Cc1ccco1 4205236 169272008 /nfs/dbraw/zinc/27/20/08/169272008.db2.gz ZIBHXQIBGRPJQU-ONGXEEELSA-N 1 0 179.263 2.340 50 0 AEAARO [NH3+][C@H]1CCCC[C@@H]1Cc1ccco1 4205238 169272022 /nfs/dbraw/zinc/27/20/22/169272022.db2.gz ZIBHXQIBGRPJQU-KOLCDFICSA-N 1 0 179.263 2.340 50 0 AEAARO [NH3+][C@H]1CCCC2(CCCC2)C1 76589724 169272120 /nfs/dbraw/zinc/27/21/20/169272120.db2.gz HTYGULHVQWFVBL-VIFPVBQESA-N 1 0 153.269 2.448 50 0 AEAARO [NH3+][C@H]1CCCC[C@H]1Oc1ccccc1 19280103 169272203 /nfs/dbraw/zinc/27/22/03/169272203.db2.gz BGJCAFDTQVYZEX-NWDGAFQWSA-N 1 0 191.274 2.335 50 0 in-vitro AEAARO [NH3+][C@H]1CCCCc2ccccc21 5934753 169272223 /nfs/dbraw/zinc/27/22/23/169272223.db2.gz UFBOKWPYNNXYIS-NSHDSACASA-N 1 0 161.248 2.413 50 0 in-vitro AEAARO [NH3+][C@H]1CCCC12CCCC2 34435884 169272250 /nfs/dbraw/zinc/27/22/50/169272250.db2.gz OHSZGDISGPXXHR-QMMMGPOBSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+][C@H]1CCCC[C@@H]1C(F)(F)F 12505614 169272516 /nfs/dbraw/zinc/27/25/16/169272516.db2.gz KHKJUJGNSSJMED-WDSKDSINSA-N 1 0 167.174 2.066 50 0 AEAARO [NH3+][C@H]1CCCC[C@H]1Nc1ccccc1 39643022 169272564 /nfs/dbraw/zinc/27/25/64/169272564.db2.gz UWISRGCDRULEQO-NWDGAFQWSA-N 1 0 190.290 2.368 50 0 AEAARO [NH3+][C@H]1CCCCC[C@H]1C(F)(F)F 88613761 169272572 /nfs/dbraw/zinc/27/25/72/169272572.db2.gz GTBQJLHESXHBSH-RQJHMYQMSA-N 1 0 181.201 2.456 50 0 in-vitro AEAARO [NH3+][C@H]1CCCC[C@@H]1Oc1ccccc1 19280100 169272646 /nfs/dbraw/zinc/27/26/46/169272646.db2.gz BGJCAFDTQVYZEX-RYUDHWBXSA-N 1 0 191.274 2.335 50 0 in-vitro AEAARO N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 19735498 169272759 /nfs/dbraw/zinc/27/27/59/169272759.db2.gz COVKJYPACMRCGA-NSHDSACASA-N 1 0 196.338 2.132 50 0 in-vitro AEAARO [NH3+][C@H]1CCCN(c2ccccc2)CC1 76634733 169272931 /nfs/dbraw/zinc/27/29/31/169272931.db2.gz JVQOJFUZTCPWHE-NSHDSACASA-N 1 0 190.290 2.004 50 0 AEAARO [NH3+][C@H]1CCCC[C@H]1C(F)(F)F 12505616 169272961 /nfs/dbraw/zinc/27/29/61/169272961.db2.gz KHKJUJGNSSJMED-RITPCOANSA-N 1 0 167.174 2.066 50 0 AEAARO [NH3+][C@H]1CCCC[C@@H]1Nc1ccccc1 39643023 169272968 /nfs/dbraw/zinc/27/29/68/169272968.db2.gz UWISRGCDRULEQO-RYUDHWBXSA-N 1 0 190.290 2.368 50 0 AEAARO [NH3+][C@H]1CCCc2c(F)cccc21 8699649 169273003 /nfs/dbraw/zinc/27/30/03/169273003.db2.gz YQYUGHNOJHWIJX-JTQLQIEISA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+][C@H]1CCCc2cccc(F)c21 75835059 169273127 /nfs/dbraw/zinc/27/31/27/169273127.db2.gz QGWMJANWWZBAKE-VIFPVBQESA-N 1 0 165.211 2.162 50 0 AEAARO [NH3+][C@H]1CCC[C@@H](C(F)F)CC1 95829115 169273211 /nfs/dbraw/zinc/27/32/11/169273211.db2.gz RJACPYJEYMIIAL-RQJHMYQMSA-N 1 0 163.211 2.159 50 0 AEAARO [NH3+][C@H]1CCC[C@H]1Cc1ccccc1 22129951 169273249 /nfs/dbraw/zinc/27/32/49/169273249.db2.gz HZWLOFAMCMRCCI-RYUDHWBXSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@H]1CCC[C@H](C(F)(F)F)C1 8728673 169273255 /nfs/dbraw/zinc/27/32/55/169273255.db2.gz FFCACAFKNHPVNI-WDSKDSINSA-N 1 0 167.174 2.066 50 0 in-vitro AEAARO [NH3+][C@H]1CCCc2cc(F)ccc21 74942080 169273301 /nfs/dbraw/zinc/27/33/01/169273301.db2.gz WEVSXXAELLQXOQ-JTQLQIEISA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+][C@H]1CCC[C@H]1OCc1ccccc1 33691151 169273383 /nfs/dbraw/zinc/27/33/83/169273383.db2.gz JIMSXLUBRRQALI-NWDGAFQWSA-N 1 0 191.274 2.083 50 0 AEAARO [NH3+][C@H]1CCC[C@@H]1Cc1ccc(F)cc1 22130021 169273465 /nfs/dbraw/zinc/27/34/65/169273465.db2.gz QDTQPMOMFUJZMV-PWSUYJOCSA-N 1 0 193.265 2.496 50 0 AEAARO [NH3+][C@H]1CCC[C@@H]1c1ccccc1 5934445 169273469 /nfs/dbraw/zinc/27/34/69/169273469.db2.gz VNGYTYNUZHDMPP-MNOVXSKESA-N 1 0 161.248 2.281 50 0 in-man AEAARO [NH3+][C@H]1CCC[C@H]1Cc1ccc(F)cc1 22130023 169273645 /nfs/dbraw/zinc/27/36/45/169273645.db2.gz QDTQPMOMFUJZMV-JQWIXIFHSA-N 1 0 193.265 2.496 50 0 AEAARO [NH3+][C@H]1CCC[C@@H]1Cc1ccccc1 22129949 169273654 /nfs/dbraw/zinc/27/36/54/169273654.db2.gz HZWLOFAMCMRCCI-NEPJUHHUSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@H]1CCC[C@@H](C(F)(F)F)C1 8728674 169273717 /nfs/dbraw/zinc/27/37/17/169273717.db2.gz FFCACAFKNHPVNI-RITPCOANSA-N 1 0 167.174 2.066 50 0 in-vitro AEAARO [NH3+][C@H]1CCC[C@@H]1OCc1ccccc1 5239764 169273723 /nfs/dbraw/zinc/27/37/23/169273723.db2.gz JIMSXLUBRRQALI-RYUDHWBXSA-N 1 0 191.274 2.083 50 0 AEAARO [NH3+][C@H]1CCC[C@H](C(F)F)CC1 95829114 169273726 /nfs/dbraw/zinc/27/37/26/169273726.db2.gz RJACPYJEYMIIAL-BQBZGAKWSA-N 1 0 163.211 2.159 50 0 AEAARO [NH3+][C@H]1CCC[C@H]1c1ccccc1 2037168 169273782 /nfs/dbraw/zinc/27/37/82/169273782.db2.gz VNGYTYNUZHDMPP-QWRGUYRKSA-N 1 0 161.248 2.281 50 0 in-man AEAARO [NH3+][C@H]1CCC[C@H]1Oc1ccccc1F 23070218 169273840 /nfs/dbraw/zinc/27/38/40/169273840.db2.gz FJVNCQVAONNZJP-GXSJLCMTSA-N 1 0 195.237 2.084 50 0 AEAARO [NH3+][C@H]1CCCc2ccc(F)cc21 8699640 169273878 /nfs/dbraw/zinc/27/38/78/169273878.db2.gz ZUUYTHBAQDOFSC-JTQLQIEISA-N 1 0 165.211 2.162 50 0 in-vitro AEAARO [NH3+][C@H]1CCCc2ccccc21 3861295 169273900 /nfs/dbraw/zinc/27/39/00/169273900.db2.gz JRZGPXSSNPTNMA-JTQLQIEISA-N 1 0 147.221 2.023 50 0 in-vivo AEAARO [NH3+][C@H]1CCCc2c(F)cc(F)cc21 8699652 169273925 /nfs/dbraw/zinc/27/39/25/169273925.db2.gz CUGDJBUUTWZPCY-JTQLQIEISA-N 1 0 183.201 2.301 50 0 in-vitro AEAARO [NH3+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 69851216 169274295 /nfs/dbraw/zinc/27/42/95/169274295.db2.gz KLNFGQMAZRFKQP-WDEREUQCSA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@H]1CCOc2c(Cl)cccc21 16082968 169274526 /nfs/dbraw/zinc/27/45/26/169274526.db2.gz YCWHOLRRUIEVQK-QMMMGPOBSA-N 1 0 183.638 2.122 50 0 in-vitro AEAARO [NH3+][C@H]1CCCc2sccc21 3164429 169275047 /nfs/dbraw/zinc/27/50/47/169275047.db2.gz VPBWFYNSOJYNJP-ZETCQYMHSA-N 1 0 153.250 2.084 50 0 in-vitro AEAARO [NH3+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 69851215 169275268 /nfs/dbraw/zinc/27/52/68/169275268.db2.gz KLNFGQMAZRFKQP-QWRGUYRKSA-N 1 0 195.237 2.005 50 0 in-vitro AEAARO [NH3+][C@H]1CCc2c(Cl)cccc21 8699609 169275444 /nfs/dbraw/zinc/27/54/44/169275444.db2.gz AAXBDGLLOGVNDN-VIFPVBQESA-N 1 0 167.639 2.286 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 58519356 169275560 /nfs/dbraw/zinc/27/55/60/169275560.db2.gz UPLDSIAYBNJSTF-KOLCDFICSA-N 1 0 179.238 2.421 50 0 AEAARO [NH3+][C@H]1CCc2ccc(Cl)cc21 8699603 169275616 /nfs/dbraw/zinc/27/56/16/169275616.db2.gz RDDLLTZZPGSGPO-VIFPVBQESA-N 1 0 167.639 2.286 50 0 AEAARO [NH3+][C@H]1CCSc2ccc(F)cc21 4218801 169275621 /nfs/dbraw/zinc/27/56/21/169275621.db2.gz MMNJIDRWJPJNRL-QMMMGPOBSA-N 1 0 183.251 2.321 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@@H](c2ccccc2F)C1 58519347 169275629 /nfs/dbraw/zinc/27/56/29/169275629.db2.gz CQMMRSCAQIXNTN-BDAKNGLRSA-N 1 0 179.238 2.421 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@H](c2ccccc2)C1 33826168 169275735 /nfs/dbraw/zinc/27/57/35/169275735.db2.gz ZNMXRCDHEJJIIK-QWRGUYRKSA-N 1 0 161.248 2.281 50 0 AEAARO [NH3+][C@H]1CCOc2ccc(Cl)cc21 11849015 169275788 /nfs/dbraw/zinc/27/57/88/169275788.db2.gz DLMNYSHJWHCTOD-QMMMGPOBSA-N 1 0 183.638 2.122 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@@H](C(F)(F)F)CC1 100638580 169276059 /nfs/dbraw/zinc/27/60/59/169276059.db2.gz YCBWLMWEQURJHX-IZLXSQMJSA-N 1 0 167.174 2.066 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@@H](c2ccccc2)C1 33826166 169276123 /nfs/dbraw/zinc/27/61/23/169276123.db2.gz ZNMXRCDHEJJIIK-MNOVXSKESA-N 1 0 161.248 2.281 50 0 AEAARO [NH3+][C@H]1CC[C@H](Cc2ccccc2)C1 70740935 169276190 /nfs/dbraw/zinc/27/61/90/169276190.db2.gz XYBQISJWMAKZSH-NEPJUHHUSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@H]1CCc2cc(F)c(F)c(F)c21 62706485 169276249 /nfs/dbraw/zinc/27/62/49/169276249.db2.gz AGLRNHNWBVPFHK-LURJTMIESA-N 1 0 187.164 2.050 50 0 AEAARO [NH3+][C@H]1CCSc2c(F)cccc21 4218928 169276253 /nfs/dbraw/zinc/27/62/53/169276253.db2.gz RSQICZUGVXJDHV-QMMMGPOBSA-N 1 0 183.251 2.321 50 0 in-vitro AEAARO [NH3+][C@H]1CCc2cc(Cl)ccc2C1 8699657 169276259 /nfs/dbraw/zinc/27/62/59/169276259.db2.gz CJRJTCMSQLEPFQ-JTQLQIEISA-N 1 0 181.666 2.156 50 0 in-vitro AEAARO [NH3+][C@H]1CCc2cc(Cl)ccc21 19810478 169276272 /nfs/dbraw/zinc/27/62/72/169276272.db2.gz CCNOGOGUHOMLMI-VIFPVBQESA-N 1 0 167.639 2.286 50 0 in-vitro AEAARO [NH3+][C@H]1CCSc2ccccc21 243006 169276303 /nfs/dbraw/zinc/27/63/03/169276303.db2.gz XMWQQTMIZMZZHJ-QMMMGPOBSA-N 1 0 165.261 2.182 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@H](c2ccccc2F)C1 58519349 169276342 /nfs/dbraw/zinc/27/63/42/169276342.db2.gz CQMMRSCAQIXNTN-IUCAKERBSA-N 1 0 179.238 2.421 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@@H](Cc2ccccc2)C1 70740934 169276381 /nfs/dbraw/zinc/27/63/81/169276381.db2.gz XYBQISJWMAKZSH-RYUDHWBXSA-N 1 0 175.275 2.357 50 0 in-vitro AEAARO [NH3+][C@H]1CC[C@H](c2ccc(F)cc2)C1 58519358 169276390 /nfs/dbraw/zinc/27/63/90/169276390.db2.gz UPLDSIAYBNJSTF-ONGXEEELSA-N 1 0 179.238 2.421 50 0 AEAARO [NH3+][C@H]1CCOc2cc(Cl)ccc21 74284276 169276393 /nfs/dbraw/zinc/27/63/93/169276393.db2.gz ZKRTWXXJEXSHCT-QMMMGPOBSA-N 1 0 183.638 2.122 50 0 AEAARO [NH3+][C@H]1CCc2ccc(Cl)cc2C1 8699654 169276434 /nfs/dbraw/zinc/27/64/34/169276434.db2.gz YGTHAPVEIKCPDM-JTQLQIEISA-N 1 0 181.666 2.156 50 0 in-vitro AEAARO [NH3+][C@H]1CCc2sc(Cl)cc21 88116778 169276748 /nfs/dbraw/zinc/27/67/48/169276748.db2.gz NFNYFBDVONTICE-YFKPBYRVSA-N 1 0 173.668 2.348 50 0 in-vitro AEAARO [NH3+][C@H]1C[C@H](c2cccc(F)c2)C1 238857018 169277905 /nfs/dbraw/zinc/27/79/05/169277905.db2.gz XSLDMMJERZWYLX-CZMCAQCFSA-N 1 0 165.211 2.030 50 0 AEAARO [NH3+][C@H]1C[C@@H]1c1cccc(Cl)c1 21989373 169277976 /nfs/dbraw/zinc/27/79/76/169277976.db2.gz BXWIHRPPNLMSME-BDAKNGLRSA-N 1 0 167.639 2.155 50 0 in-vitro AEAARO [NH3+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 242324426 169278121 /nfs/dbraw/zinc/27/81/21/169278121.db2.gz ZBEHDEHDILIUCW-GVJMRKKJSA-N 1 0 183.201 2.170 50 0 AEAARO [NH3+][C@H]1C[C@H](F)c2ccccc21 95347641 169278396 /nfs/dbraw/zinc/27/83/96/169278396.db2.gz GPDPGXZINRVZAJ-IUCAKERBSA-N 1 0 151.184 2.101 50 0 AEAARO [NH3+][C@H]1C[C@@H]1c1ccc(Cl)c(F)c1 43388978 169278610 /nfs/dbraw/zinc/27/86/10/169278610.db2.gz LVNZCEIVEMZSLV-MUWHJKNJSA-N 1 0 185.629 2.294 50 0 in-vitro AEAARO [NH3+][C@H]1C[C@H](c2ccccc2F)C1 238853725 169278713 /nfs/dbraw/zinc/27/87/13/169278713.db2.gz KMTGLBZVAORERK-ZKCHVHJHSA-N 1 0 165.211 2.030 50 0 AEAARO [NH3+][C@H]1C[C@@H](F)c2ccccc21 95347643 169278770 /nfs/dbraw/zinc/27/87/70/169278770.db2.gz GPDPGXZINRVZAJ-BDAKNGLRSA-N 1 0 151.184 2.101 50 0 AEAARO [NH3+][C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 37381568 169278777 /nfs/dbraw/zinc/27/87/77/169278777.db2.gz SMNZDNYMLPJBCK-BDAKNGLRSA-N 1 0 199.200 2.103 50 0 AEAARO [NH3+][C@H]1C[C@H](c2ccc(F)cc2)C1 238850635 169278791 /nfs/dbraw/zinc/27/87/91/169278791.db2.gz CFLMANZBPHTXSM-CZMCAQCFSA-N 1 0 165.211 2.030 50 0 AEAARO [NH3+][C@H]1C[C@H]1c1ccc(OC(F)F)cc1 37381565 169279116 /nfs/dbraw/zinc/27/91/16/169279116.db2.gz SMNZDNYMLPJBCK-IUCAKERBSA-N 1 0 199.200 2.103 50 0 AEAARO [NH3+][C@H]1Cc2cccc3cccc1c23 1663937 169279242 /nfs/dbraw/zinc/27/92/42/169279242.db2.gz LCYNDXQWJAMEAI-NSHDSACASA-N 1 0 169.227 2.396 50 0 AEAARO [NH3+][C@H]1C[C@H]1c1cccc(Cl)c1 21989378 169279825 /nfs/dbraw/zinc/27/98/25/169279825.db2.gz BXWIHRPPNLMSME-IUCAKERBSA-N 1 0 167.639 2.155 50 0 in-vitro AEAARO Nc1c2c([nH+]c3ccccc13)CCC2 4257702 169283349 /nfs/dbraw/zinc/28/33/49/169283349.db2.gz GYSCQDBTSDBCGY-UHFFFAOYSA-N 1 0 184.242 2.306 50 0 in-vitro AEAARO Nc1cc(CCc2ccccc2)cc[nH+]1 34183886 169285426 /nfs/dbraw/zinc/28/54/26/169285426.db2.gz VDMBMDXLWKXMIQ-UHFFFAOYSA-N 1 0 198.269 2.449 50 0 in-vitro AEAARO Nc1cc(OC2CCCCC2)cc[nH+]1 72192457 169287158 /nfs/dbraw/zinc/28/71/58/169287158.db2.gz HTXVZQZETSINFM-UHFFFAOYSA-N 1 0 192.262 2.375 50 0 AEAARO Nc1cc(Nc2ccccc2)cc[nH+]1 39067 169287523 /nfs/dbraw/zinc/28/75/23/169287523.db2.gz PJNARASVPLLKLH-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 in-vitro AEAARO Nc1cc2cc(Cl)ccc2cn1 91692374 169288516 /nfs/dbraw/zinc/28/85/16/169288516.db2.gz DNUVOMZZYSNDSU-UHFFFAOYSA-N 1 0 178.622 2.470 50 0 in-vitro AEAARO Nc1cc2ccc(Cl)cc2cn1 91692369 169288551 /nfs/dbraw/zinc/28/85/51/169288551.db2.gz BNICXCCUFXPCBF-UHFFFAOYSA-N 1 0 178.622 2.470 50 0 AEAARO Nc1cc2c(cn1)[nH]c1ccccc12 25302 169288618 /nfs/dbraw/zinc/28/86/18/169288618.db2.gz UGMPOJSWOINMDE-UHFFFAOYSA-N 1 0 183.214 2.298 50 0 in-vitro AEAARO Nc1cc2cccc(Cl)c2cn1 91692372 169289210 /nfs/dbraw/zinc/28/92/10/169289210.db2.gz YRJUVRFOIKEXMR-UHFFFAOYSA-N 1 0 178.622 2.470 50 0 in-vitro AEAARO Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 19504940 169295403 /nfs/dbraw/zinc/29/54/03/169295403.db2.gz YZMUYZRVSLJPIN-UHFFFAOYSA-N 1 0 187.246 2.413 50 0 in-vitro AEAARO Nc1ccc2[nH]c(C3CC3)[nH+]c2c1 19807347 169295950 /nfs/dbraw/zinc/29/59/50/169295950.db2.gz OPNFPQPOXBKHMM-UHFFFAOYSA-N 1 0 173.219 2.023 50 0 AEAARO Nc1cccc(Nc2cc[nH+]cc2)c1 19470703 169296348 /nfs/dbraw/zinc/29/63/48/169296348.db2.gz VVUXXNFYPNKDJY-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 in-vitro AEAARO Nc1ccccc1Nc1cc[nH+]cc1 1578896 169298434 /nfs/dbraw/zinc/29/84/34/169298434.db2.gz WDRQNOGGIOMQNA-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 in-vitro AEAARO Nc1ccccc1C[NH+]1CCCCC1 2599297 169298768 /nfs/dbraw/zinc/29/87/68/169298768.db2.gz ZNEGRJJRCWMFPZ-UHFFFAOYSA-N 1 0 190.290 2.255 50 0 in-vitro AEAARO Nc1ccccc1[C@@H]([NH3+])c1ccccc1 20272720 169298863 /nfs/dbraw/zinc/29/88/63/169298863.db2.gz SJCSSVLZFASSLN-ZDUSSCGKSA-N 1 0 198.269 2.317 50 0 in-vitro AEAARO Nc1ccccc1[C@H]([NH3+])c1ccccc1 20272722 169298888 /nfs/dbraw/zinc/29/88/88/169298888.db2.gz SJCSSVLZFASSLN-CYBMUJFWSA-N 1 0 198.269 2.317 50 0 in-vitro AEAARO Nc1cc[nH+]c(-c2cccc(C=O)c2)c1 74938264 169299451 /nfs/dbraw/zinc/29/94/51/169299451.db2.gz UJPCXXHCHFYZNW-UHFFFAOYSA-N 1 0 198.225 2.143 50 0 in-vitro AEAARO Nc1cc[nH+]c(-c2ccccc2)c1 2382960 169299847 /nfs/dbraw/zinc/29/98/47/169299847.db2.gz CHVKPWIABFICLK-UHFFFAOYSA-N 1 0 170.215 2.331 50 0 in-vitro AEAARO Nc1cc[nH+]c(-c2ccc(F)cc2)c1 47203676 169299949 /nfs/dbraw/zinc/29/99/49/169299949.db2.gz IEBCJUDHPGHCAD-UHFFFAOYSA-N 1 0 188.205 2.470 50 0 in-vitro AEAARO Nc1cc[nH+]cc1Nc1ccccc1 34545915 169300211 /nfs/dbraw/zinc/30/02/11/169300211.db2.gz GMECJKDYRASGPZ-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 AEAARO Nc1cc[nH+]cc1NCc1ccccc1 40435355 169300225 /nfs/dbraw/zinc/30/02/25/169300225.db2.gz SELGUEJXCMDJLV-UHFFFAOYSA-N 1 0 199.257 2.276 50 0 in-vitro AEAARO Nc1cc[nH+]cc1-c1ccccc1 47207257 169300436 /nfs/dbraw/zinc/30/04/36/169300436.db2.gz GRTBROPARUQBTJ-UHFFFAOYSA-N 1 0 170.215 2.331 50 0 in-vitro AEAARO Nc1cc[nH+]c(Nc2ccccc2)c1 43568518 169300467 /nfs/dbraw/zinc/30/04/67/169300467.db2.gz PJMJABNEAAUEDW-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 AEAARO Nc1cc[nH+]c2cc(Cl)ccc12 436635 169300713 /nfs/dbraw/zinc/30/07/13/169300713.db2.gz NDRZSRWMMUGOBP-UHFFFAOYSA-N 1 0 178.622 2.470 50 0 AEAARO Nc1cc[nH+]cc1Oc1ccccc1 4796 169301083 /nfs/dbraw/zinc/30/10/83/169301083.db2.gz SQYHOEIWHSFLOA-UHFFFAOYSA-N 1 0 186.214 2.456 50 0 in-vitro AEAARO Nc1cc[nH+]c2cccc(Cl)c12 71624712 169301214 /nfs/dbraw/zinc/30/12/14/169301214.db2.gz JQZNHGOMVIJEAJ-UHFFFAOYSA-N 1 0 178.622 2.470 50 0 in-vitro AEAARO Nc1c[nH+]ccc1Nc1ccccc1 20584609 169303038 /nfs/dbraw/zinc/30/30/38/169303038.db2.gz FVUVDAATDDOHKA-UHFFFAOYSA-N 1 0 185.230 2.407 50 0 AEAARO Nc1[nH]c2cccc3cccc([nH+]1)c32 16978457 169307644 /nfs/dbraw/zinc/30/76/44/169307644.db2.gz UNDUSVBXIVZGOQ-UHFFFAOYSA-N 1 0 183.214 2.298 50 0 in-vitro AEAARO Nc1[nH+]c2ccccc2n1CC1CC1 20586056 169308052 /nfs/dbraw/zinc/30/80/52/169308052.db2.gz WWFYTACYBRMYFI-UHFFFAOYSA-N 1 0 187.246 2.029 50 0 AEAARO Nc1[nH]cc(-c2ccc(Cl)cc2)[nH+]1 19091526 169308342 /nfs/dbraw/zinc/30/83/42/169308342.db2.gz YAMJPTFYDZETMP-UHFFFAOYSA-N 1 0 193.637 2.312 50 0 AEAARO O=C(C[C@@H]1CCC[NH2+]1)c1cccs1 72312126 169321970 /nfs/dbraw/zinc/32/19/70/169321970.db2.gz PYYRIZPEPKWFCQ-QMMMGPOBSA-N 1 0 195.287 2.073 50 0 in-vitro AEAARO O=C(C[C@@H]1CCC[NH2+]1)c1ccccc1 34241699 169322014 /nfs/dbraw/zinc/32/20/14/169322014.db2.gz SJHOOUNXLQLKHI-NSHDSACASA-N 1 0 189.258 2.011 50 0 AEAARO O=C(C[C@H]1CCC[NH2+]1)c1ccccc1 34241701 169322809 /nfs/dbraw/zinc/32/28/09/169322809.db2.gz SJHOOUNXLQLKHI-LLVKDONJSA-N 1 0 189.258 2.011 50 0 AEAARO O=C(C[C@H]1CCC[NH2+]1)c1cccs1 72312127 169323247 /nfs/dbraw/zinc/32/32/47/169323247.db2.gz PYYRIZPEPKWFCQ-MRVPVSSYSA-N 1 0 195.287 2.073 50 0 in-vitro AEAARO O=C(c1ccccc1)[C@@H]1CCCC[NH2+]1 58327472 169362606 /nfs/dbraw/zinc/36/26/06/169362606.db2.gz OXNQBVSEZJBIRI-NSHDSACASA-N 1 0 189.258 2.011 50 0 in-vitro AEAARO O=C(c1ccccc1)[C@H]1CCCC[NH2+]1 58327477 169363478 /nfs/dbraw/zinc/36/34/78/169363478.db2.gz OXNQBVSEZJBIRI-LLVKDONJSA-N 1 0 189.258 2.011 50 0 in-vitro AEAARO O=C1CCCC[C@@H]1[C@H]1CCCCC[NH2+]1 74941807 169370344 /nfs/dbraw/zinc/37/03/44/169370344.db2.gz UIQMKPCYIKPHKY-GHMZBOCLSA-N 1 0 195.306 2.278 50 0 in-vitro AEAARO O=C1CCCC[C@@H]1[NH+]1CCCCCC1 37332619 169370461 /nfs/dbraw/zinc/37/04/61/169370461.db2.gz IJRYZNMWTAVFKX-NSHDSACASA-N 1 0 195.306 2.374 50 0 in-vitro AEAARO O=C1CCCC[C@@H]1C[NH+]1CCCCC1 626 169370495 /nfs/dbraw/zinc/37/04/95/169370495.db2.gz PRFPQYGTPKDLHJ-LLVKDONJSA-N 1 0 195.306 2.232 50 0 in-man AEAARO O=C1CCCC[C@@H]1[C@@H]1CCCCC[NH2+]1 74941808 169370972 /nfs/dbraw/zinc/37/09/72/169370972.db2.gz UIQMKPCYIKPHKY-MNOVXSKESA-N 1 0 195.306 2.278 50 0 in-vitro AEAARO O=C1CCCC[C@H]1[C@H]1CCCCC[NH2+]1 74941802 169371268 /nfs/dbraw/zinc/37/12/68/169371268.db2.gz UIQMKPCYIKPHKY-WDEREUQCSA-N 1 0 195.306 2.278 50 0 in-vitro AEAARO O=C1CCCC[C@H]1[NH+]1CCCCCC1 37332617 169371272 /nfs/dbraw/zinc/37/12/72/169371272.db2.gz IJRYZNMWTAVFKX-LLVKDONJSA-N 1 0 195.306 2.374 50 0 in-vitro AEAARO O=C1CCCC[C@H]1C[NH+]1CCCCC1 204584 169371331 /nfs/dbraw/zinc/37/13/31/169371331.db2.gz PRFPQYGTPKDLHJ-NSHDSACASA-N 1 0 195.306 2.232 50 0 in-man AEAARO O=C1CCCC[C@H]1[C@@H]1CCCCC[NH2+]1 74941804 169372236 /nfs/dbraw/zinc/37/22/36/169372236.db2.gz UIQMKPCYIKPHKY-QWRGUYRKSA-N 1 0 195.306 2.278 50 0 in-vitro AEAARO O=C1CC[NH+](CC2CCCCC2)CC1 19512479 169373536 /nfs/dbraw/zinc/37/35/36/169373536.db2.gz NDBCDBUOZCCWQQ-UHFFFAOYSA-N 1 0 195.306 2.232 50 0 in-vitro AEAARO O=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CCCC1 19089994 169381416 /nfs/dbraw/zinc/38/14/16/169381416.db2.gz SEQOWFVBIFCUEJ-PHIMTYICSA-N 1 0 193.290 2.125 50 0 AEAARO OCCCC[NH2+]CC[C@H]1C=CCCC1 12403777 169425180 /nfs/dbraw/zinc/42/51/80/169425180.db2.gz NVELTLDYYSDWNY-LBPRGKRZSA-N 1 0 197.322 2.095 50 0 in-vitro AEAARO OC[C@@H]1CCC[N@@H+]1C1CCCCCC1 217713 169431237 /nfs/dbraw/zinc/43/12/37/169431237.db2.gz XORALHSMSCFBTA-LBPRGKRZSA-N 1 0 197.322 2.166 50 0 AEAARO C#[N+]c1ccc(F)cc1 95713366 169467202 /nfs/dbraw/zinc/46/72/02/169467202.db2.gz FEUHGXVGNQTPGQ-UHFFFAOYSA-N 1 0 121.114 2.376 50 0 in-vitro AEAARO C#[N+]c1ccc(OC)cc1OC 95698182 169467325 /nfs/dbraw/zinc/46/73/25/169467325.db2.gz UWUHRFMQCCSKEO-UHFFFAOYSA-N 1 0 163.176 2.255 50 0 in-vitro AEAARO C#[N+]c1ccc(OC)cc1 95697954 169467350 /nfs/dbraw/zinc/46/73/50/169467350.db2.gz MIEQKTRWKZYUPY-UHFFFAOYSA-N 1 0 133.150 2.246 50 0 in-vitro AEAARO C#[N+]c1ccc(C(C)=O)cc1 55843138 169467375 /nfs/dbraw/zinc/46/73/75/169467375.db2.gz HFXQIIKTWJEFDJ-UHFFFAOYSA-N 1 0 145.161 2.440 50 0 AEAARO c1cc(C[NH2+]C[C@H]2CCCO2)cs1 7524990 169470768 /nfs/dbraw/zinc/47/07/68/169470768.db2.gz ZFFUGRZKROKZCW-SNVBAGLBSA-N 1 0 197.303 2.017 50 0 AEAARO c1cc(C[NH2+]C2CCCC2)ccn1 570735 169471284 /nfs/dbraw/zinc/47/12/84/169471284.db2.gz ZNQODUXHYMFCDP-UHFFFAOYSA-N 1 0 176.263 2.114 50 0 AEAARO c1cc([C@@H]2CCCCC[NH2+]2)ccn1 2582650 169472032 /nfs/dbraw/zinc/47/20/32/169472032.db2.gz NBCTZCUNZUISCL-NSHDSACASA-N 1 0 176.263 2.286 50 0 in-vitro AEAARO c1cc2c3c(c1)CC[NH2+]C[C@H]3CCC2 27712432 169473389 /nfs/dbraw/zinc/47/33/89/169473389.db2.gz LLKLRSMCOMXZBR-GFCCVEGCSA-N 1 0 187.286 2.252 50 0 in-vitro AEAARO c1cc2c3c(c1)CC[NH2+]C[C@@H]3CCC2 27712437 169473405 /nfs/dbraw/zinc/47/34/05/169473405.db2.gz LLKLRSMCOMXZBR-LBPRGKRZSA-N 1 0 187.286 2.252 50 0 in-vitro AEAARO c1ccc(C[NH2+]CC2CC2)cc1 4992648 169475637 /nfs/dbraw/zinc/47/56/37/169475637.db2.gz QONMRPMQMVTSLW-UHFFFAOYSA-N 1 0 161.248 2.186 50 0 in-vitro AEAARO c1ccc(CS[C@H]2CC[NH2+]C2)cc1 51783939 169475708 /nfs/dbraw/zinc/47/57/08/169475708.db2.gz JDWVEMOZJDTHCU-NSHDSACASA-N 1 0 193.315 2.282 50 0 AEAARO c1ccc(C[C@H]2CCC[NH2+]C2)cc1 4202605 169475756 /nfs/dbraw/zinc/47/57/56/169475756.db2.gz BKDMXVREWXKZLB-GFCCVEGCSA-N 1 0 175.275 2.229 50 0 in-vitro AEAARO c1ccc(C[C@@H]2CCCCC[NH2+]2)nc1 3735158 169475798 /nfs/dbraw/zinc/47/57/98/169475798.db2.gz MMACVRBAKZRSSC-NSHDSACASA-N 1 0 190.290 2.156 50 0 in-vitro AEAARO c1ccc(N[C@@H]2CCC[NH2+]CC2)cc1 39261695 169476466 /nfs/dbraw/zinc/47/64/66/169476466.db2.gz SWBFERKHHLUJQP-GFCCVEGCSA-N 1 0 190.290 2.241 50 0 AEAARO c1ccc(OCC[C@H]2CC[NH2+]C2)cc1 42784166 169476536 /nfs/dbraw/zinc/47/65/36/169476536.db2.gz OAFWNGXFWQBXQK-LLVKDONJSA-N 1 0 191.274 2.065 50 0 AEAARO c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 14631151 169476685 /nfs/dbraw/zinc/47/66/85/169476685.db2.gz VLXUUHNIFYPKBG-LLVKDONJSA-N 1 0 191.274 2.065 50 0 in-vitro AEAARO c1ccc(NC2=[NH+]CCC2)cc1 7023361 169476810 /nfs/dbraw/zinc/47/68/10/169476810.db2.gz ZTRARGHXCLHSIQ-UHFFFAOYSA-N 1 0 160.220 2.291 50 0 AEAARO c1ccc(SC[C@H]2CC[NH2+]C2)cc1 51890813 169477171 /nfs/dbraw/zinc/47/71/71/169477171.db2.gz AYLPIJTVKMODTL-JTQLQIEISA-N 1 0 193.315 2.388 50 0 in-vitro AEAARO c1ccc([C@@H]2[NH2+]CCS2)cc1 52537769 169477725 /nfs/dbraw/zinc/47/77/25/169477725.db2.gz NXOMVTLTYYYYPC-SECBINFHSA-N 1 0 165.261 2.022 50 0 in-vitro AEAARO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC1 21959994 169479016 /nfs/dbraw/zinc/47/90/16/169479016.db2.gz MTEKEZBZHMHEHF-LBPRGKRZSA-N 1 0 173.259 2.426 50 0 in-vitro AEAARO c1ccc2c(c1)CN1CCCC1=[NH+]2 265524 169479149 /nfs/dbraw/zinc/47/91/49/169479149.db2.gz WUFQLZTXIWKION-UHFFFAOYSA-N 1 0 172.231 2.326 50 0 biogenic,in-vitro AEAARO c1ccc2c(c1)CCC[C@@]21CC[NH2+]C1 23508959 169479240 /nfs/dbraw/zinc/47/92/40/169479240.db2.gz QAQOIXBLPQERTB-ZDUSSCGKSA-N 1 0 187.286 2.254 50 0 AEAARO c1ccc2c(c1)sc1[n+]2CCS1 53150 169480331 /nfs/dbraw/zinc/48/03/31/169480331.db2.gz YGRRLQCTHQDJAW-UHFFFAOYSA-N 1 0 194.304 2.295 50 0 AEAARO c1ccc2c3c([nH]c2c1)C[NH2+]CCC3 71774108 169480484 /nfs/dbraw/zinc/48/04/84/169480484.db2.gz CEABXTJMPUKQCP-UHFFFAOYSA-N 1 0 186.258 2.204 50 0 AEAARO c1ccc2oc([C@H]3CCC[NH2+]3)nc2c1 4205331 169481387 /nfs/dbraw/zinc/48/13/87/169481387.db2.gz XKEVDZMTMKDMAT-SECBINFHSA-N 1 0 188.230 2.252 50 0 AEAARO c1csc([C@H]2CCC[NH2+]2)c1 2169308 169486262 /nfs/dbraw/zinc/48/62/62/169486262.db2.gz BNUVOMNEUJWHCF-SSDOTTSWSA-N 1 0 153.250 2.173 50 0 in-vitro AEAARO c1csc([C@H]2CSCC[NH2+]2)c1 41203272 169486443 /nfs/dbraw/zinc/48/64/43/169486443.db2.gz VLALEQCRKOSSHW-SSDOTTSWSA-N 1 0 185.317 2.126 50 0 in-vitro AEAARO c1csc([C@]23CC[C@H]2CC[NH2+]3)c1 334163807 169486911 /nfs/dbraw/zinc/48/69/11/169486911.db2.gz IBLLYMPPCVFDPO-WPRPVWTQSA-N 1 0 179.288 2.347 50 0 AEAARO c1csc(C[C@H]2CCC[NH2+]2)c1 11630843 169486995 /nfs/dbraw/zinc/48/69/95/169486995.db2.gz QESLZSQKJUJIJX-MRVPVSSYSA-N 1 0 167.277 2.043 50 0 AEAARO CC[n+]1csc2ccccc21 124091 170991488 /nfs/dbraw/zinc/99/14/88/170991488.db2.gz QGSALMLCNHOVOE-UHFFFAOYSA-N 1 0 164.253 2.209 50 0 in-vitro AEAARO Cc1ccc2[nH]c(C)c(CC[NH3+])c2c1 141643 170991731 /nfs/dbraw/zinc/99/17/31/170991731.db2.gz CMDMWYFWSISWBT-UHFFFAOYSA-N 1 0 188.274 2.286 50 0 in-vitro AEAARO c1cncc(C[NH+]2CCCCCC2)c1 238620 170993717 /nfs/dbraw/zinc/99/37/17/170993717.db2.gz MFQTUGIPPFHUAK-UHFFFAOYSA-N 1 0 190.290 2.458 50 0 AEAARO c1cc(CC[NH+]2CCCCC2)ccn1 393791 170994741 /nfs/dbraw/zinc/99/47/41/170994741.db2.gz ICBUOQBBEUSCAJ-UHFFFAOYSA-N 1 0 190.290 2.110 50 0 in-vitro AEAARO Fc1ccc(C2=CC[NH2+]CC2)cc1 394412 170994829 /nfs/dbraw/zinc/99/48/29/170994829.db2.gz MVXXCFMHLWEWHY-UHFFFAOYSA-N 1 0 177.222 2.202 50 0 in-vitro AEAARO C[n+]1ccc(-c2ccccc2)cc1 967769 170995875 /nfs/dbraw/zinc/99/58/75/170995875.db2.gz FMGYKKMPNATWHP-UHFFFAOYSA-N 1 0 170.235 2.178 50 0 in-vitro AEAARO c1ccc([C@@H]2C[NH+]3CCC2CC3)cc1 1245021 170996958 /nfs/dbraw/zinc/99/69/58/170996958.db2.gz RAOXQTRNOCTXKZ-ZDUSSCGKSA-N 1 0 187.286 2.496 50 0 AEAARO c1ccc(CC2CC[NH2+]CC2)cc1 1656366 170999740 /nfs/dbraw/zinc/99/97/40/170999740.db2.gz ABGXADJDTPFFSZ-UHFFFAOYSA-N 1 0 175.275 2.229 50 0 AEAARO c1ccc(CC[C@H]2CCCC[NH2+]2)nc1 1675460 171000531 /nfs/dbraw/zinc/00/05/31/171000531.db2.gz XVZJIQLZEGNILT-GFCCVEGCSA-N 1 0 190.290 2.156 50 0 AEAARO [NH3+]CC1C2CC3CC(C2)CC1C3 1733077 171002098 /nfs/dbraw/zinc/00/20/98/171002098.db2.gz UIIZRVWVFJSCHN-UHFFFAOYSA-N 1 0 165.280 2.017 50 0 in-vitro AEAARO CC1(C)[C@H]2CC[C@@H](C[NH3+])[C@@H]1C2 1762682 171002800 /nfs/dbraw/zinc/00/28/00/171002800.db2.gz SYJBFPCQIJQYNV-CIUDSAMLSA-N 1 0 153.269 2.017 50 0 AEAARO [NH3+]C12C[C@@H]3C[C@H](C1)CC(F)(C3)C2 1766023 171003047 /nfs/dbraw/zinc/00/30/47/171003047.db2.gz USUQQGKBGPIRRT-BQKDNTBBSA-N 1 0 169.243 2.006 50 0 in-vitro AEAARO CC(C)c1ccccc1OCC[NH3+] 2058309 171005059 /nfs/dbraw/zinc/00/50/59/171005059.db2.gz HGULZMCXEYYSSI-UHFFFAOYSA-N 1 0 179.263 2.148 50 0 in-vitro AEAARO CCCC[n+]1cccc(C)c1 2382608 171005240 /nfs/dbraw/zinc/00/52/40/171005240.db2.gz DADKKHHMGSWSPH-UHFFFAOYSA-N 1 0 150.245 2.083 50 0 in-vitro AEAARO c1ccc(CC[C@@H]2CC[NH2+]C2)cc1 2386727 171005334 /nfs/dbraw/zinc/00/53/34/171005334.db2.gz GLZRMVTXAKDQMC-GFCCVEGCSA-N 1 0 175.275 2.229 50 0 in-vitro AEAARO c1ccc(CC[C@@H]2CCC[NH2+]2)cc1 2382429 171005588 /nfs/dbraw/zinc/00/55/88/171005588.db2.gz COZIXZLDDAZRGK-LBPRGKRZSA-N 1 0 175.275 2.371 50 0 in-vitro AEAARO Fc1ccc(C2CC[NH2+]CC2)cc1 2382869 171005592 /nfs/dbraw/zinc/00/55/92/171005592.db2.gz AFYALJSDFPSAAZ-UHFFFAOYSA-N 1 0 179.238 2.293 50 0 in-vitro AEAARO CCCC[n+]1ccc(C)cc1 2384192 171005635 /nfs/dbraw/zinc/00/56/35/171005635.db2.gz NNLHWTTWXYBJBQ-UHFFFAOYSA-N 1 0 150.245 2.083 50 0 in-vitro AEAARO Fc1ccc(CC2CC[NH2+]CC2)cc1 2512916 171006019 /nfs/dbraw/zinc/00/60/19/171006019.db2.gz JLAKCHGEEBPDQI-UHFFFAOYSA-N 1 0 193.265 2.368 50 0 in-vivo AEAARO Cc1ccccc1OC1CC[NH2+]CC1 2513144 171006033 /nfs/dbraw/zinc/00/60/33/171006033.db2.gz MLLZZLRYRWFFRQ-UHFFFAOYSA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO c1csc(C[NH2+]C2CC2)c1 2518411 171006132 /nfs/dbraw/zinc/00/61/32/171006132.db2.gz CZJPDZTVBQYPHD-UHFFFAOYSA-N 1 0 153.250 2.000 50 0 in-vitro AEAARO Fc1ccc(C2CC[NH2+]CC2)c(F)c1 2512984 171006345 /nfs/dbraw/zinc/00/63/45/171006345.db2.gz KUYHSQRDRQUVOK-UHFFFAOYSA-N 1 0 197.228 2.432 50 0 in-vitro AEAARO c1ccc(C23CC[NH+](CC2)CC3)cc1 2569467 171007666 /nfs/dbraw/zinc/00/76/66/171007666.db2.gz CSKNWIPXDBBWRW-UHFFFAOYSA-N 1 0 187.286 2.424 50 0 AEAARO c1ccc([C@@H]2CCC[NH2+]C2)cc1 2570201 171007853 /nfs/dbraw/zinc/00/78/53/171007853.db2.gz NZYBILDYPCVNMU-LLVKDONJSA-N 1 0 161.248 2.154 50 0 in-vitro AEAARO COc1ccccc1[C@@H]1CCC[NH2+]C1 2577397 171007910 /nfs/dbraw/zinc/00/79/10/171007910.db2.gz AFHWNVZETLZAGN-SNVBAGLBSA-N 1 0 191.274 2.162 50 0 AEAARO c1ccc(C[NH+]2CCCC2)cc1 2581987 171007961 /nfs/dbraw/zinc/00/79/61/171007961.db2.gz CWEGCQIIDCZZED-UHFFFAOYSA-N 1 0 161.248 2.282 50 0 in-vitro AEAARO CCCCc1ccc(C[NH3+])cc1 2579272 171008043 /nfs/dbraw/zinc/00/80/43/171008043.db2.gz IBVGSPOHLFKLHM-UHFFFAOYSA-N 1 0 163.264 2.488 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]1CCC[NH2+]C1 2577383 171008098 /nfs/dbraw/zinc/00/80/98/171008098.db2.gz KQSRZADCJRPBDF-LLVKDONJSA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO Cc1ccccc1C[C@@H]1CCC[NH2+]1 2582583 171008131 /nfs/dbraw/zinc/00/81/31/171008131.db2.gz AEVCYCAGTSOXAE-LBPRGKRZSA-N 1 0 175.275 2.290 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]1CCC[NH2+]1 2582590 171008142 /nfs/dbraw/zinc/00/81/42/171008142.db2.gz RSXCTIINURQYGA-NSHDSACASA-N 1 0 161.248 2.420 50 0 in-vitro AEAARO c1cc(C2CC[NH2+]CC2)cs1 2577361 171008199 /nfs/dbraw/zinc/00/81/99/171008199.db2.gz KTOGEYCNOXECIU-UHFFFAOYSA-N 1 0 167.277 2.215 50 0 in-vitro AEAARO c1csc(C2CC[NH2+]CC2)c1 2577362 171008329 /nfs/dbraw/zinc/00/83/29/171008329.db2.gz SLQVNTKKWCOXKW-UHFFFAOYSA-N 1 0 167.277 2.215 50 0 AEAARO Cc1ccccc1C1CC[NH2+]CC1 2577356 171008345 /nfs/dbraw/zinc/00/83/45/171008345.db2.gz ICRCMOXGEJQDSX-UHFFFAOYSA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO CCCCc1ccc(C(N)=[NH2+])cc1 2599270 171008615 /nfs/dbraw/zinc/00/86/15/171008615.db2.gz QBXVSDIRVLEZRX-UHFFFAOYSA-N 1 0 176.263 2.313 50 0 in-vitro AEAARO Cc1ccccc1[C@@H](C)[NH3+] 3411323 171009300 /nfs/dbraw/zinc/00/93/00/171009300.db2.gz ZCDYTNZJBGSKFI-MRVPVSSYSA-N 1 0 135.210 2.015 50 0 in-vitro AEAARO Cc1ccccc1C[C@H]1CCC[NH2+]1 3732258 171009383 /nfs/dbraw/zinc/00/93/83/171009383.db2.gz AEVCYCAGTSOXAE-GFCCVEGCSA-N 1 0 175.275 2.290 50 0 in-vitro AEAARO Cc1ccccc1[C@H](C)[NH3+] 3411324 171009396 /nfs/dbraw/zinc/00/93/96/171009396.db2.gz ZCDYTNZJBGSKFI-QMMMGPOBSA-N 1 0 135.210 2.015 50 0 in-vitro AEAARO c1ccc(CC[C@H]2CCC[NH2+]2)cc1 3732341 171009596 /nfs/dbraw/zinc/00/95/96/171009596.db2.gz COZIXZLDDAZRGK-GFCCVEGCSA-N 1 0 175.275 2.371 50 0 in-vitro AEAARO Cc1ccccc1[C@H]1CCC[NH2+]1 3732269 171009776 /nfs/dbraw/zinc/00/97/76/171009776.db2.gz RSXCTIINURQYGA-LLVKDONJSA-N 1 0 161.248 2.420 50 0 in-vitro AEAARO [NH3+]CC12CC3CC(CC(C3)C1)C2 3861313 171010045 /nfs/dbraw/zinc/01/00/45/171010045.db2.gz XSOHXMFFSKTSIT-UHFFFAOYSA-N 1 0 165.280 2.162 50 0 in-vitro AEAARO Cc1ccnc(C[C@H]2CCCC[NH2+]2)c1 3734803 171010068 /nfs/dbraw/zinc/01/00/68/171010068.db2.gz DBKDDPQJNILUTP-LLVKDONJSA-N 1 0 190.290 2.075 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]([NH3+])C1CC1 3739115 171010229 /nfs/dbraw/zinc/01/02/29/171010229.db2.gz DIDFGEMIEMUSRJ-NSHDSACASA-N 1 0 161.248 2.405 50 0 in-vitro AEAARO Cc1ccccc1[C@H]([NH3+])C1CC1 3739114 171010289 /nfs/dbraw/zinc/01/02/89/171010289.db2.gz DIDFGEMIEMUSRJ-LLVKDONJSA-N 1 0 161.248 2.405 50 0 in-vitro AEAARO [NH3+]C1CCCCCCC1 3860310 171010326 /nfs/dbraw/zinc/01/03/26/171010326.db2.gz HSOHBWMXECKEKV-UHFFFAOYSA-N 1 0 127.231 2.058 50 0 AEAARO N#[N+]c1ccccc1 3876128 171010384 /nfs/dbraw/zinc/01/03/84/171010384.db2.gz CIZVQWNPBGYCGK-UHFFFAOYSA-N 1 0 105.120 2.171 50 0 in-vitro AEAARO Cc1ccnc(C[C@@H]2CCCC[NH2+]2)c1 3734804 171010524 /nfs/dbraw/zinc/01/05/24/171010524.db2.gz DBKDDPQJNILUTP-NSHDSACASA-N 1 0 190.290 2.075 50 0 in-vitro AEAARO Cc1ccc2[nH]c3c(c2c1)C[NH2+]CC3 4201294 171010771 /nfs/dbraw/zinc/01/07/71/171010771.db2.gz ZZNXMXVBVZSXEL-UHFFFAOYSA-N 1 0 186.258 2.122 50 0 in-vitro AEAARO C[C@H]1CC2(CCC[NH2+]2)C[C@H]1C 4200223 171011080 /nfs/dbraw/zinc/01/10/80/171011080.db2.gz JQXLMQXLNVVUDS-ULKQDVFKSA-N 1 0 153.269 2.175 50 0 AEAARO Clc1ccc(C2=[NH+]CCCN2)cc1 4014178 171011131 /nfs/dbraw/zinc/01/11/31/171011131.db2.gz UDAWIYYUVCHVMK-UHFFFAOYSA-N 1 0 194.665 2.080 50 0 AEAARO C[C@@H]1CC2(CCC[NH2+]2)C[C@H]1C 4124810 171011259 /nfs/dbraw/zinc/01/12/59/171011259.db2.gz JQXLMQXLNVVUDS-RKDXNWHRSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@H]1CC2(CCC[NH2+]2)C[C@@H]1C 4200224 171011300 /nfs/dbraw/zinc/01/13/00/171011300.db2.gz JQXLMQXLNVVUDS-IUCAKERBSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO CN(C)C(=[NH2+])c1ccc(Cl)cc1 4014387 171011376 /nfs/dbraw/zinc/01/13/76/171011376.db2.gz LIPBGDOQGGYIKB-UHFFFAOYSA-N 1 0 182.654 2.227 50 0 AEAARO C[NH+]1CCC(c2ccccc2)CC1 4114516 171011426 /nfs/dbraw/zinc/01/14/26/171011426.db2.gz ZETXHVRPKUXQIT-UHFFFAOYSA-N 1 0 175.275 2.496 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]([NH3+])c1ccncc1 4536702 171012837 /nfs/dbraw/zinc/01/28/37/171012837.db2.gz ODUGKKIZGXGYDM-ZDUSSCGKSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO Cc1ccccc1[C@H]([NH3+])c1ccncc1 4536700 171013305 /nfs/dbraw/zinc/01/33/05/171013305.db2.gz ODUGKKIZGXGYDM-CYBMUJFWSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO CC1(C)CO[C@@H](c2ccccc2)C[NH2+]1 4748479 171014071 /nfs/dbraw/zinc/01/40/71/171014071.db2.gz KJUOROGOOZJYAI-LLVKDONJSA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO CC[n+]1cccc2cc(C)ccc21 4556303 171014100 /nfs/dbraw/zinc/01/41/00/171014100.db2.gz WWLSTUHZJJDJJY-UHFFFAOYSA-N 1 0 172.251 2.456 50 0 AEAARO N#[N+]c1ccc(F)cc1 4791921 171014174 /nfs/dbraw/zinc/01/41/74/171014174.db2.gz NPDITFPCIZIEMJ-UHFFFAOYSA-N 1 0 123.110 2.310 50 0 in-vitro AEAARO c1ccc(C[NH+]2CCSCC2)cc1 4977451 171014562 /nfs/dbraw/zinc/01/45/62/171014562.db2.gz OYLTYHXSZIVBOZ-UHFFFAOYSA-N 1 0 193.315 2.235 50 0 AEAARO [NH3+]CC1CCCCCCC1 4829246 171014943 /nfs/dbraw/zinc/01/49/43/171014943.db2.gz GQOIKWAYFXTZOK-UHFFFAOYSA-N 1 0 141.258 2.306 50 0 in-vitro AEAARO [NH3+]CC=C1C2CC3CC(C2)CC1C3 5133291 171015294 /nfs/dbraw/zinc/01/52/94/171015294.db2.gz ZBAAIPQSHIKBQA-UHFFFAOYSA-N 1 0 177.291 2.328 50 0 AEAARO C[NH+]1CCC(Nc2ccccc2)CC1 5318437 171016718 /nfs/dbraw/zinc/01/67/18/171016718.db2.gz GXJSWUKLJQHQFZ-UHFFFAOYSA-N 1 0 190.290 2.193 50 0 in-vitro AEAARO CCSC1=[NH+]C(C)(C)C=C(C)N1 5673637 171017401 /nfs/dbraw/zinc/01/74/01/171017401.db2.gz INHURYIWPBGENB-UHFFFAOYSA-N 1 0 184.308 2.381 50 0 AEAARO COc1ccccc1C[NH2+]CC(C)C 5817300 171018096 /nfs/dbraw/zinc/01/80/96/171018096.db2.gz ISFFDNRXIWXMSM-UHFFFAOYSA-N 1 0 193.290 2.441 50 0 in-vitro AEAARO Cc1ccccc1CC(C)(C)[NH3+] 6071871 171019232 /nfs/dbraw/zinc/01/92/32/171019232.db2.gz HIPCYWMUINHLFM-UHFFFAOYSA-N 1 0 163.264 2.275 50 0 in-vitro AEAARO [NH3+]C1(c2ccccc2)CCC1 6095974 171019838 /nfs/dbraw/zinc/01/98/38/171019838.db2.gz OZJAIRCFCMQFIF-UHFFFAOYSA-N 1 0 147.221 2.025 50 0 in-vitro AEAARO [NH3+]C1(c2ccccc2)CCCC1 6095975 171019890 /nfs/dbraw/zinc/01/98/90/171019890.db2.gz YXAQCAOJLDGGDZ-UHFFFAOYSA-N 1 0 161.248 2.415 50 0 in-vitro AEAARO Cc1ccccc1NC[C@@H]1CCC[NH2+]1 6658187 171020353 /nfs/dbraw/zinc/02/03/53/171020353.db2.gz FNFCTCMHSWWLKU-NSHDSACASA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1ccccc1NC[C@H]1CCC[NH2+]1 6658188 171020571 /nfs/dbraw/zinc/02/05/71/171020571.db2.gz FNFCTCMHSWWLKU-LLVKDONJSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1ccccc1CSC(N)=[NH2+] 7715639 171021035 /nfs/dbraw/zinc/02/10/35/171021035.db2.gz XPXPLKSOBVVRGX-UHFFFAOYSA-N 1 0 180.276 2.122 50 0 in-vitro AEAARO c1cc(C[NH2+]C2CC2)cs1 7525060 171021610 /nfs/dbraw/zinc/02/16/10/171021610.db2.gz ZRAZEIFZGQCHCF-UHFFFAOYSA-N 1 0 153.250 2.000 50 0 in-vitro AEAARO [NH3+]Cc1ccc2c(c1)CCCC2 9245902 171022074 /nfs/dbraw/zinc/02/20/74/171022074.db2.gz SGCPAUPWLDLCBN-UHFFFAOYSA-N 1 0 161.248 2.024 50 0 in-vitro AEAARO COc1ccccc1C[NH2+]C(C)C 8728584 171022431 /nfs/dbraw/zinc/02/24/31/171022431.db2.gz CWHRRDWIVPFDOQ-UHFFFAOYSA-N 1 0 179.263 2.193 50 0 in-vitro AEAARO [NH3+]CC1(c2cccc(Cl)c2)CC1 9280435 171023185 /nfs/dbraw/zinc/02/31/85/171023185.db2.gz PCAQCRJAVGXMQF-UHFFFAOYSA-N 1 0 181.666 2.330 50 0 in-vitro AEAARO [NH3+]CC1(c2ccccc2)CCC1 9596205 171023189 /nfs/dbraw/zinc/02/31/89/171023189.db2.gz AUOZFCSMXYBIQW-UHFFFAOYSA-N 1 0 161.248 2.067 50 0 in-vitro AEAARO Cc1ccccc1CCCC[NH3+] 11596923 171023720 /nfs/dbraw/zinc/02/37/20/171023720.db2.gz ANOVIJWMJIDTKL-UHFFFAOYSA-N 1 0 163.264 2.276 50 0 AEAARO COc1ccccc1C1([NH3+])CCC1 11833934 171023901 /nfs/dbraw/zinc/02/39/01/171023901.db2.gz MTKYHNPVVIXYDW-UHFFFAOYSA-N 1 0 177.247 2.033 50 0 in-vitro AEAARO COc1ccccc1C1(C[NH3+])CCC1 11848928 171024053 /nfs/dbraw/zinc/02/40/53/171024053.db2.gz QYBDUMVPPQVMRK-UHFFFAOYSA-N 1 0 191.274 2.076 50 0 in-vitro AEAARO c1csc(CC2CC[NH2+]CC2)c1 11630917 171024090 /nfs/dbraw/zinc/02/40/90/171024090.db2.gz ZBQAKDZVFFVRQI-UHFFFAOYSA-N 1 0 181.304 2.290 50 0 AEAARO [NH3+]C1(c2ccc(F)cc2)CCC1 11885825 171024386 /nfs/dbraw/zinc/02/43/86/171024386.db2.gz PAPAYUQUJVLXAF-UHFFFAOYSA-N 1 0 165.211 2.164 50 0 AEAARO [NH3+]C12CCC3C[C@@H](C[C@@H](C3)C1)C2 12343464 171024490 /nfs/dbraw/zinc/02/44/90/171024490.db2.gz YIMVAVCBOZTFKH-GGWWSXTCSA-N 1 0 165.280 2.304 50 0 AEAARO [NH3+]CC1(c2ccc(F)cc2)CCC1 11885473 171024550 /nfs/dbraw/zinc/02/45/50/171024550.db2.gz YTFIUHZHMLAERQ-UHFFFAOYSA-N 1 0 179.238 2.206 50 0 in-vitro AEAARO [NH3+]C1(c2ccc(Cl)cc2)CC1 11883990 171024638 /nfs/dbraw/zinc/02/46/38/171024638.db2.gz MUJWLBCYTZYEQA-UHFFFAOYSA-N 1 0 167.639 2.288 50 0 in-vitro AEAARO [NH3+]C1(c2cccc(Cl)c2)CC1 11884395 171024667 /nfs/dbraw/zinc/02/46/67/171024667.db2.gz HPZLWZKZPAZLIO-UHFFFAOYSA-N 1 0 167.639 2.288 50 0 in-vitro AEAARO CC[n+]1c(C)ccc2ccccc21 12340514 171024699 /nfs/dbraw/zinc/02/46/99/171024699.db2.gz SLBWCOTYERYRPL-UHFFFAOYSA-N 1 0 172.251 2.456 50 0 AEAARO [NH3+]CC1(c2ccccc2F)CCC1 11885911 171024840 /nfs/dbraw/zinc/02/48/40/171024840.db2.gz KVTXPSFPFBHYSH-UHFFFAOYSA-N 1 0 179.238 2.206 50 0 in-vitro AEAARO [NH3+]C1(c2ccccc2F)CCC1 11886219 171025045 /nfs/dbraw/zinc/02/50/45/171025045.db2.gz AXNNZTURGGNMJF-UHFFFAOYSA-N 1 0 165.211 2.164 50 0 AEAARO [NH3+]C1(c2ccccc2Cl)CC1 12375409 171025296 /nfs/dbraw/zinc/02/52/96/171025296.db2.gz YBGXYERMKZBANM-UHFFFAOYSA-N 1 0 167.639 2.288 50 0 in-vitro AEAARO [NH3+]C1(Cc2ccc(Cl)cc2)CC1 12429188 171025441 /nfs/dbraw/zinc/02/54/41/171025441.db2.gz NJUZFTLDBLQHCG-UHFFFAOYSA-N 1 0 181.666 2.374 50 0 in-vitro AEAARO C[NH+]1CCC(c2ccc(O)cc2)CC1 12416736 171025539 /nfs/dbraw/zinc/02/55/39/171025539.db2.gz QPKINSYKYPQLOI-UHFFFAOYSA-N 1 0 191.274 2.201 50 0 AEAARO O=Cc1ccc(C[NH+]2CCCC2)cc1 12370521 171025562 /nfs/dbraw/zinc/02/55/62/171025562.db2.gz MTBYCACQSYAYCC-UHFFFAOYSA-N 1 0 189.258 2.095 50 0 AEAARO Cc1ccccc1O[C@H]1CCC[NH2+]C1 12359891 171025578 /nfs/dbraw/zinc/02/55/78/171025578.db2.gz YJSMDJHWELLBBO-NSHDSACASA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO O=Cc1cccc(C[NH+]2CCCC2)c1 12370525 171025704 /nfs/dbraw/zinc/02/57/04/171025704.db2.gz XHHOLQHPKIDQEM-UHFFFAOYSA-N 1 0 189.258 2.095 50 0 in-vitro AEAARO CC[n+]1ccc(C)c2ccccc21 12407760 171025725 /nfs/dbraw/zinc/02/57/25/171025725.db2.gz LCNWZISUNVZUOV-UHFFFAOYSA-N 1 0 172.251 2.456 50 0 AEAARO Cc1ccccc1O[C@@H]1CCC[NH2+]C1 12359890 171025829 /nfs/dbraw/zinc/02/58/29/171025829.db2.gz YJSMDJHWELLBBO-LLVKDONJSA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO CCSC(=[NH2+])Nc1ccc(O)cc1 13762673 171028133 /nfs/dbraw/zinc/02/81/33/171028133.db2.gz IKMURRHSVREPAW-UHFFFAOYSA-N 1 0 196.275 2.492 50 0 AEAARO c1ccc(CC[C@H]2CC[NH2+]C2)cc1 15020641 171028728 /nfs/dbraw/zinc/02/87/28/171028728.db2.gz GLZRMVTXAKDQMC-LBPRGKRZSA-N 1 0 175.275 2.229 50 0 in-vitro AEAARO [NH3+]CC1CCC(C(F)(F)F)CC1 15442360 171029411 /nfs/dbraw/zinc/02/94/11/171029411.db2.gz XAKIXQQQAQHCMN-UHFFFAOYSA-N 1 0 181.201 2.314 50 0 in-vitro AEAARO c1cc(C[NH2+]C2CC2)c2cc[nH]c2c1 15423494 171029414 /nfs/dbraw/zinc/02/94/14/171029414.db2.gz NYVABPMIBFPJOU-UHFFFAOYSA-N 1 0 186.258 2.420 50 0 in-vitro AEAARO COc1ccccc1CC1([NH3+])CCC1 16719178 171030185 /nfs/dbraw/zinc/03/01/85/171030185.db2.gz XVKMJYVWYYNXEJ-UHFFFAOYSA-N 1 0 191.274 2.119 50 0 AEAARO [NH3+]C1(Cc2ccccc2Cl)CC1 16771328 171030307 /nfs/dbraw/zinc/03/03/07/171030307.db2.gz BUVVLDWPDIYTTK-UHFFFAOYSA-N 1 0 181.666 2.374 50 0 AEAARO [NH3+]C1(Cc2cccc(Cl)c2)CC1 16755387 171030520 /nfs/dbraw/zinc/03/05/20/171030520.db2.gz ZITVXSWBAGXPBK-UHFFFAOYSA-N 1 0 181.666 2.374 50 0 AEAARO Cc1ccccc1CC1([NH3+])CC1 16745952 171030593 /nfs/dbraw/zinc/03/05/93/171030593.db2.gz LXAZOYCJEVVBHV-UHFFFAOYSA-N 1 0 161.248 2.029 50 0 AEAARO [NH3+]C1(Cc2ccc(F)cc2)CCC1 16764306 171030616 /nfs/dbraw/zinc/03/06/16/171030616.db2.gz DKEJDHXCQOULBI-UHFFFAOYSA-N 1 0 179.238 2.250 50 0 AEAARO Cc1ccccc1C[NH2+]C1CC1 16362682 171030641 /nfs/dbraw/zinc/03/06/41/171030641.db2.gz WYQUCNZBUBLJHN-UHFFFAOYSA-N 1 0 161.248 2.247 50 0 in-vitro AEAARO [NH3+]C1(Cc2ccccc2F)CCC1 16771334 171031470 /nfs/dbraw/zinc/03/14/70/171031470.db2.gz UGAORXKGTFUECB-UHFFFAOYSA-N 1 0 179.238 2.250 50 0 AEAARO [NH3+]C1(Cc2ccccc2)CCC1 16771581 171031496 /nfs/dbraw/zinc/03/14/96/171031496.db2.gz VDTOJIIWQIMYNV-UHFFFAOYSA-N 1 0 161.248 2.111 50 0 AEAARO CC(C)(C)[C@@H]([NH3+])CC(F)(F)F 17403319 171031911 /nfs/dbraw/zinc/03/19/11/171031911.db2.gz RFKMORYSKRWMRW-YFKPBYRVSA-N 1 0 169.190 2.312 50 0 in-vitro AEAARO CCC[NH2+][C@@H](C)C(C)C 19091303 171033514 /nfs/dbraw/zinc/03/35/14/171033514.db2.gz FUUDGATULFIMIN-QMMMGPOBSA-N 1 0 129.247 2.031 50 0 in-vitro AEAARO CC1(C)[C@H]2CC=C(CC[NH3+])[C@@H]1C2 19088337 171033654 /nfs/dbraw/zinc/03/36/54/171033654.db2.gz SIZTVXYVPBPGJR-UWVGGRQHSA-N 1 0 165.280 2.328 50 0 AEAARO Cc1ccccc1[C@H]1CCC[NH2+]C1 19088643 171033681 /nfs/dbraw/zinc/03/36/81/171033681.db2.gz KQSRZADCJRPBDF-NSHDSACASA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO Cc1ccccc1CSCC[NH3+] 19485523 171034278 /nfs/dbraw/zinc/03/42/78/171034278.db2.gz RXUHXIBQQMQLFC-UHFFFAOYSA-N 1 0 181.304 2.187 50 0 in-vitro AEAARO NCC1([NH+]2CCCCC2)CCCCC1 19365717 171034558 /nfs/dbraw/zinc/03/45/58/171034558.db2.gz OHGRMGNDTSKKJV-UHFFFAOYSA-N 1 0 196.338 2.134 50 0 in-vitro AEAARO Cc1ccccc1C(C)(C)[NH3+] 19682468 171034920 /nfs/dbraw/zinc/03/49/20/171034920.db2.gz SVHFBAAZRDCASE-UHFFFAOYSA-N 1 0 149.237 2.189 50 0 in-vitro AEAARO c1csc(C[NH+]2CCSCC2)c1 19536549 171035162 /nfs/dbraw/zinc/03/51/62/171035162.db2.gz ICBANYDRDPPZDR-UHFFFAOYSA-N 1 0 199.344 2.297 50 0 AEAARO COc1ccccc1C1=CC[NH2+]CC1 19811336 171035659 /nfs/dbraw/zinc/03/56/59/171035659.db2.gz BYHRWYVRKPRAPH-UHFFFAOYSA-N 1 0 189.258 2.072 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]1CC[NH2+]C1 19785197 171035984 /nfs/dbraw/zinc/03/59/84/171035984.db2.gz XPZIJQMOVSHKOL-SNVBAGLBSA-N 1 0 161.248 2.072 50 0 in-vitro AEAARO CCN(CC)[C@@H](C[NH3+])c1cccs1 19795687 171036131 /nfs/dbraw/zinc/03/61/31/171036131.db2.gz BXFPJJOOGWGYJZ-VIFPVBQESA-N 1 0 198.335 2.090 50 0 AEAARO Cc1ccccc1C1=CC[NH2+]CC1 19811424 171036235 /nfs/dbraw/zinc/03/62/35/171036235.db2.gz FXAXMQLMMSURHQ-UHFFFAOYSA-N 1 0 173.259 2.372 50 0 in-vitro AEAARO COc1ccccc1C[NH2+]CC1CC1 19884623 171036481 /nfs/dbraw/zinc/03/64/81/171036481.db2.gz VYPAENXHTPNGHO-UHFFFAOYSA-N 1 0 191.274 2.195 50 0 AEAARO Oc1cccc(C[NH2+]C2CCCC2)c1 19883630 171036698 /nfs/dbraw/zinc/03/66/98/171036698.db2.gz DPPADEWVFLHDBN-UHFFFAOYSA-N 1 0 191.274 2.424 50 0 AEAARO c1ccc(CC[NH2+]CC2CC2)cc1 19884695 171036895 /nfs/dbraw/zinc/03/68/95/171036895.db2.gz PJBAOQPVKJPENU-UHFFFAOYSA-N 1 0 175.275 2.229 50 0 AEAARO Oc1ccc(C[NH2+]C2CCCC2)cc1 19883322 171036944 /nfs/dbraw/zinc/03/69/44/171036944.db2.gz CKVFFZPVCCWEHW-UHFFFAOYSA-N 1 0 191.274 2.424 50 0 AEAARO c1cncc(CNc2cc[nH+]cc2)c1 19996967 171037314 /nfs/dbraw/zinc/03/73/14/171037314.db2.gz VPXKMWXEJMXJII-UHFFFAOYSA-N 1 0 185.230 2.089 50 0 in-vitro AEAARO c1cnc2ccc(C[NH2+]C3CC3)cc2c1 20248019 171038052 /nfs/dbraw/zinc/03/80/52/171038052.db2.gz DMWCRMBLQGFVBJ-UHFFFAOYSA-N 1 0 198.269 2.487 50 0 AEAARO c1ccc(CC[C@@H]2CCCC[NH2+]2)nc1 20417671 171039239 /nfs/dbraw/zinc/03/92/39/171039239.db2.gz XVZJIQLZEGNILT-LBPRGKRZSA-N 1 0 190.290 2.156 50 0 AEAARO [NH3+]CC1(c2cccc(F)c2)CCC1 20429517 171039482 /nfs/dbraw/zinc/03/94/82/171039482.db2.gz QVKLJTPSPVHTRP-UHFFFAOYSA-N 1 0 179.238 2.206 50 0 in-vitro AEAARO c1csc(C[NH2+]C2CCOCC2)c1 20479861 171039549 /nfs/dbraw/zinc/03/95/49/171039549.db2.gz RKXJLVBXFYIAEB-UHFFFAOYSA-N 1 0 197.303 2.017 50 0 AEAARO CCN(CC)[C@@H](C[NH3+])c1ccsc1 22173550 171042189 /nfs/dbraw/zinc/04/21/89/171042189.db2.gz LMACEHBBGMXZMU-JTQLQIEISA-N 1 0 198.335 2.090 50 0 AEAARO O=Cc1ccccc1C[NH+]1CCCC1 22862383 171042754 /nfs/dbraw/zinc/04/27/54/171042754.db2.gz VGBAYVFYNVGALQ-UHFFFAOYSA-N 1 0 189.258 2.095 50 0 in-vitro AEAARO Cc1ccc2[nH]c3c(c2c1)CC[NH2+]C3 22863548 171043110 /nfs/dbraw/zinc/04/31/10/171043110.db2.gz LYHQPJGFWRVZED-UHFFFAOYSA-N 1 0 186.258 2.122 50 0 AEAARO [NH3+]CC1(c2ccccn2)CCCCC1 25336390 171044437 /nfs/dbraw/zinc/04/44/37/171044437.db2.gz XGYWBGLMCUFVOB-UHFFFAOYSA-N 1 0 190.290 2.242 50 0 AEAARO Brc1ccc2c(c1)C[NH2+]C2 26894154 171046162 /nfs/dbraw/zinc/04/61/62/171046162.db2.gz KJCXRORGYAHAAH-UHFFFAOYSA-N 1 0 198.063 2.052 50 0 in-vitro AEAARO Clc1ccc(C2=CC[NH2+]CC2)cn1 27646752 171046327 /nfs/dbraw/zinc/04/63/27/171046327.db2.gz HAYFKIUROKUGCU-UHFFFAOYSA-N 1 0 194.665 2.112 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]1C[NH2+][C@@H](C)CO1 32008385 171049258 /nfs/dbraw/zinc/04/92/58/171049258.db2.gz OLLIJLILAIMCRH-JQWIXIFHSA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]1C[NH2+][C@H](C)CO1 32008384 171049586 /nfs/dbraw/zinc/04/95/86/171049586.db2.gz OLLIJLILAIMCRH-PWSUYJOCSA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO [NH3+]CC/C=C/c1ccccc1 32005599 171049781 /nfs/dbraw/zinc/04/97/81/171049781.db2.gz CBYAPCMTYUIARL-XBXARRHUSA-N 1 0 147.221 2.049 50 0 in-vitro AEAARO C[NH+]1CCC(c2cccc(N)c2)CC1 33487476 171051188 /nfs/dbraw/zinc/05/11/88/171051188.db2.gz BZPUKNPOZJNJLZ-UHFFFAOYSA-N 1 0 190.290 2.078 50 0 AEAARO C[NH+](C)CCOc1ccc(Cl)cc1 33809171 171051310 /nfs/dbraw/zinc/05/13/10/171051310.db2.gz KKPXBCIAUAJAHE-UHFFFAOYSA-N 1 0 199.681 2.280 50 0 AEAARO C[NH+]1CCC(c2cccc(O)c2)CC1 33645874 171051362 /nfs/dbraw/zinc/05/13/62/171051362.db2.gz XFWOEVLEDXAIDT-UHFFFAOYSA-N 1 0 191.274 2.201 50 0 AEAARO c1ccc(CC[C@H]2[NH2+]CCS2)cc1 33825010 171051392 /nfs/dbraw/zinc/05/13/92/171051392.db2.gz GDAXTEJEEKLPPO-NSHDSACASA-N 1 0 193.315 2.282 50 0 AEAARO c1ccc(CC[C@@H]2[NH2+]CCS2)cc1 33825008 171051685 /nfs/dbraw/zinc/05/16/85/171051685.db2.gz GDAXTEJEEKLPPO-LLVKDONJSA-N 1 0 193.315 2.282 50 0 AEAARO C[NH+]1CCC(c2ccc(N)cc2)CC1 33487477 171051696 /nfs/dbraw/zinc/05/16/96/171051696.db2.gz BNYVBWBKNDWCQW-UHFFFAOYSA-N 1 0 190.290 2.078 50 0 in-vitro AEAARO Cc1ccccc1C(C)(C)C[NH3+] 33487046 171051749 /nfs/dbraw/zinc/05/17/49/171051749.db2.gz LNCFGBYPMIKFIR-UHFFFAOYSA-N 1 0 163.264 2.231 50 0 in-vitro AEAARO C[NH+](C)CCOc1ccccc1Cl 33809170 171051754 /nfs/dbraw/zinc/05/17/54/171051754.db2.gz DVIRPJGGEYODOZ-UHFFFAOYSA-N 1 0 199.681 2.280 50 0 AEAARO CC(C)c1ccccc1C[NH3+] 34440631 171055292 /nfs/dbraw/zinc/05/52/92/171055292.db2.gz QYZULPRZADBSHN-UHFFFAOYSA-N 1 0 149.237 2.269 50 0 in-vitro AEAARO CC(C)(C)Sc1cc(C[NH3+])ccn1 35719971 171059004 /nfs/dbraw/zinc/05/90/04/171059004.db2.gz BJIGFWPLNXTUQG-UHFFFAOYSA-N 1 0 196.319 2.431 50 0 in-vitro AEAARO Nc1ccc(F)cc1C[NH+]1CCCC1 35308360 171059249 /nfs/dbraw/zinc/05/92/49/171059249.db2.gz OTKNIWUFVLBRDV-UHFFFAOYSA-N 1 0 194.253 2.004 50 0 AEAARO Oc1ccc(C[NH+]2CCCCC2)cc1 35975814 171060076 /nfs/dbraw/zinc/06/00/76/171060076.db2.gz BPCKWVMOXOYTQI-UHFFFAOYSA-N 1 0 191.274 2.378 50 0 AEAARO [NH3+]Cc1ccc2cc(O)ccc2c1 36455945 171061297 /nfs/dbraw/zinc/06/12/97/171061297.db2.gz SNMYVOUKVPUKIJ-UHFFFAOYSA-N 1 0 173.215 2.004 50 0 AEAARO [NH3+]C1(c2cccc(F)c2)CCC1 36906441 171061984 /nfs/dbraw/zinc/06/19/84/171061984.db2.gz QSYUGDFRPMSYOD-UHFFFAOYSA-N 1 0 165.211 2.164 50 0 in-vitro AEAARO c1csc(CC[NH2+]C2CC2)c1 36947972 171062181 /nfs/dbraw/zinc/06/21/81/171062181.db2.gz NXUHRMPTEYCZCD-UHFFFAOYSA-N 1 0 167.277 2.043 50 0 AEAARO Fc1ccc(CC[NH2+]C2CC2)cc1 36947971 171062455 /nfs/dbraw/zinc/06/24/55/171062455.db2.gz NJDGRXSBVMPMQX-UHFFFAOYSA-N 1 0 179.238 2.120 50 0 in-vitro AEAARO Cc1ccccc1[C@@H](C)C[NH3+] 37245701 171063305 /nfs/dbraw/zinc/06/33/05/171063305.db2.gz QVOBWGRFQSLGEN-VIFPVBQESA-N 1 0 149.237 2.057 50 0 AEAARO Cc1ccccc1[C@H](C)C[NH3+] 37245704 171063320 /nfs/dbraw/zinc/06/33/20/171063320.db2.gz QVOBWGRFQSLGEN-SECBINFHSA-N 1 0 149.237 2.057 50 0 AEAARO CCOC(=[NH2+])CC(C)C 37928005 171066636 /nfs/dbraw/zinc/06/66/36/171066636.db2.gz QDXFCTKMSDJGHH-UHFFFAOYSA-N 1 0 129.203 2.046 50 0 AEAARO Cc1ccccc1NC1CC[NH2+]CC1 38040610 171067797 /nfs/dbraw/zinc/06/77/97/171067797.db2.gz LADSWAXVIITUMG-UHFFFAOYSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO COc1ccccc1C[C@@H]([NH3+])C(C)C 38129563 171068335 /nfs/dbraw/zinc/06/83/35/171068335.db2.gz YCSNFYGHNPNIFT-LLVKDONJSA-N 1 0 193.290 2.221 50 0 in-vitro AEAARO CC(C)(C)SC[C@@H]1CCC[NH2+]1 38234358 171068600 /nfs/dbraw/zinc/06/86/00/171068600.db2.gz ZIMROLOYKGNBBD-QMMMGPOBSA-N 1 0 173.325 2.270 50 0 AEAARO COc1ccccc1C[C@H]([NH3+])C(C)C 38129564 171068886 /nfs/dbraw/zinc/06/88/86/171068886.db2.gz YCSNFYGHNPNIFT-NSHDSACASA-N 1 0 193.290 2.221 50 0 in-vitro AEAARO CC1(C)[C@H](c2ccccc2)[C@H]1[NH3+] 39135688 171076713 /nfs/dbraw/zinc/07/67/13/171076713.db2.gz NFISWOCMUKKIGN-NXEZZACHSA-N 1 0 161.248 2.137 50 0 AEAARO c1csc(C[NH+]2CCCC2)c1 39286391 171078341 /nfs/dbraw/zinc/07/83/41/171078341.db2.gz WNJQTXGJPVTGHK-UHFFFAOYSA-N 1 0 167.277 2.344 50 0 in-vitro AEAARO Cc1ccccc1C[C@H]1CC[NH2+]C1 40442970 171080346 /nfs/dbraw/zinc/08/03/46/171080346.db2.gz JJELETAWVRDDPP-LLVKDONJSA-N 1 0 175.275 2.147 50 0 in-vitro AEAARO [NH3+]CC1(c2c(F)cccc2F)CCC1 40447857 171080431 /nfs/dbraw/zinc/08/04/31/171080431.db2.gz NRRUEPBXSVGHKQ-UHFFFAOYSA-N 1 0 197.228 2.345 50 0 AEAARO Cc1ccccc1C[C@@H]1CC[NH2+]C1 40442969 171080750 /nfs/dbraw/zinc/08/07/50/171080750.db2.gz JJELETAWVRDDPP-NSHDSACASA-N 1 0 175.275 2.147 50 0 in-vitro AEAARO CC(C)c1ccccc1OC1C[NH2+]C1 42769885 171086504 /nfs/dbraw/zinc/08/65/04/171086504.db2.gz ZVPUBUXWAWHDNU-UHFFFAOYSA-N 1 0 191.274 2.161 50 0 AEAARO CC(C)c1cccc(OC2C[NH2+]C2)c1 42769933 171086971 /nfs/dbraw/zinc/08/69/71/171086971.db2.gz MCDJBUDADKOVGP-UHFFFAOYSA-N 1 0 191.274 2.161 50 0 AEAARO CC(C)(C)SC[C@H]1CCC[NH2+]1 43497262 171088273 /nfs/dbraw/zinc/08/82/73/171088273.db2.gz ZIMROLOYKGNBBD-MRVPVSSYSA-N 1 0 173.325 2.270 50 0 AEAARO [NH3+]CC1CCC2(CCC2)CC1 44137503 171088951 /nfs/dbraw/zinc/08/89/51/171088951.db2.gz OPYDFKJFDKKDIO-UHFFFAOYSA-N 1 0 153.269 2.306 50 0 in-vitro AEAARO [NH3+]C1(c2cc(F)cc(F)c2)CCC1 49350973 171094327 /nfs/dbraw/zinc/09/43/27/171094327.db2.gz XNWWYYGSEBGGLW-UHFFFAOYSA-N 1 0 183.201 2.303 50 0 AEAARO c1ccc([C@@H]2CCCCC[NH2+]2)nc1 51267659 171096992 /nfs/dbraw/zinc/09/69/92/171096992.db2.gz UHHGQPLKNWNWOW-JTQLQIEISA-N 1 0 176.263 2.286 50 0 in-vitro AEAARO [NH3+]C1(c2cc(F)c(F)c(F)c2)CC1 54404913 171099318 /nfs/dbraw/zinc/09/93/18/171099318.db2.gz YNHGOBFJUAOYME-UHFFFAOYSA-N 1 0 187.164 2.052 50 0 AEAARO [NH3+]CC1(Sc2ccccc2)CC1 62151967 171102495 /nfs/dbraw/zinc/10/24/95/171102495.db2.gz XVHVQEQFDFBYTE-UHFFFAOYSA-N 1 0 179.288 2.270 50 0 in-vitro AEAARO [NH3+]C1(c2ccc(F)c(Cl)c2)CC1 62793446 171103721 /nfs/dbraw/zinc/10/37/21/171103721.db2.gz DLPSXTWWWRHQEI-UHFFFAOYSA-N 1 0 185.629 2.427 50 0 AEAARO [NH3+]C1(c2cc3ccccc3o2)CC1 62798072 171103916 /nfs/dbraw/zinc/10/39/16/171103916.db2.gz NIFUGNDCWNGZOD-UHFFFAOYSA-N 1 0 173.215 2.381 50 0 in-vitro AEAARO Cc1ccccc1OC[C@@H]([NH3+])C1CC1 68902171 171104901 /nfs/dbraw/zinc/10/49/01/171104901.db2.gz XKCAUAGLWCCDTA-LLVKDONJSA-N 1 0 191.274 2.111 50 0 AEAARO Cc1ccccc1[C@@H]1C[NH2+][C@@H](C)C1 68576637 171104923 /nfs/dbraw/zinc/10/49/23/171104923.db2.gz TZDTZINRPCSMRZ-QWRGUYRKSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO Cc1ccccc1[C@@H]1C[NH2+][C@H](C)C1 68576642 171104981 /nfs/dbraw/zinc/10/49/81/171104981.db2.gz TZDTZINRPCSMRZ-MNOVXSKESA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO Cc1ccccc1OC[C@H]([NH3+])C1CC1 68902164 171105218 /nfs/dbraw/zinc/10/52/18/171105218.db2.gz XKCAUAGLWCCDTA-NSHDSACASA-N 1 0 191.274 2.111 50 0 AEAARO Oc1ccc(C[NH+]2CCCC2)cc1F 66347576 171105278 /nfs/dbraw/zinc/10/52/78/171105278.db2.gz LMSWEQHZZAVVHG-UHFFFAOYSA-N 1 0 195.237 2.127 50 0 AEAARO [NH3+]C1CCC2(CCC2)CC1 71256314 171106621 /nfs/dbraw/zinc/10/66/21/171106621.db2.gz RYAOBOBRKJJPEE-UHFFFAOYSA-N 1 0 139.242 2.058 50 0 AEAARO [NH3+]CC1(Cc2ccc(F)cc2)CC1 71497794 171107813 /nfs/dbraw/zinc/10/78/13/171107813.db2.gz BMDRIRSWAMBAME-UHFFFAOYSA-N 1 0 179.238 2.107 50 0 in-vitro AEAARO Cc1ccccc1CC1(C[NH3+])CC1 71496915 171108073 /nfs/dbraw/zinc/10/80/73/171108073.db2.gz YTJWVAJVCVNWBW-UHFFFAOYSA-N 1 0 175.275 2.276 50 0 AEAARO [NH3+]CC1(Cc2ccccc2F)CC1 71497791 171108127 /nfs/dbraw/zinc/10/81/27/171108127.db2.gz NOVVTYGRAPFUFZ-UHFFFAOYSA-N 1 0 179.238 2.107 50 0 AEAARO [NH3+]CC1(Cc2ccccc2)CCC1 74941782 171111893 /nfs/dbraw/zinc/11/18/93/171111893.db2.gz LFQUDPUKJQUQHR-UHFFFAOYSA-N 1 0 175.275 2.358 50 0 in-vitro AEAARO [NH3+]CC1(Cc2cccc(F)c2)CC1 74304931 171111996 /nfs/dbraw/zinc/11/19/96/171111996.db2.gz BANHPWNNVJOTNQ-UHFFFAOYSA-N 1 0 179.238 2.107 50 0 AEAARO [NH3+]C1(c2ccc(Cl)nc2)CCC1 75086075 171112007 /nfs/dbraw/zinc/11/20/07/171112007.db2.gz MTUNMENRAFETMO-UHFFFAOYSA-N 1 0 182.654 2.073 50 0 AEAARO [NH3+]CC1(c2ccc(Cl)cc2F)CC1 75934187 171116576 /nfs/dbraw/zinc/11/65/76/171116576.db2.gz GOXQPPHDYADIJY-UHFFFAOYSA-N 1 0 199.656 2.469 50 0 AEAARO c1cc(CCC2CC[NH2+]CC2)ccn1 76634698 171119644 /nfs/dbraw/zinc/11/96/44/171119644.db2.gz BZLMRWRITNQGQQ-UHFFFAOYSA-N 1 0 190.290 2.014 50 0 AEAARO CC(C)c1cccc(C[NH3+])c1 77912519 171120405 /nfs/dbraw/zinc/12/04/05/171120405.db2.gz UMGGFLATENTNHY-UHFFFAOYSA-N 1 0 149.237 2.269 50 0 AEAARO [NH3+]CC1(c2ccncc2)CCCCC1 82883702 171126790 /nfs/dbraw/zinc/12/67/90/171126790.db2.gz XYFQMTCMVOQNHU-UHFFFAOYSA-N 1 0 190.290 2.242 50 0 in-vitro AEAARO [NH3+]C1(c2cc(Cl)ccc2F)CC1 83264422 171128651 /nfs/dbraw/zinc/12/86/51/171128651.db2.gz IEKUEFOBQJYKHH-UHFFFAOYSA-N 1 0 185.629 2.427 50 0 AEAARO [NH3+]CC1CC(c2ccccc2)C1 83181957 171128761 /nfs/dbraw/zinc/12/87/61/171128761.db2.gz OAYZCUQCMUYZBG-UHFFFAOYSA-N 1 0 161.248 2.139 50 0 in-vitro AEAARO c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC1 83823713 171130466 /nfs/dbraw/zinc/13/04/66/171130466.db2.gz DPCMPFLXANRCAX-LLVKDONJSA-N 1 0 188.274 2.211 50 0 AEAARO [NH3+]CC1(Cc2ccccc2F)CCC1 83570288 171130492 /nfs/dbraw/zinc/13/04/92/171130492.db2.gz BKSVKACCAUNCSF-UHFFFAOYSA-N 1 0 193.265 2.497 50 0 AEAARO [NH3+]CC1(Cc2ccc(F)cc2)CCC1 83570258 171130651 /nfs/dbraw/zinc/13/06/51/171130651.db2.gz QOKZPOFWIQOHQN-UHFFFAOYSA-N 1 0 193.265 2.497 50 0 AEAARO [NH3+]CC1(Cc2cccc(F)c2)CCC1 83570373 171130863 /nfs/dbraw/zinc/13/08/63/171130863.db2.gz JZEODXQFMMABPY-UHFFFAOYSA-N 1 0 193.265 2.497 50 0 AEAARO [NH3+]C1(Cc2cccc(F)c2)CCC1 83571150 171131079 /nfs/dbraw/zinc/13/10/79/171131079.db2.gz RUSRQKMEPNLRPJ-UHFFFAOYSA-N 1 0 179.238 2.250 50 0 in-vitro AEAARO c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC1 83823714 171131211 /nfs/dbraw/zinc/13/12/11/171131211.db2.gz DPCMPFLXANRCAX-NSHDSACASA-N 1 0 188.274 2.211 50 0 AEAARO [NH3+]CC1C[C@H]2CCC[C@@H](C1)C2 85398520 171132608 /nfs/dbraw/zinc/13/26/08/171132608.db2.gz CXNHZWNOGSBYEC-ULKQDVFKSA-N 1 0 153.269 2.162 50 0 AEAARO c1cncc(CCC2CC[NH2+]CC2)c1 88613737 171133360 /nfs/dbraw/zinc/13/33/60/171133360.db2.gz ZBGGTPZQCAWJHO-UHFFFAOYSA-N 1 0 190.290 2.014 50 0 AEAARO [NH3+]Cc1ccc2ccsc2c1 89195379 171133400 /nfs/dbraw/zinc/13/34/00/171133400.db2.gz SSMPCCLGNOQIGC-UHFFFAOYSA-N 1 0 163.245 2.360 50 0 AEAARO CC[NH+](CC)[C@@H](CN)c1ccccc1 95483745 171135998 /nfs/dbraw/zinc/13/59/98/171135998.db2.gz ZXCVEIVPQIPKIO-LBPRGKRZSA-N 1 0 192.306 2.028 50 0 AEAARO [NH3+]CC1CCC(C(F)F)CC1 95348239 171136124 /nfs/dbraw/zinc/13/61/24/171136124.db2.gz HUVGGOHJUFALLZ-UHFFFAOYSA-N 1 0 163.211 2.017 50 0 AEAARO [NH3+]C12CCCC(CC1)CC2 104641483 171148037 /nfs/dbraw/zinc/14/80/37/171148037.db2.gz NXSGVUNEEGQDRC-UHFFFAOYSA-N 1 0 139.242 2.058 50 0 AEAARO Cc1ccccc1[C@@]1(F)CC[NH2+]C1 107126967 171150018 /nfs/dbraw/zinc/15/00/18/171150018.db2.gz IWMVHGCXCQGGBU-LLVKDONJSA-N 1 0 179.238 2.153 50 0 in-vitro AEAARO Cc1ccccc1SCC[NH3+] 37665579 171152626 /nfs/dbraw/zinc/15/26/26/171152626.db2.gz KDKGUNGYIFBNPP-UHFFFAOYSA-N 1 0 167.277 2.046 50 0 AEAARO c1cc(C[NH+]2CCSCC2)cs1 4977470 171159876 /nfs/dbraw/zinc/15/98/76/171159876.db2.gz WCWGZYVEHFZQHX-UHFFFAOYSA-N 1 0 199.344 2.297 50 0 AEAARO F[C@@]1(c2cccc(Cl)c2)CC[NH2+]C1 158195520 171162425 /nfs/dbraw/zinc/16/24/25/171162425.db2.gz JBLMHBJCVNOONF-JTQLQIEISA-N 1 0 199.656 2.498 50 0 AEAARO C[NH+](C)CCOc1cccc(Cl)c1 4905498 171164205 /nfs/dbraw/zinc/16/42/05/171164205.db2.gz SZFPCKKLETZFDQ-UHFFFAOYSA-N 1 0 199.681 2.280 50 0 AEAARO CC(C)(C)C(=O)CC[NH+]1CCCCC1 4363180 171164326 /nfs/dbraw/zinc/16/43/26/171164326.db2.gz NMXXPJCNGVQNIB-UHFFFAOYSA-N 1 0 197.322 2.478 50 0 AEAARO Oc1ccc(C[C@H]2CCCC[NH2+]2)cc1 82389307 171168959 /nfs/dbraw/zinc/16/89/59/171168959.db2.gz JWPJAOZGRNAHFQ-LLVKDONJSA-N 1 0 191.274 2.077 50 0 AEAARO Oc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 82389306 171169012 /nfs/dbraw/zinc/16/90/12/171169012.db2.gz JWPJAOZGRNAHFQ-NSHDSACASA-N 1 0 191.274 2.077 50 0 AEAARO [NH3+]CC1(C(F)(F)F)CCCC1 82402651 171171723 /nfs/dbraw/zinc/17/17/23/171171723.db2.gz AJIVTQZQKQUVOD-UHFFFAOYSA-N 1 0 167.174 2.068 50 0 AEAARO COc1ccccc1C1=NCCC1 22115644 171172272 /nfs/dbraw/zinc/17/22/72/171172272.db2.gz PFWNUQUSUZFYPA-UHFFFAOYSA-N 1 0 175.231 2.278 50 0 AEAARO [NH3+]C1(c2c(F)cccc2F)CCC1 82875499 171176581 /nfs/dbraw/zinc/17/65/81/171176581.db2.gz HDBXUXZFDZHWLW-UHFFFAOYSA-N 1 0 183.201 2.303 50 0 AEAARO [NH3+]C1(c2ccccc2)CC(F)(F)C1 216718501 171181454 /nfs/dbraw/zinc/18/14/54/171181454.db2.gz OOEXLKOSNFZYTC-UHFFFAOYSA-N 1 0 183.201 2.270 50 0 in-vitro AEAARO Fc1cc(Cl)c2c(c1)C[NH2+]CC2 224551769 171183491 /nfs/dbraw/zinc/18/34/91/171183491.db2.gz MXSASXMQAPMODV-UHFFFAOYSA-N 1 0 185.629 2.125 50 0 AEAARO FC(F)(F)[C@@H]1CC[NH2+]CC12CCC2 238850860 171186691 /nfs/dbraw/zinc/18/66/91/171186691.db2.gz DBAQCURGWZIETB-SSDOTTSWSA-N 1 0 193.212 2.329 50 0 in-vitro AEAARO CN1CCCC(=O)[C@@H]1c1ccccc1 84248954 171188159 /nfs/dbraw/zinc/18/81/59/171188159.db2.gz VYBHWURNVRHSJY-LBPRGKRZSA-N 1 0 189.258 2.022 50 0 AEAARO CN1CCCC(=O)[C@H]1c1ccccc1 84248955 171188360 /nfs/dbraw/zinc/18/83/60/171188360.db2.gz VYBHWURNVRHSJY-GFCCVEGCSA-N 1 0 189.258 2.022 50 0 AEAARO [NH3+]CC1=C(Cl)CCCC1 45069125 171190087 /nfs/dbraw/zinc/19/00/87/171190087.db2.gz PVJQEIBVYXNZHA-UHFFFAOYSA-N 1 0 145.633 2.012 50 0 AEAARO C[n+]1cccc(-c2ccccc2)c1 967302 171196718 /nfs/dbraw/zinc/19/67/18/171196718.db2.gz CMJZRLIOGSSFJB-UHFFFAOYSA-N 1 0 170.235 2.178 50 0 AEAARO CC[n+]1ccc2ccccc2c1 1233047 171206658 /nfs/dbraw/zinc/20/66/58/171206658.db2.gz OWGCDBAIDIALRR-UHFFFAOYSA-N 1 0 158.224 2.147 50 0 AEAARO Cc1ccccc1C1([NH3+])CCC1 34963517 171212278 /nfs/dbraw/zinc/21/22/78/171212278.db2.gz GJIABTCSJNIWOX-UHFFFAOYSA-N 1 0 161.248 2.333 50 0 AEAARO C[n+]1ccc2c(c1)[nH]c1ccccc12 394500 171215353 /nfs/dbraw/zinc/21/53/53/171215353.db2.gz UDHBHTHWWOQPBW-UHFFFAOYSA-O 1 0 183.234 2.146 50 0 in-vivo AEAARO CN1CCCC[C@H]1[C@H]1CCCCC[NH2+]1 239302810 171219298 /nfs/dbraw/zinc/21/92/98/171219298.db2.gz FOKUOISMVYSDEI-NEPJUHHUSA-N 1 0 196.338 2.003 50 0 in-vitro AEAARO Cc1ccc2[nH]cc(CCC[NH3+])c2c1 1837472 171221258 /nfs/dbraw/zinc/22/12/58/171221258.db2.gz KFESEJGQXUWYJU-UHFFFAOYSA-N 1 0 188.274 2.368 50 0 biogenic AEAARO C#[N+]c1ccc(C)c(C(=O)OC)c1 202523076 344367343 /nfs/dbraw/zinc/36/73/43/344367343.db2.gz WOTOSXCDIFGSRW-UHFFFAOYSA-N 1 0 175.187 2.332 50 0 AEAARO Cc1cc2c([nH+]c1C)NCCC2 238542954 344812128 /nfs/dbraw/zinc/81/21/28/344812128.db2.gz JSOQMKWXHKLASR-UHFFFAOYSA-N 1 0 162.236 2.057 50 0 AEAARO CC(C)(C)[C@@H]([NH3+])c1ccco1 43607039 207352388 /nfs/dbraw/zinc/35/23/88/207352388.db2.gz NWBISWZGDOEFBC-QMMMGPOBSA-N 1 0 153.225 2.326 50 0 in-vitro AEAARO O[C@H]1CCC[N@H+](CC2CCCCC2)C1 32819340 351429206 /nfs/dbraw/zinc/42/92/06/351429206.db2.gz RHEPVGOPIKIEJP-LBPRGKRZSA-N 1 0 197.322 2.023 50 0 AEAARO O[C@H]1CCCCC[C@H]1[NH+]1CCCCC1 40488484 351508071 /nfs/dbraw/zinc/50/80/71/351508071.db2.gz MBQOZOVWEOSXAT-NEPJUHHUSA-N 1 0 197.322 2.166 50 0 AEAARO C[C@@H]1C[C@@H](c2ccsc2)C[NH2+]1 70586652 351603891 /nfs/dbraw/zinc/60/38/91/351603891.db2.gz LOHWQGFZYGZIOQ-VXNVDRBHSA-N 1 0 167.277 2.214 50 0 in-vitro AEAARO C[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 82868722 351642711 /nfs/dbraw/zinc/64/27/11/351642711.db2.gz LWWZHBFSFLPGPG-JQWIXIFHSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@@H]([NH3+])c1cccc(OC2CC2)c1 108369087 325620513 /nfs/dbraw/zinc/62/05/13/325620513.db2.gz MPWNUUBYWOKATJ-MRVPVSSYSA-N 1 0 177.247 2.248 50 0 in-vitro AEAARO CN1CCC([NH2+]C2CCCCC2)CC1 14608618 325597365 /nfs/dbraw/zinc/59/73/65/325597365.db2.gz PEJMIIJDQORDIO-UHFFFAOYSA-N 1 0 196.338 2.003 50 0 in-vitro AEAARO c1ccc([C@H]2C[C@@H]3C[NH2+]C[C@@H]32)cc1 34411008 325599298 /nfs/dbraw/zinc/59/92/98/325599298.db2.gz ZEICVRUUVHTYRQ-UTUOFQBUSA-N 1 0 173.259 2.010 50 0 AEAARO CC1(C)CCC(C)([NH3+])CC1 70621819 325605375 /nfs/dbraw/zinc/60/53/75/325605375.db2.gz UVTVALOOKLRSOA-UHFFFAOYSA-N 1 0 141.258 2.304 50 0 AEAARO [NH3+]Cc1cc(-c2ccccc2)ns1 75396412 325606430 /nfs/dbraw/zinc/60/64/30/325606430.db2.gz KCTFFVBSAKUXLG-UHFFFAOYSA-N 1 0 190.271 2.269 50 0 AEAARO CC1(C)CCC[C@@H]([NH3+])CC1 78724508 325606777 /nfs/dbraw/zinc/60/67/77/325606777.db2.gz OHAGXVKMIWECGJ-MRVPVSSYSA-N 1 0 141.258 2.304 50 0 AEAARO [NH3+]CC1(C(F)(F)F)CCCCC1 79874936 325606791 /nfs/dbraw/zinc/60/67/91/325606791.db2.gz YSCQHUCCSWHDLL-UHFFFAOYSA-N 1 0 181.201 2.458 50 0 AEAARO CC1(C)CCCC[C@@H]1C[NH3+] 78724909 325606812 /nfs/dbraw/zinc/60/68/12/325606812.db2.gz YMFOFTIBSUHGNX-MRVPVSSYSA-N 1 0 141.258 2.162 50 0 AEAARO CC1(C)CCC[C@H]([NH3+])CC1 78724506 325606843 /nfs/dbraw/zinc/60/68/43/325606843.db2.gz OHAGXVKMIWECGJ-QMMMGPOBSA-N 1 0 141.258 2.304 50 0 AEAARO C[C@H]1CC(C[NH3+])C[C@H](C)C1 78724758 325606923 /nfs/dbraw/zinc/60/69/23/325606923.db2.gz RDLFPXZUZARLIS-HTQZYQBOSA-N 1 0 141.258 2.017 50 0 AEAARO C[C@@]1(C2CCCCC2)CC[NH2+]1 84178857 325609116 /nfs/dbraw/zinc/60/91/16/325609116.db2.gz ZQYYIYFCEPZLKJ-JTQLQIEISA-N 1 0 153.269 2.319 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CC[C@@H]1c1ccccc1 84252053 325609212 /nfs/dbraw/zinc/60/92/12/325609212.db2.gz JTSHFZDOMOCTGE-WDEREUQCSA-N 1 0 161.248 2.139 50 0 AEAARO [NH3+]C[C@@H]1CC[C@H]1c1ccccc1 84252052 325609314 /nfs/dbraw/zinc/60/93/14/325609314.db2.gz JTSHFZDOMOCTGE-QWRGUYRKSA-N 1 0 161.248 2.139 50 0 AEAARO CC1(C)CCC[C@H]1CC[NH3+] 86868269 325611157 /nfs/dbraw/zinc/61/11/57/325611157.db2.gz SRTVFINDKQULLM-QMMMGPOBSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CCC(CC)CCC[NH2+]C 87174632 325611306 /nfs/dbraw/zinc/61/13/06/325611306.db2.gz FKGWFWDQBCHHOA-UHFFFAOYSA-N 1 0 143.274 2.422 50 0 AEAARO CC[NH+](CC)C/C=C(/C)Cl 96026359 325612838 /nfs/dbraw/zinc/61/28/38/325612838.db2.gz RKXMDOJHSMSEKQ-VURMDHGXSA-N 1 0 161.676 2.471 50 0 AEAARO C[Si](C)(C)C1(C[NH3+])CCC1 169829293 325626451 /nfs/dbraw/zinc/62/64/51/325626451.db2.gz RNYTULZEYZJPMC-UHFFFAOYSA-N 1 0 157.333 2.208 50 0 AEAARO C[C@H]1C[C@@H](C)C[C@H](C[NH3+])C1 252464256 325635235 /nfs/dbraw/zinc/63/52/35/325635235.db2.gz RDLFPXZUZARLIS-BRPSZJMVSA-N 1 0 141.258 2.017 50 0 AEAARO [NH3+]C1CCC(C2CCC2)CC1 259093644 325637926 /nfs/dbraw/zinc/63/79/26/325637926.db2.gz DNZIRNWEHCZCTF-UHFFFAOYSA-N 1 0 153.269 2.304 50 0 AEAARO Cc1cccc2c3c([nH]c12)C[NH2+]CC3 20437 342923985 /nfs/dbraw/zinc/92/39/85/342923985.db2.gz BTKJQUALQIBJKQ-UHFFFAOYSA-N 1 0 186.258 2.122 50 0 AEAARO Cc1cccc(C)c1OC[C@@H](C)[NH3+] 20257 342924015 /nfs/dbraw/zinc/92/40/15/342924015.db2.gz VLPIATFUUWWMKC-SNVBAGLBSA-N 1 0 179.263 2.029 50 0 fda AEAARO CCC[N@H+](CCO)C[C@@H]1CC=CCC1 41607 342924863 /nfs/dbraw/zinc/92/48/63/342924863.db2.gz ATFKDGVKKZUFCY-GFCCVEGCSA-N 1 0 197.322 2.047 50 0 AEAARO CCc1nc2ccccc2[nH]1 55212 342925112 /nfs/dbraw/zinc/92/51/12/342925112.db2.gz QHCCOYAKYCWDOJ-UHFFFAOYSA-N 1 0 146.193 2.125 50 0 in-vitro AEAARO Cc1cccc(C)c1OC[C@H](C)[NH3+] 57062 342925476 /nfs/dbraw/zinc/92/54/76/342925476.db2.gz VLPIATFUUWWMKC-JTQLQIEISA-N 1 0 179.263 2.029 50 0 fda AEAARO C[C@H]([NH3+])Cc1c[nH]c2ccc(F)cc12 57322 342925598 /nfs/dbraw/zinc/92/55/98/342925598.db2.gz CTGFDWBZMCPVED-ZETCQYMHSA-N 1 0 192.237 2.197 50 0 AEAARO C[NH+](C)Cc1c[nH]c2ccccc12 73686 342925799 /nfs/dbraw/zinc/92/57/99/342925799.db2.gz OCDGBSUVYYVKQZ-UHFFFAOYSA-N 1 0 174.247 2.230 50 0 endogenous,in-man AEAARO Cc1ccc(CSC(N)=[NH2+])cc1 96836 342926353 /nfs/dbraw/zinc/92/63/53/342926353.db2.gz PWJIOPUMPZSBEI-UHFFFAOYSA-N 1 0 180.276 2.122 50 0 in-vivo AEAARO Cc1[nH]c2c(F)cccc2c1CC[NH3+] 98107 342926933 /nfs/dbraw/zinc/92/69/33/342926933.db2.gz XNPHNSIBTGHUOJ-UHFFFAOYSA-N 1 0 192.237 2.117 50 0 biogenic,in-vitro AEAARO C[C@H]([NH3+])Cc1ccc(Cl)cc1 120259 342927339 /nfs/dbraw/zinc/92/73/39/342927339.db2.gz WWPITPSIWMXDPE-ZETCQYMHSA-N 1 0 169.655 2.230 50 0 in-vivo AEAARO CC[C@@H]([NH3+])Cc1c[nH]c2ccccc12 139370 342927649 /nfs/dbraw/zinc/92/76/49/342927649.db2.gz ZXUMUPVQYAFTLF-SNVBAGLBSA-N 1 0 188.274 2.448 50 0 investigational AEAARO C[C@H]1C[NH+]=C(NC2CCCCC2)S1 135007 342927654 /nfs/dbraw/zinc/92/76/54/342927654.db2.gz YTOWYFLOSOHRDY-QMMMGPOBSA-N 1 0 198.335 2.400 50 0 in-vitro AEAARO CC[C@H]([NH3+])Cc1c[nH]c2ccccc12 139367 342927716 /nfs/dbraw/zinc/92/77/16/342927716.db2.gz ZXUMUPVQYAFTLF-JTQLQIEISA-N 1 0 188.274 2.448 50 0 investigational AEAARO C[C@@H]1C[NH+]=C(NC2CCCCC2)S1 135009 342927734 /nfs/dbraw/zinc/92/77/34/342927734.db2.gz YTOWYFLOSOHRDY-MRVPVSSYSA-N 1 0 198.335 2.400 50 0 in-vitro AEAARO C[C@H]1C[N@@H+](C2CCCCC2)CCC1=O 129236 342927833 /nfs/dbraw/zinc/92/78/33/342927833.db2.gz SHFOBFYCUAWAOO-JTQLQIEISA-N 1 0 195.306 2.230 50 0 AEAARO Cc1[nH]c2c(C)cccc2c1CC[NH3+] 141641 342928099 /nfs/dbraw/zinc/92/80/99/342928099.db2.gz MRCZUYPMFAPJQH-UHFFFAOYSA-N 1 0 188.274 2.286 50 0 in-vitro AEAARO Cc1cc(C[NH+](C)C)cc(C)c1O 152729 342928645 /nfs/dbraw/zinc/92/86/45/342928645.db2.gz LCWKIAHCEIHHJE-UHFFFAOYSA-N 1 0 179.263 2.071 50 0 in-vitro AEAARO c1ccc(CC[NH+]2CCCCC2)nc1 152565 342928681 /nfs/dbraw/zinc/92/86/81/342928681.db2.gz ZOXWZYTVCGKPOX-UHFFFAOYSA-N 1 0 190.290 2.110 50 0 AEAARO Cc1cc(N)c2ccccc2[nH+]1 157475 342929331 /nfs/dbraw/zinc/92/93/31/342929331.db2.gz COCFIBRMFPWUDW-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 in-vitro AEAARO Cc1ccc(C[NH3+])cc1Cl 160569 342930031 /nfs/dbraw/zinc/93/00/31/342930031.db2.gz MXIGALIASISPNU-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO CCn1c(C)nc2cc(O)ccc21 226164 342931473 /nfs/dbraw/zinc/93/14/73/342931473.db2.gz NYOHOCQIVJTLKT-UHFFFAOYSA-N 1 0 176.219 2.070 50 0 AEAARO C[C@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1 214782 342931523 /nfs/dbraw/zinc/93/15/23/342931523.db2.gz RRUVGSWTIMCTJM-UZEXVOJHSA-N 1 0 197.322 2.068 50 0 AEAARO C[C@H](C[NH+](C)C)C(=O)c1ccccc1 186022 342931271 /nfs/dbraw/zinc/93/12/71/342931271.db2.gz IBKTXALXQACSRE-SNVBAGLBSA-N 1 0 191.274 2.067 50 0 in-vitro AEAARO C[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 214789 342931605 /nfs/dbraw/zinc/93/16/05/342931605.db2.gz RRUVGSWTIMCTJM-VOBJUBJWSA-N 1 0 197.322 2.068 50 0 AEAARO CC1CCC([N@@H+]2CCC[C@H]2CO)CC1 217504 342931643 /nfs/dbraw/zinc/93/16/43/342931643.db2.gz XFLXUPIJACULKK-MCIGGMRASA-N 1 0 197.322 2.022 50 0 AEAARO CCc1c2ccc(C)n2cc[n+]1CC 270707 342932407 /nfs/dbraw/zinc/93/24/07/342932407.db2.gz HMINLBDZMBXGCF-UHFFFAOYSA-N 1 0 189.282 2.118 50 0 AEAARO C[C@@]12Nc3ccccc3[C@]1(C)CC[NH2+]2 270803 342932449 /nfs/dbraw/zinc/93/24/49/342932449.db2.gz YRGOWDBYXNBWFD-NWDGAFQWSA-N 1 0 188.274 2.079 50 0 biogenic AEAARO C[C@@]12CC[NH2+][C@@]1(C)Nc1ccccc12 270800 342932452 /nfs/dbraw/zinc/93/24/52/342932452.db2.gz YRGOWDBYXNBWFD-RYUDHWBXSA-N 1 0 188.274 2.079 50 0 biogenic AEAARO C[n+]1cccc2c3ccccc3[nH]c21 331541 342933654 /nfs/dbraw/zinc/93/36/54/342933654.db2.gz OOMREJOXOCWRAS-UHFFFAOYSA-O 1 0 183.234 2.146 50 0 AEAARO CC(C)c1[nH]c2ccc(N)cc2[nH+]1 337259 342934476 /nfs/dbraw/zinc/93/44/76/342934476.db2.gz CSAYYKPWXOVGEU-UHFFFAOYSA-N 1 0 175.235 2.269 50 0 AEAARO Oc1cccc(C[NH+]2CCCCC2)c1 347230 342934914 /nfs/dbraw/zinc/93/49/14/342934914.db2.gz ORGBERFQYFWYGX-UHFFFAOYSA-N 1 0 191.274 2.378 50 0 in-vitro AEAARO c1ccc(C[NH+]2CCCCC2)nc1 393794 342937156 /nfs/dbraw/zinc/93/71/56/342937156.db2.gz KTXLDFXGPHVDFV-UHFFFAOYSA-N 1 0 176.263 2.068 50 0 in-vitro AEAARO [NH3+]CC1(c2ccc(Cl)cc2)CC1 394778 342937519 /nfs/dbraw/zinc/93/75/19/342937519.db2.gz VXHKUEKHNVGRTP-UHFFFAOYSA-N 1 0 181.666 2.330 50 0 in-vitro AEAARO C[C@H](C[NH3+])c1ccc(Cl)cc1 402805 342938231 /nfs/dbraw/zinc/93/82/31/342938231.db2.gz FLACJAGRDZAFJF-SSDOTTSWSA-N 1 0 169.655 2.402 50 0 in-vitro AEAARO C[NH+](C)Cc1c[nH]c2cc(F)ccc12 402908 342938362 /nfs/dbraw/zinc/93/83/62/342938362.db2.gz PAAOUYLDLVHKKR-UHFFFAOYSA-N 1 0 192.237 2.369 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1c[nH]c2ccccc12 404450 342938510 /nfs/dbraw/zinc/93/85/10/342938510.db2.gz QSQQQURBVYWZKJ-QMMMGPOBSA-N 1 0 174.247 2.058 50 0 in-man AEAARO CN(c1ccccc1)c1cc[nH+]cc1N 481259 342939621 /nfs/dbraw/zinc/93/96/21/342939621.db2.gz WZJGJQFRGIFZNC-UHFFFAOYSA-N 1 0 199.257 2.432 50 0 AEAARO C[C@H](C[NH+](C)C)C(=O)c1ccsc1 480770 342939694 /nfs/dbraw/zinc/93/96/94/342939694.db2.gz QSIISOLXWZWFAO-MRVPVSSYSA-N 1 0 197.303 2.129 50 0 AEAARO CC[C@@]1(C)C[C@@]2(CCC[NH2+]C2)CCO1 518536 342940332 /nfs/dbraw/zinc/94/03/32/342940332.db2.gz YGCDDSBUNPZULH-NWDGAFQWSA-N 1 0 197.322 2.335 50 0 biogenic AEAARO CC[C@]1(C)C[C@@]2(CCC[NH2+]C2)CCO1 518537 342940363 /nfs/dbraw/zinc/94/03/63/342940363.db2.gz YGCDDSBUNPZULH-VXGBXAGGSA-N 1 0 197.322 2.335 50 0 biogenic AEAARO CC[C@@]1(C)C[C@]2(CCC[NH2+]C2)CCO1 518534 342940401 /nfs/dbraw/zinc/94/04/01/342940401.db2.gz YGCDDSBUNPZULH-RYUDHWBXSA-N 1 0 197.322 2.335 50 0 biogenic AEAARO Cc1[nH+]c(C)c(O)c(C)c1C 507485 342940404 /nfs/dbraw/zinc/94/04/04/342940404.db2.gz HKNDPWYEACZSHE-UHFFFAOYSA-N 1 0 151.209 2.021 50 0 AEAARO Cc1ccc(C)c2c(CC[NH3+])c[nH]c12 518802 342940431 /nfs/dbraw/zinc/94/04/31/342940431.db2.gz ODUHHJKGVWEWOO-UHFFFAOYSA-N 1 0 188.274 2.286 50 0 biogenic AEAARO CC[C@]1(C)C[C@]2(CCC[NH2+]C2)CCO1 518535 342940508 /nfs/dbraw/zinc/94/05/08/342940508.db2.gz YGCDDSBUNPZULH-NEPJUHHUSA-N 1 0 197.322 2.335 50 0 biogenic AEAARO Cc1nc2scc(C)[n+]2c(C)c1C 549685 342940853 /nfs/dbraw/zinc/94/08/53/342940853.db2.gz FZXDYSGQAHHEDG-UHFFFAOYSA-N 1 0 193.295 2.115 50 0 AEAARO c1cncc(C[NH2+]C2CCCC2)c1 570736 342941148 /nfs/dbraw/zinc/94/11/48/342941148.db2.gz UDEXMRQTOXSRFR-UHFFFAOYSA-N 1 0 176.263 2.114 50 0 AEAARO C[C@H]([NH3+])CC1CCCCC1 896984 342942138 /nfs/dbraw/zinc/94/21/38/342942138.db2.gz GIXSTBOIKJPUKD-QMMMGPOBSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO C[N@H+]1CC=C(c2ccccc2)CC1 968184 342942340 /nfs/dbraw/zinc/94/23/40/342942340.db2.gz PLRACCBDVIHHLZ-UHFFFAOYSA-N 1 0 173.259 2.406 50 0 in-vivo AEAARO Cc1ccc2cccc3c2[n+]1CCC3 1017375 342942600 /nfs/dbraw/zinc/94/26/00/342942600.db2.gz NXPVGVBRHDIJSV-UHFFFAOYSA-N 1 0 184.262 2.382 50 0 AEAARO [NH3+]CC1(c2ccccc2)CCCC1 984833 342942803 /nfs/dbraw/zinc/94/28/03/342942803.db2.gz SJWOFBVBNFLWLP-UHFFFAOYSA-N 1 0 175.275 2.457 50 0 in-vivo AEAARO C[C@H]1C[N@H+](C)[C@H](C)c2cc[nH]c21 1044332 342943158 /nfs/dbraw/zinc/94/31/58/342943158.db2.gz WVTOBSCFCZZSOE-JGVFFNPUSA-N 1 0 164.252 2.125 50 0 AEAARO CC[N+]1=C(C)c2ccccc2CC1 1225194 342943489 /nfs/dbraw/zinc/94/34/89/342943489.db2.gz ALXQCFROLTVPCB-UHFFFAOYSA-N 1 0 174.267 2.084 50 0 AEAARO Cc1cccc[n+]1CCC(C)C 1187530 342943640 /nfs/dbraw/zinc/94/36/40/342943640.db2.gz MRRABVZBDPAIAW-UHFFFAOYSA-N 1 0 164.272 2.329 50 0 AEAARO CC[n+]1cccc2ccccc21 1187529 342943713 /nfs/dbraw/zinc/94/37/13/342943713.db2.gz CBMDQVNFHVUOIB-UHFFFAOYSA-N 1 0 158.224 2.147 50 0 AEAARO Cc1cccc[n+]1Cc1ccccc1 1297839 342944038 /nfs/dbraw/zinc/94/40/38/342944038.db2.gz GZODBWVCIKIWKC-UHFFFAOYSA-N 1 0 184.262 2.331 50 0 AEAARO c1ccc(C2=[NH+]CCC2)cc1 1444858 342945263 /nfs/dbraw/zinc/94/52/63/342945263.db2.gz PQZAWZGYOZRUFT-UHFFFAOYSA-N 1 0 145.205 2.270 50 0 in-vitro AEAARO c1ccc([C@@H]2CCC[NH2+]2)cc1 1444852 342945369 /nfs/dbraw/zinc/94/53/69/342945369.db2.gz JUTDHSGANMHVIC-JTQLQIEISA-N 1 0 147.221 2.111 50 0 in-vitro AEAARO CCc1nc2ccccc2n1COC 1470597 342945729 /nfs/dbraw/zinc/94/57/29/342945729.db2.gz NXTDEEGJOAAVFT-UHFFFAOYSA-N 1 0 190.246 2.203 50 0 AEAARO C[C@H](Cc1ccccc1)[NH+](C)C 1509965 342946140 /nfs/dbraw/zinc/94/61/40/342946140.db2.gz OBDSVYOSYSKVMX-SNVBAGLBSA-N 1 0 163.264 2.179 50 0 world AEAARO CC[C@H]([NH3+])c1cccs1 1577503 342948778 /nfs/dbraw/zinc/94/87/78/342948778.db2.gz MKSQLXYFWYXTSM-LURJTMIESA-N 1 0 141.239 2.158 50 0 in-vitro AEAARO C[NH2+]CCCCc1ccccc1 1577516 342948784 /nfs/dbraw/zinc/94/87/84/342948784.db2.gz TXYKOQZEJZWJEN-UHFFFAOYSA-N 1 0 163.264 2.229 50 0 in-vitro AEAARO C[C@H](c1cccc(O)c1)[NH+](C)C 1577510 342948846 /nfs/dbraw/zinc/94/88/46/342948846.db2.gz GQZXRLWUYONVCP-MRVPVSSYSA-N 1 0 165.236 2.015 50 0 in-vitro AEAARO Cn1cc(C[NH+](C)C)c2ccccc21 1584642 342949147 /nfs/dbraw/zinc/94/91/47/342949147.db2.gz QAJUUSZYZIUHQI-UHFFFAOYSA-N 1 0 188.274 2.240 50 0 AEAARO C[C@H](c1ccccc1)[NH+](C)C 1586646 342949427 /nfs/dbraw/zinc/94/94/27/342949427.db2.gz BVURNMLGDQYNAF-SECBINFHSA-N 1 0 149.237 2.309 50 0 endogenous,in-man AEAARO Cc1cc[n+](Cc2ccccc2)cc1 1597044 342950458 /nfs/dbraw/zinc/95/04/58/342950458.db2.gz SZAVXDFBYYCZLW-UHFFFAOYSA-N 1 0 184.262 2.331 50 0 AEAARO Cc1cc(C)c(CC[NH3+])c(C)c1 1604285 342951657 /nfs/dbraw/zinc/95/16/57/342951657.db2.gz QUIIKTQSGAWIAC-UHFFFAOYSA-N 1 0 163.264 2.113 50 0 in-vitro AEAARO CCCCC[C@@H](C)[NH2+]C 1634320 342953358 /nfs/dbraw/zinc/95/33/58/342953358.db2.gz BGWFQRDYRSCOCO-MRVPVSSYSA-N 1 0 129.247 2.175 50 0 AEAARO CCCC[NH+](CCCC)C[C@H](C)O 1635593 342953522 /nfs/dbraw/zinc/95/35/22/342953522.db2.gz ICMJHPBQTVWCNT-NSHDSACASA-N 1 0 187.327 2.269 50 0 in-vitro AEAARO CC1=[NH+]CCc2ccccc21 1641687 342953723 /nfs/dbraw/zinc/95/37/23/342953723.db2.gz JZZLDIIDMFCOGF-UHFFFAOYSA-N 1 0 145.205 2.052 50 0 in-vitro AEAARO CCCCc1ccc(NC(N)=[NH2+])cc1 1650281 342954364 /nfs/dbraw/zinc/95/43/64/342954364.db2.gz IIRIDIBAVSYTKC-UHFFFAOYSA-N 1 0 191.278 2.335 50 0 AEAARO CCC[NH+](CCC)CCCCCO 1649069 342954583 /nfs/dbraw/zinc/95/45/83/342954583.db2.gz WLWVZIAIMQDJKQ-UHFFFAOYSA-N 1 0 187.327 2.271 50 0 AEAARO CC1(C)CO[C@H](c2ccccc2)C[NH2+]1 1656378 342954760 /nfs/dbraw/zinc/95/47/60/342954760.db2.gz KJUOROGOOZJYAI-NSHDSACASA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO C[C@H]([NH3+])CCCc1ccccc1 1665104 342955131 /nfs/dbraw/zinc/95/51/31/342955131.db2.gz RFKNDRWCBBUQAB-JTQLQIEISA-N 1 0 163.264 2.357 50 0 AEAARO C[NH2+]CC(C)(C)c1ccccc1 1678372 342957671 /nfs/dbraw/zinc/95/76/71/342957671.db2.gz XAULHYUJKOOAEB-UHFFFAOYSA-N 1 0 163.264 2.184 50 0 in-vitro AEAARO CC[C@@](C)([NH3+])c1ccccc1 1686424 342958310 /nfs/dbraw/zinc/95/83/10/342958310.db2.gz XTTQGFJZEYVZAP-SNVBAGLBSA-N 1 0 149.237 2.271 50 0 AEAARO C[C@H]([NH3+])Cc1cc2ccccc2o1 1684591 342958399 /nfs/dbraw/zinc/95/83/99/342958399.db2.gz QGLBWEFCBFEAPH-QMMMGPOBSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO Cc1cc(C)c(CC[NH3+])cc1C 1688168 342958606 /nfs/dbraw/zinc/95/86/06/342958606.db2.gz YXHQCTYIPCCUFC-UHFFFAOYSA-N 1 0 163.264 2.113 50 0 AEAARO Cc1ccc(C(C)C)c(OCC[NH3+])c1 1688468 342958775 /nfs/dbraw/zinc/95/87/75/342958775.db2.gz VUXYWKZEEIITOF-UHFFFAOYSA-N 1 0 193.290 2.456 50 0 in-vitro AEAARO C[C@H]1C[C@H](c2ccccc2)C[NH2+]1 1687488 342958779 /nfs/dbraw/zinc/95/87/79/342958779.db2.gz MCFFHJJRTWGOAS-ONGXEEELSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO C[C@H]1C[C@@H](c2ccccc2)C[NH2+]1 1687486 342958799 /nfs/dbraw/zinc/95/87/99/342958799.db2.gz MCFFHJJRTWGOAS-GXSJLCMTSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO CC(C)c1ccc(C[NH3+])cc1 1691012 342959046 /nfs/dbraw/zinc/95/90/46/342959046.db2.gz YQSHYGCCYVPRDI-UHFFFAOYSA-N 1 0 149.237 2.269 50 0 in-vitro AEAARO CCCC[NH+](CCCC)CCCO 1693406 342959315 /nfs/dbraw/zinc/95/93/15/342959315.db2.gz DMPODMBXLRMZSP-UHFFFAOYSA-N 1 0 187.327 2.271 50 0 in-vitro AEAARO Cc1cc(C)c(C[NH3+])cc1C 1692483 342959351 /nfs/dbraw/zinc/95/93/51/342959351.db2.gz PDHGIVRQQZJDAA-UHFFFAOYSA-N 1 0 149.237 2.071 50 0 AEAARO Cc1ccc(C2=CC[NH2+]CC2)cc1 1702524 342960561 /nfs/dbraw/zinc/96/05/61/342960561.db2.gz LHRYYSNFHJCZDT-UHFFFAOYSA-N 1 0 173.259 2.372 50 0 AEAARO C[N@H+]1CC=C(c2ccc(O)cc2)CC1 1706757 342961045 /nfs/dbraw/zinc/96/10/45/342961045.db2.gz GIGCUVKCMPXMAZ-UHFFFAOYSA-N 1 0 189.258 2.111 50 0 AEAARO Cc1ccc(SCCC[NH3+])cc1 1714517 342961178 /nfs/dbraw/zinc/96/11/78/342961178.db2.gz COIJEJZGZXPSIZ-UHFFFAOYSA-N 1 0 181.304 2.436 50 0 in-vitro AEAARO CC(C)[C@@H]1CC[C@H](C)CC[NH2+]1 1711575 342961213 /nfs/dbraw/zinc/96/12/13/342961213.db2.gz SYLDGZKLJZOUTQ-UWVGGRQHSA-N 1 0 155.285 2.421 50 0 in-vitro AEAARO Cc1ccc(SCC[NH3+])cc1 1714516 342961326 /nfs/dbraw/zinc/96/13/26/342961326.db2.gz UICHAGDPKJUFAE-UHFFFAOYSA-N 1 0 167.277 2.046 50 0 in-vitro AEAARO CC[C@@H]([NH2+]C)c1ccccc1 1720770 342962150 /nfs/dbraw/zinc/96/21/50/342962150.db2.gz YELGXBUYFOSFJM-SNVBAGLBSA-N 1 0 149.237 2.357 50 0 in-vitro AEAARO C[C@H](CC[NH3+])CC(C)(C)C 1730615 342962979 /nfs/dbraw/zinc/96/29/79/342962979.db2.gz SIABJTQKCPDDKL-MRVPVSSYSA-N 1 0 143.274 2.408 50 0 in-vitro AEAARO CC(C)[NH2+]C1CCCCC1 1760818 342964143 /nfs/dbraw/zinc/96/41/43/342964143.db2.gz UYYCVBASZNFFRX-UHFFFAOYSA-N 1 0 141.258 2.317 50 0 in-vitro AEAARO C[NH+](C)C/C=C/c1ccccc1 1842948 342964824 /nfs/dbraw/zinc/96/48/24/342964824.db2.gz SYUYXOYNRMMOGW-RMKNXTFCSA-N 1 0 161.248 2.261 50 0 AEAARO CCCCC[NH2+]CCC 1845260 342964947 /nfs/dbraw/zinc/96/49/47/342964947.db2.gz GFAQQAUTKWCQHA-UHFFFAOYSA-N 1 0 129.247 2.176 50 0 AEAARO CCC[NH2+]Cc1ccccc1 1852617 342965110 /nfs/dbraw/zinc/96/51/10/342965110.db2.gz OUMBFMLKPJUWDQ-UHFFFAOYSA-N 1 0 149.237 2.186 50 0 in-vitro AEAARO C[NH+](C)[C@H]1CCCc2ccccc2C1 2002403 342965826 /nfs/dbraw/zinc/96/58/26/342965826.db2.gz SPBHOHWGKSNKRC-ZDUSSCGKSA-N 1 0 189.302 2.496 50 0 AEAARO C[C@H]([NH3+])Cc1ccc2cc[nH]c2c1 2015704 342966920 /nfs/dbraw/zinc/96/69/20/342966920.db2.gz QCFIFKAOUKPFPU-QMMMGPOBSA-N 1 0 174.247 2.058 50 0 in-vitro AEAARO C[NH2+]C1C2CC3CC(C2)CC1C3 2023257 342967078 /nfs/dbraw/zinc/96/70/78/342967078.db2.gz VSKMVAJFNWCWPG-UHFFFAOYSA-N 1 0 165.280 2.031 50 0 in-vitro AEAARO CCCCc1ccc2[nH]c(N)[nH+]c2c1 2034559 342967876 /nfs/dbraw/zinc/96/78/76/342967876.db2.gz DDILIJVAQMXPMR-UHFFFAOYSA-N 1 0 189.262 2.488 50 0 AEAARO CCCC[NH+](CC)CC 2037813 342968195 /nfs/dbraw/zinc/96/81/95/342968195.db2.gz ORSUTASIQKBEFU-UHFFFAOYSA-N 1 0 129.247 2.128 50 0 AEAARO CCCCC[C@H](C)[NH2+]C 2041846 342968975 /nfs/dbraw/zinc/96/89/75/342968975.db2.gz BGWFQRDYRSCOCO-QMMMGPOBSA-N 1 0 129.247 2.175 50 0 AEAARO CCCC[C@@H](CC)C[NH3+] 2041132 342969033 /nfs/dbraw/zinc/96/90/33/342969033.db2.gz LTHNHFOGQMKPOV-MRVPVSSYSA-N 1 0 129.247 2.162 50 0 in-vitro AEAARO CCCC[NH+](CCCC)C[C@@H](C)O 2164118 342969968 /nfs/dbraw/zinc/96/99/68/342969968.db2.gz ICMJHPBQTVWCNT-LLVKDONJSA-N 1 0 187.327 2.269 50 0 in-vitro AEAARO CCCCC[NH2+]Cc1cccn1C 2178152 342970832 /nfs/dbraw/zinc/97/08/32/342970832.db2.gz FLECYAITDWQZLJ-UHFFFAOYSA-N 1 0 180.295 2.305 50 0 AEAARO CCCCCn1ccc(=[NH2+])cc1 2255692 342971191 /nfs/dbraw/zinc/97/11/91/342971191.db2.gz FMIAAFYACNQOSU-UHFFFAOYSA-N 1 0 164.252 2.158 50 0 AEAARO Cc1csc[n+]1Cc1ccccc1 2244244 342971257 /nfs/dbraw/zinc/97/12/57/342971257.db2.gz ZPUMABDHCNLYSY-UHFFFAOYSA-N 1 0 190.291 2.392 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)[NH3+])c(C)c1 2243824 342971286 /nfs/dbraw/zinc/97/12/86/342971286.db2.gz LFJDRMQPKZCUNL-SECBINFHSA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO CC(C)[C@H]([NH3+])c1nc2ccccc2[nH]1 2338910 342971511 /nfs/dbraw/zinc/97/15/11/342971511.db2.gz JDPVJORLNSVLOK-JTQLQIEISA-N 1 0 189.262 2.219 50 0 in-vitro AEAARO CC(C)[C@@H]([NH3+])c1nc2ccccc2[nH]1 2338912 342971517 /nfs/dbraw/zinc/97/15/17/342971517.db2.gz JDPVJORLNSVLOK-SNVBAGLBSA-N 1 0 189.262 2.219 50 0 in-vitro AEAARO C[N@@H+]1CC[C@@H](c2ccccc2)C1 2391295 342972148 /nfs/dbraw/zinc/97/21/48/342972148.db2.gz YDNBZEZHOYJIKQ-LLVKDONJSA-N 1 0 161.248 2.106 50 0 AEAARO CC[C@@H]([NH3+])c1ccc(C)cc1 2391966 342972164 /nfs/dbraw/zinc/97/21/64/342972164.db2.gz FWTZOQCAVLMPJE-SNVBAGLBSA-N 1 0 149.237 2.405 50 0 in-vitro AEAARO C[N@@H+]1CC[C@H](c2ccccc2)C1 2391300 342972402 /nfs/dbraw/zinc/97/24/02/342972402.db2.gz YDNBZEZHOYJIKQ-NSHDSACASA-N 1 0 161.248 2.106 50 0 in-vitro AEAARO CCCCn1c(N)[nH+]c2ccccc21 2475956 342972651 /nfs/dbraw/zinc/97/26/51/342972651.db2.gz BPFMGSARUNSBFM-UHFFFAOYSA-N 1 0 189.262 2.419 50 0 aggregator,in-vitro AEAARO Cc1ccc(OC[C@@H](C)[NH3+])c(C)c1 2507564 342972815 /nfs/dbraw/zinc/97/28/15/342972815.db2.gz CEUODTQHTDWQSN-SNVBAGLBSA-N 1 0 179.263 2.029 50 0 in-vitro AEAARO Cc1ccc([C@H](O)C[NH2+]C(C)C)cc1 2510052 342973237 /nfs/dbraw/zinc/97/32/37/342973237.db2.gz PFKFCGHAGOLFNW-GFCCVEGCSA-N 1 0 193.290 2.026 50 0 in-vitro AEAARO Cc1ccccc1/C=C/C1=[NH+]CCN1 2510570 342973432 /nfs/dbraw/zinc/97/34/32/342973432.db2.gz GFIPROCAVXFHHK-VOTSOKGWSA-N 1 0 186.258 2.010 50 0 AEAARO Cc1ccc(C[C@@H]2CC[NH2+]C2)cc1 2513099 342973454 /nfs/dbraw/zinc/97/34/54/342973454.db2.gz PLXKQUZKRRYQGR-LBPRGKRZSA-N 1 0 175.275 2.147 50 0 in-vitro AEAARO Cc1c(Cl)cccc1C[NH3+] 2515943 342973751 /nfs/dbraw/zinc/97/37/51/342973751.db2.gz LESUPVCBJDWKJH-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO Cc1ccc([C@H](C)[NH3+])cc1 2516987 342973793 /nfs/dbraw/zinc/97/37/93/342973793.db2.gz UZDDXUMOXKDXNE-QMMMGPOBSA-N 1 0 135.210 2.015 50 0 in-vitro AEAARO C[C@H](C[NH3+])Oc1ccccc1Cl 2513188 342973936 /nfs/dbraw/zinc/97/39/36/342973936.db2.gz JXMKQIVAKQTVJV-SSDOTTSWSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO Cc1cc(C)c(C[NH3+])c(C)c1 2524635 342974193 /nfs/dbraw/zinc/97/41/93/342974193.db2.gz DGSRAILDFBJNQI-UHFFFAOYSA-N 1 0 149.237 2.071 50 0 in-vitro AEAARO Cc1ccc([C@H]2CCC[N@H+]2C)cn1 2526416 342974235 /nfs/dbraw/zinc/97/42/35/342974235.db2.gz SWNIAVIKMKSDBJ-LLVKDONJSA-N 1 0 176.263 2.157 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cccc(-n2cccc2)c1 2534299 342975128 /nfs/dbraw/zinc/97/51/28/342975128.db2.gz MRPLWYVUULIYMY-JTQLQIEISA-N 1 0 186.258 2.497 50 0 in-vitro AEAARO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH3+])C2 2539614 342975378 /nfs/dbraw/zinc/97/53/78/342975378.db2.gz MDFWXZBEVCOVIO-WEDXCCLWSA-N 1 0 153.269 2.160 50 0 AEAARO Cc1ccc([C@@H]2CCC[NH2+]2)s1 2545000 342975921 /nfs/dbraw/zinc/97/59/21/342975921.db2.gz WBJASOWBXMIUHI-QMMMGPOBSA-N 1 0 167.277 2.481 50 0 in-vitro AEAARO C[C@H]1C[C@H]([NH3+])CC(C)(C)C1 2566230 342977153 /nfs/dbraw/zinc/97/71/53/342977153.db2.gz ZGMQLPDXPUINCQ-YUMQZZPRSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)[N@H+](C)C(C)(C)C 2564783 342977373 /nfs/dbraw/zinc/97/73/73/342977373.db2.gz WYLLBTPEHIVUKV-UHFFFAOYSA-N 1 0 129.247 2.125 50 0 AEAARO CC(C)[NH2+]Cc1ccc(F)cc1 2568487 342977595 /nfs/dbraw/zinc/97/75/95/342977595.db2.gz IDZSJVHMHRLKIU-UHFFFAOYSA-N 1 0 167.227 2.324 50 0 in-vitro AEAARO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH3+] 2572332 342977995 /nfs/dbraw/zinc/97/79/95/342977995.db2.gz CBYXIIFIKSBHEY-QXFUBDJGSA-N 1 0 153.269 2.160 50 0 AEAARO Cc1ccc(Cl)cc1C[NH3+] 2574315 342978104 /nfs/dbraw/zinc/97/81/04/342978104.db2.gz WXDWGQCDPGFBEN-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO Cc1cccc(C2CC[NH2+]CC2)c1 2577355 342978329 /nfs/dbraw/zinc/97/83/29/342978329.db2.gz JSJOAQXQUOPHDJ-UHFFFAOYSA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO Cc1ccc([C@@H]2CCC[NH2+]C2)cc1 2577381 342978354 /nfs/dbraw/zinc/97/83/54/342978354.db2.gz ZZAJVZCDEKJIEC-GFCCVEGCSA-N 1 0 175.275 2.462 50 0 AEAARO Cc1ccc(C)c([C@@H](C)[NH3+])c1 2577187 342978376 /nfs/dbraw/zinc/97/83/76/342978376.db2.gz ULGHUDXDTMIEAM-SECBINFHSA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)[NH3+])cc1C 2577184 342978423 /nfs/dbraw/zinc/97/84/23/342978423.db2.gz PMUVPGYHXWUERM-SECBINFHSA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO CCc1ccc([C@@H](C)[NH3+])cc1 2577186 342978456 /nfs/dbraw/zinc/97/84/56/342978456.db2.gz AMXXYSXDJUIPMZ-MRVPVSSYSA-N 1 0 149.237 2.269 50 0 in-vitro AEAARO Cc1cccc([C@@H]2CCC[NH2+]C2)c1 2577382 342978463 /nfs/dbraw/zinc/97/84/63/342978463.db2.gz OHFNOQQJKQDEOT-GFCCVEGCSA-N 1 0 175.275 2.462 50 0 in-vitro AEAARO CCCC[C@@H]1CCCC[NH2+]1 2582624 342978728 /nfs/dbraw/zinc/97/87/28/342978728.db2.gz PCNXNSPEWIRGJO-SECBINFHSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO Cc1ccc([C@@H]2CCC[NH2+]2)cc1 2582591 342978753 /nfs/dbraw/zinc/97/87/53/342978753.db2.gz TXFISDWSKUHPET-NSHDSACASA-N 1 0 161.248 2.420 50 0 in-vitro AEAARO Cc1cccc([C@@H]2CCC[NH2+]2)c1 2582586 342978767 /nfs/dbraw/zinc/97/87/67/342978767.db2.gz UUTBSNFHBOVJLI-NSHDSACASA-N 1 0 161.248 2.420 50 0 in-vitro AEAARO CN(C)c1cccc([C@@H]2CCC[NH2+]2)c1 2582593 342978816 /nfs/dbraw/zinc/97/88/16/342978816.db2.gz ANJCNEGOWWWSNE-LBPRGKRZSA-N 1 0 190.290 2.177 50 0 in-vitro AEAARO Cc1cccc(C[C@@H]2CCC[NH2+]2)c1 2582598 342978818 /nfs/dbraw/zinc/97/88/18/342978818.db2.gz UAEQLPGVHXUHDC-LBPRGKRZSA-N 1 0 175.275 2.290 50 0 in-vitro AEAARO Cc1ccc(C[C@@H]2CCC[NH2+]2)cc1 2582599 342978841 /nfs/dbraw/zinc/97/88/41/342978841.db2.gz GEWCVCGRSMUACB-LBPRGKRZSA-N 1 0 175.275 2.290 50 0 in-vitro AEAARO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH3+])C2 2584378 342979111 /nfs/dbraw/zinc/97/91/11/342979111.db2.gz MDFWXZBEVCOVIO-MRTMQBJTSA-N 1 0 153.269 2.160 50 0 AEAARO Cc1ccc([C@H](C)[NH3+])c(C)c1 2732063 342979661 /nfs/dbraw/zinc/97/96/61/342979661.db2.gz LFJDRMQPKZCUNL-VIFPVBQESA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO C[C@]12Nc3ccccc3[C@@]1(C)CC[NH2+]2 2810139 342980050 /nfs/dbraw/zinc/98/00/50/342980050.db2.gz YRGOWDBYXNBWFD-NEPJUHHUSA-N 1 0 188.274 2.079 50 0 biogenic AEAARO CCc1ccc([C@H](C)[NH3+])cc1 2768243 342980098 /nfs/dbraw/zinc/98/00/98/342980098.db2.gz AMXXYSXDJUIPMZ-QMMMGPOBSA-N 1 0 149.237 2.269 50 0 in-vitro AEAARO CC1=[N+](C)c2ccc(N)cc2C1(C)C 3165005 342981365 /nfs/dbraw/zinc/98/13/65/342981365.db2.gz RHDIRMGBGJQVKJ-UHFFFAOYSA-N 1 0 189.282 2.295 50 0 AEAARO Cc1[nH]c2ccccc2c1CCC[NH3+] 3164660 342981405 /nfs/dbraw/zinc/98/14/05/342981405.db2.gz KTBVYWZVLZVVCF-UHFFFAOYSA-N 1 0 188.274 2.368 50 0 in-vitro AEAARO C[n+]1ccccc1[C@H](F)C(F)(F)F 3167789 342981516 /nfs/dbraw/zinc/98/15/16/342981516.db2.gz BWMPBVLRZHIEKH-ZETCQYMHSA-N 1 0 194.151 2.084 50 0 AEAARO C[C@H]1CCCC[C@H]1NC1=[NH+]CCS1 3259303 342982016 /nfs/dbraw/zinc/98/20/16/342982016.db2.gz AFOLMFKYZXWSRG-DTWKUNHWSA-N 1 0 198.335 2.258 50 0 AEAARO C[C@H]1CCCC[C@@H]1NC1=[NH+]CCS1 3259306 342982032 /nfs/dbraw/zinc/98/20/32/342982032.db2.gz AFOLMFKYZXWSRG-IUCAKERBSA-N 1 0 198.335 2.258 50 0 AEAARO C[C@H]([NH3+])c1ccccc1OC(F)F 3184549 342982067 /nfs/dbraw/zinc/98/20/67/342982067.db2.gz XZXJJKFVKBSRME-LURJTMIESA-N 1 0 187.189 2.308 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cccc(Cl)c1 3389513 342982232 /nfs/dbraw/zinc/98/22/32/342982232.db2.gz DQEYVZASLGNODG-LURJTMIESA-N 1 0 155.628 2.360 50 0 in-vitro AEAARO C[C@H]([NH2+]C1CC1)c1ccccc1 3594061 342982286 /nfs/dbraw/zinc/98/22/86/342982286.db2.gz IYKMJEUFFZDRLS-VIFPVBQESA-N 1 0 161.248 2.500 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1ccc(OC)cc1 3378495 342982302 /nfs/dbraw/zinc/98/23/02/342982302.db2.gz WOEIOKRLEJXFEF-JTQLQIEISA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO Cc1ccc(SCC[NH3+])cc1C 3410434 342982380 /nfs/dbraw/zinc/98/23/80/342982380.db2.gz ZBYSFBBOAZKLLO-UHFFFAOYSA-N 1 0 181.304 2.354 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1ccc(OC)cc1 3378498 342982425 /nfs/dbraw/zinc/98/24/25/342982425.db2.gz WOEIOKRLEJXFEF-SNVBAGLBSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CC[C@H](C[NH3+])c1ccccc1 3621803 342982751 /nfs/dbraw/zinc/98/27/51/342982751.db2.gz PLWALTDUYKDGRF-SECBINFHSA-N 1 0 149.237 2.139 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1ccc2c(c1)CCC2 3651179 342983306 /nfs/dbraw/zinc/98/33/06/342983306.db2.gz QYVNZHBQYJRLEX-VIFPVBQESA-N 1 0 175.275 2.065 50 0 in-vitro AEAARO Cc1ccc([C@@H](O)C[NH2+]C(C)C)cc1 3650738 342983425 /nfs/dbraw/zinc/98/34/25/342983425.db2.gz PFKFCGHAGOLFNW-LBPRGKRZSA-N 1 0 193.290 2.026 50 0 in-vitro AEAARO Cc1ccc(C)c([C@H](C)[NH3+])c1 3705324 342983651 /nfs/dbraw/zinc/98/36/51/342983651.db2.gz ULGHUDXDTMIEAM-VIFPVBQESA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO C[C@H]1C[NH2+][C@H](c2cccc(F)c2)C1 3704346 342983659 /nfs/dbraw/zinc/98/36/59/342983659.db2.gz RIMKUHAYBHYAHQ-KCJUWKMLSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO CCC[N@H+](CCO)C[C@H]1CC=CCC1 3684095 342983664 /nfs/dbraw/zinc/98/36/64/342983664.db2.gz ATFKDGVKKZUFCY-LBPRGKRZSA-N 1 0 197.322 2.047 50 0 AEAARO C[C@H]([NH3+])c1nc2c(s1)CCCC2 3708714 342983710 /nfs/dbraw/zinc/98/37/10/342983710.db2.gz XTHNIXNHWPALKL-LURJTMIESA-N 1 0 182.292 2.042 50 0 in-vitro AEAARO C[C@H]1C[NH2+][C@H](c2ccccc2)C1 3705297 342983722 /nfs/dbraw/zinc/98/37/22/342983722.db2.gz OVCVERGEPCICMG-KOLCDFICSA-N 1 0 161.248 2.357 50 0 in-vitro AEAARO C[C@H]1C[NH2+][C@@H](c2ccccc2F)C1 3704332 342983741 /nfs/dbraw/zinc/98/37/41/342983741.db2.gz HMNRMNSUXLYVTH-LDYMZIIASA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cc2ccccc2o1 3705342 342983742 /nfs/dbraw/zinc/98/37/42/342983742.db2.gz KJCGVGWCEJJQSW-ZETCQYMHSA-N 1 0 161.204 2.453 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)[NH3+])s1 3705309 342983750 /nfs/dbraw/zinc/98/37/50/342983750.db2.gz CODYMUAFGSPBNA-ZCFIWIBFSA-N 1 0 141.239 2.076 50 0 in-vitro AEAARO Cc1cc([C@@H](C)[NH3+])c(C)s1 3705315 342983754 /nfs/dbraw/zinc/98/37/54/342983754.db2.gz FCVVALGYYCPMEM-ZCFIWIBFSA-N 1 0 155.266 2.385 50 0 in-vitro AEAARO C[C@H]1C[NH2+][C@@H](c2ccccc2)C1 3705299 342983840 /nfs/dbraw/zinc/98/38/40/342983840.db2.gz OVCVERGEPCICMG-MWLCHTKSSA-N 1 0 161.248 2.357 50 0 in-vitro AEAARO Cc1ccc([C@H](C)[NH3+])s1 3705310 342983845 /nfs/dbraw/zinc/98/38/45/342983845.db2.gz CODYMUAFGSPBNA-LURJTMIESA-N 1 0 141.239 2.076 50 0 in-vitro AEAARO C[C@H]1CC[NH2+][C@H]1c1ccccc1 3733550 342984018 /nfs/dbraw/zinc/98/40/18/342984018.db2.gz CWOJBVGDNJVMNZ-GXSJLCMTSA-N 1 0 161.248 2.357 50 0 AEAARO Cc1ccc([C@H]2CCC[NH2+]2)s1 3732469 342984028 /nfs/dbraw/zinc/98/40/28/342984028.db2.gz WBJASOWBXMIUHI-MRVPVSSYSA-N 1 0 167.277 2.481 50 0 in-vitro AEAARO C[C@H]1CC[NH2+][C@@H]1c1ccccc1 3733552 342984054 /nfs/dbraw/zinc/98/40/54/342984054.db2.gz CWOJBVGDNJVMNZ-ONGXEEELSA-N 1 0 161.248 2.357 50 0 AEAARO CCC(CC)[C@@H]1CCC[NH2+]1 3732336 342984066 /nfs/dbraw/zinc/98/40/66/342984066.db2.gz GLHTWPIDDBBSRT-VIFPVBQESA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO Cc1ccc(C[C@H]2CCC[NH2+]2)cc1 3732330 342984070 /nfs/dbraw/zinc/98/40/70/342984070.db2.gz GEWCVCGRSMUACB-GFCCVEGCSA-N 1 0 175.275 2.290 50 0 in-vitro AEAARO Cc1cccc([C@H]2CCC[NH2+]2)c1 3732261 342984141 /nfs/dbraw/zinc/98/41/41/342984141.db2.gz UUTBSNFHBOVJLI-LLVKDONJSA-N 1 0 161.248 2.420 50 0 in-vitro AEAARO CN(C)c1cccc([C@H]2CCC[NH2+]2)c1 3732290 342984144 /nfs/dbraw/zinc/98/41/44/342984144.db2.gz ANJCNEGOWWWSNE-GFCCVEGCSA-N 1 0 190.290 2.177 50 0 in-vitro AEAARO C[C@H]([NH3+])c1nc(C(C)(C)C)cs1 3709136 342984184 /nfs/dbraw/zinc/98/41/84/342984184.db2.gz FLWXMRRARGBNSW-LURJTMIESA-N 1 0 184.308 2.460 50 0 in-vitro AEAARO Cc1ccc([C@H]2CCC[NH2+]2)cc1 3732270 342984191 /nfs/dbraw/zinc/98/41/91/342984191.db2.gz TXFISDWSKUHPET-LLVKDONJSA-N 1 0 161.248 2.420 50 0 in-vitro AEAARO CCC(CC)[C@H]1CCC[NH2+]1 3732335 342984217 /nfs/dbraw/zinc/98/42/17/342984217.db2.gz GLHTWPIDDBBSRT-SECBINFHSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC1(C)C[C@H]2C[C@](C)(C[NH2+]2)C1 3958325 342986505 /nfs/dbraw/zinc/98/65/05/342986505.db2.gz FRAKHUZTNLUGPB-WPRPVWTQSA-N 1 0 153.269 2.175 50 0 AEAARO CC1(C)C[C@@H]2C[C@@](C)(C[NH2+]2)C1 3958327 342986742 /nfs/dbraw/zinc/98/67/42/342986742.db2.gz FRAKHUZTNLUGPB-PSASIEDQSA-N 1 0 153.269 2.175 50 0 AEAARO Cc1cccc(-n2cccc2)c1C[NH3+] 4054816 342987010 /nfs/dbraw/zinc/98/70/10/342987010.db2.gz FPWKUNWXKUOZBP-UHFFFAOYSA-N 1 0 186.258 2.244 50 0 AEAARO Cc1ccc(C)c([C@H](C)C[NH3+])c1 4206565 342988339 /nfs/dbraw/zinc/98/83/39/342988339.db2.gz MXMUUCHDVKEPLH-SNVBAGLBSA-N 1 0 163.264 2.366 50 0 AEAARO CC(C)[C@@H]([NH3+])c1cccs1 4207302 342988395 /nfs/dbraw/zinc/98/83/95/342988395.db2.gz VJVICAYVXMSTAM-MRVPVSSYSA-N 1 0 155.266 2.404 50 0 in-vitro AEAARO CC(C)[C@H]([NH3+])c1ccc(F)cc1 4207406 342988413 /nfs/dbraw/zinc/98/84/13/342988413.db2.gz DKHSXWXHXFRKON-JTQLQIEISA-N 1 0 167.227 2.482 50 0 in-vitro AEAARO Cc1ccc(CSCC[NH3+])cc1 4206146 342988428 /nfs/dbraw/zinc/98/84/28/342988428.db2.gz LGOBOBXQLWNEPW-UHFFFAOYSA-N 1 0 181.304 2.187 50 0 in-vitro AEAARO Cc1ccc(C)c([C@@H](C)C[NH3+])c1 4206564 342988441 /nfs/dbraw/zinc/98/84/41/342988441.db2.gz MXMUUCHDVKEPLH-JTQLQIEISA-N 1 0 163.264 2.366 50 0 AEAARO Cc1cccc(CSC(N)=[NH2+])c1 4205009 342988466 /nfs/dbraw/zinc/98/84/66/342988466.db2.gz XMHABLGHQHBPRC-UHFFFAOYSA-N 1 0 180.276 2.122 50 0 in-vitro AEAARO CC(C)[C@@H]([NH3+])c1ccccc1 4207403 342988495 /nfs/dbraw/zinc/98/84/95/342988495.db2.gz UVXXBSCXKKIBCH-SNVBAGLBSA-N 1 0 149.237 2.342 50 0 in-vitro AEAARO Cc1ccc(CCC[NH3+])c(C)c1 4206803 342988525 /nfs/dbraw/zinc/98/85/25/342988525.db2.gz VSZZXNDMAVSNDT-UHFFFAOYSA-N 1 0 163.264 2.195 50 0 in-vitro AEAARO CC(C)[C@@H]([NH3+])c1ccc(F)cc1 4207408 342988561 /nfs/dbraw/zinc/98/85/61/342988561.db2.gz DKHSXWXHXFRKON-SNVBAGLBSA-N 1 0 167.227 2.482 50 0 in-vitro AEAARO CC[N+]1=C(C)S[C@H]2C=CC=C[C@@H]21 4211575 342988566 /nfs/dbraw/zinc/98/85/66/342988566.db2.gz MPBBVXQANLXLCB-UWVGGRQHSA-N 1 0 180.296 2.047 50 0 AEAARO CCC[NH2+]Cc1ccc(C)cc1 4205043 342988592 /nfs/dbraw/zinc/98/85/92/342988592.db2.gz KEPDRVSVMRMGCR-UHFFFAOYSA-N 1 0 163.264 2.495 50 0 in-vitro AEAARO CC[N+]1=C(C)S[C@H]2C=CC=C[C@H]21 4211578 342988660 /nfs/dbraw/zinc/98/86/60/342988660.db2.gz MPBBVXQANLXLCB-ZJUUUORDSA-N 1 0 180.296 2.047 50 0 AEAARO Cc1cc(C)c(C)c(OCCC[NH3+])c1 4206328 342988728 /nfs/dbraw/zinc/98/87/28/342988728.db2.gz YLBULYDKNCXXNR-UHFFFAOYSA-N 1 0 193.290 2.339 50 0 in-vitro AEAARO CC[C@H]1[NH2+]CCc2sccc21 4218407 342988781 /nfs/dbraw/zinc/98/87/81/342988781.db2.gz URYVPKBHQRLGHP-MRVPVSSYSA-N 1 0 167.277 2.345 50 0 in-vitro AEAARO CC[C@@H]1[NH2+]CCc2sccc21 4218408 342988796 /nfs/dbraw/zinc/98/87/96/342988796.db2.gz URYVPKBHQRLGHP-QMMMGPOBSA-N 1 0 167.277 2.345 50 0 in-vitro AEAARO C[NH2+]CC12CC3CC(CC(C3)C1)C2 4218881 342988881 /nfs/dbraw/zinc/98/88/81/342988881.db2.gz DQSIEXZABIATEF-UHFFFAOYSA-N 1 0 179.307 2.422 50 0 in-vitro AEAARO Cc1cc(OCC[NH3+])cc(C)c1Cl 4227460 342988883 /nfs/dbraw/zinc/98/88/83/342988883.db2.gz CTBYKMRXNNDNGF-UHFFFAOYSA-N 1 0 199.681 2.294 50 0 in-vitro AEAARO C[C@H]1CC[NH2+][C@@H](c2cccn2C)CC1 4218644 342988920 /nfs/dbraw/zinc/98/89/20/342988920.db2.gz PBOFPZWAILWPJL-GHMZBOCLSA-N 1 0 192.306 2.476 50 0 in-vitro AEAARO CC(C)c1ccc(OCC[NH3+])cc1 4227443 342989059 /nfs/dbraw/zinc/98/90/59/342989059.db2.gz KVKDLNXBRZGHPE-UHFFFAOYSA-N 1 0 179.263 2.148 50 0 in-vitro AEAARO Cc1nc(-c2ccc(C[NH3+])o2)cs1 4219162 342989076 /nfs/dbraw/zinc/98/90/76/342989076.db2.gz KYUQAHJPQLLHQR-UHFFFAOYSA-N 1 0 194.259 2.170 50 0 in-vitro AEAARO C[C@H]1CC[NH2+][C@H](c2cccn2C)CC1 4218646 342989118 /nfs/dbraw/zinc/98/91/18/342989118.db2.gz PBOFPZWAILWPJL-MNOVXSKESA-N 1 0 192.306 2.476 50 0 in-vitro AEAARO CC(C)c1[nH+]c2cc(N)ccc2n1C 4243976 342989384 /nfs/dbraw/zinc/98/93/84/342989384.db2.gz SBFCHWRTCNHSDV-UHFFFAOYSA-N 1 0 189.262 2.279 50 0 AEAARO Cc1ccc([C@@H]2CCCC[NH2+]2)o1 4234860 342989453 /nfs/dbraw/zinc/98/94/53/342989453.db2.gz PAHYJZIMPANAIV-VIFPVBQESA-N 1 0 165.236 2.403 50 0 endogenous,in-man AEAARO Cc1cccnc1C[C@H]1CCCC[NH2+]1 4234845 342989459 /nfs/dbraw/zinc/98/94/59/342989459.db2.gz VOYJHTZESOYWER-LLVKDONJSA-N 1 0 190.290 2.075 50 0 AEAARO Cc1ccc([C@H]2CCC[NH2+]2)o1 4234801 342989470 /nfs/dbraw/zinc/98/94/70/342989470.db2.gz LGGXPKQFJZIICN-MRVPVSSYSA-N 1 0 151.209 2.013 50 0 endogenous,in-man AEAARO Cc1ccc([C@H]2CCCC[NH2+]2)o1 4234861 342989483 /nfs/dbraw/zinc/98/94/83/342989483.db2.gz PAHYJZIMPANAIV-SECBINFHSA-N 1 0 165.236 2.403 50 0 endogenous,in-man AEAARO Cc1ccc([C@@H]2CCC[NH2+]2)o1 4234800 342989564 /nfs/dbraw/zinc/98/95/64/342989564.db2.gz LGGXPKQFJZIICN-QMMMGPOBSA-N 1 0 151.209 2.013 50 0 endogenous,in-man AEAARO CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1[NH3+] 4293783 342990043 /nfs/dbraw/zinc/99/00/43/342990043.db2.gz CBYXIIFIKSBHEY-OYNCUSHFSA-N 1 0 153.269 2.160 50 0 AEAARO C[C@H]1C[C@@H](C)[NH2+]C(C)(C)C1 4416550 342991933 /nfs/dbraw/zinc/99/19/33/342991933.db2.gz NGBCPOUXXDBLMT-JGVFFNPUSA-N 1 0 141.258 2.173 50 0 AEAARO C[C@H]1C[C@H](C)[NH2+]C(C)(C)C1 4416548 342991988 /nfs/dbraw/zinc/99/19/88/342991988.db2.gz NGBCPOUXXDBLMT-YUMQZZPRSA-N 1 0 141.258 2.173 50 0 AEAARO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH3+] 4481665 342992025 /nfs/dbraw/zinc/99/20/25/342992025.db2.gz RBMUAGDCCJDQLE-AEJSXWLSSA-N 1 0 155.285 2.406 50 0 AEAARO CC[C@H]([NH3+])c1ccc(F)cc1 4503372 342992398 /nfs/dbraw/zinc/99/23/98/342992398.db2.gz BWZFVQWUKNCKQL-VIFPVBQESA-N 1 0 153.200 2.236 50 0 in-vitro AEAARO C[C@H]([NH3+])COc1ccc(Cl)cc1 4511152 342992468 /nfs/dbraw/zinc/99/24/68/342992468.db2.gz ABUVVMITUVCSDX-ZETCQYMHSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO C[NH2+]C12CC3CC(CC(C3)C1)C2 4554358 342992598 /nfs/dbraw/zinc/99/25/98/342992598.db2.gz NZOLSRPWNVZXTK-UHFFFAOYSA-N 1 0 165.280 2.175 50 0 in-vitro AEAARO CCCC[NH2+][C@H](C)CC 4529468 342992758 /nfs/dbraw/zinc/99/27/58/342992758.db2.gz MWZXRLJDNKCYOQ-MRVPVSSYSA-N 1 0 129.247 2.175 50 0 AEAARO CN(C)c1ccc([N+]#N)cc1 4558799 342993133 /nfs/dbraw/zinc/99/31/33/342993133.db2.gz MOXBCYIWIODTKI-UHFFFAOYSA-N 1 0 148.189 2.237 50 0 in-vitro AEAARO CCCC[C@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C 4611544 342993610 /nfs/dbraw/zinc/99/36/10/342993610.db2.gz PPZFTLDTFSBLGL-TUAOUCFPSA-N 1 0 199.338 2.268 50 0 AEAARO CCC[NH2+]C1CCCCC1 4699802 342994256 /nfs/dbraw/zinc/99/42/56/342994256.db2.gz PXKCSKRXWAZGFK-UHFFFAOYSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO C[NH+](C)[C@@H]1CCc2ccccc2C1 4721150 342994616 /nfs/dbraw/zinc/99/46/16/342994616.db2.gz WGCDXGZYCIMFTN-GFCCVEGCSA-N 1 0 175.275 2.106 50 0 AEAARO CCCCCc1cc[nH+]c(N)c1 4716427 342994712 /nfs/dbraw/zinc/99/47/12/342994712.db2.gz OBUPQUOZQOFTMF-UHFFFAOYSA-N 1 0 164.252 2.397 50 0 AEAARO Cc1cc(C)cc(OC[C@H](C)[NH3+])c1 4779406 342995392 /nfs/dbraw/zinc/99/53/92/342995392.db2.gz DPLCQNGJZJXXPM-JTQLQIEISA-N 1 0 179.263 2.029 50 0 in-vitro AEAARO C[NH2+]C1CCCCCCC1 4792797 342995845 /nfs/dbraw/zinc/99/58/45/342995845.db2.gz KSWJKWKZMNCDJF-UHFFFAOYSA-N 1 0 141.258 2.319 50 0 in-vitro AEAARO C[NH+](C)[C@H]1CCC=CCCC1 4829987 342996107 /nfs/dbraw/zinc/99/61/07/342996107.db2.gz BRRJALXGYRSYAI-JTQLQIEISA-N 1 0 153.269 2.437 50 0 AEAARO Cc1cccc2c3c([nH]c12)CC[NH2+]C3 4954502 342996959 /nfs/dbraw/zinc/99/69/59/342996959.db2.gz SEIGTDMBJJWKGU-UHFFFAOYSA-N 1 0 186.258 2.122 50 0 biogenic,in-vitro AEAARO Cc1ccc2n1CC[NH2+][C@H]2C(C)C 4992742 342997727 /nfs/dbraw/zinc/99/77/27/342997727.db2.gz SNNKJLGBMUIAOX-NSHDSACASA-N 1 0 178.279 2.097 50 0 in-vitro AEAARO CC(C)Oc1ccc([C@@H](C)[NH3+])cc1 4992623 342997782 /nfs/dbraw/zinc/99/77/82/342997782.db2.gz QDLPHPPYMUBDRB-SECBINFHSA-N 1 0 179.263 2.494 50 0 in-vitro AEAARO C[C@H]([NH3+])CCc1ccc(F)cc1 4997816 342997812 /nfs/dbraw/zinc/99/78/12/342997812.db2.gz LRNPPJJSSVMFNU-QMMMGPOBSA-N 1 0 167.227 2.106 50 0 AEAARO CC(C)Oc1ccc([C@H](C)[NH3+])cc1 4992624 342997946 /nfs/dbraw/zinc/99/79/46/342997946.db2.gz QDLPHPPYMUBDRB-VIFPVBQESA-N 1 0 179.263 2.494 50 0 in-vitro AEAARO Cc1ccc2n1CC[NH2+][C@@H]2C(C)C 4992741 342997963 /nfs/dbraw/zinc/99/79/63/342997963.db2.gz SNNKJLGBMUIAOX-LLVKDONJSA-N 1 0 178.279 2.097 50 0 in-vitro AEAARO CC(C)[C@H](CC[NH3+])c1ccco1 5111955 342998570 /nfs/dbraw/zinc/99/85/70/342998570.db2.gz GAISSHFBVMJEFZ-VIFPVBQESA-N 1 0 167.252 2.368 50 0 AEAARO CC(C)[C@@H](CC[NH3+])c1ccco1 5111953 342998715 /nfs/dbraw/zinc/99/87/15/342998715.db2.gz GAISSHFBVMJEFZ-SECBINFHSA-N 1 0 167.252 2.368 50 0 AEAARO C[NH+](C)CCCC(=O)c1ccccc1 5165878 342999427 /nfs/dbraw/zinc/99/94/27/342999427.db2.gz BGDALPKATCCTCQ-UHFFFAOYSA-N 1 0 191.274 2.211 50 0 AEAARO CC(C)[C@H]1CC[C@H](C)CC[NH2+]1 5179816 342999504 /nfs/dbraw/zinc/99/95/04/342999504.db2.gz SYLDGZKLJZOUTQ-VHSXEESVSA-N 1 0 155.285 2.421 50 0 in-vitro AEAARO CC(C)[C@@H]1CC[C@@H](C)CC[NH2+]1 5179817 342999593 /nfs/dbraw/zinc/99/95/93/342999593.db2.gz SYLDGZKLJZOUTQ-ZJUUUORDSA-N 1 0 155.285 2.421 50 0 in-vitro AEAARO CCC[NH2+]P(OCC)OCC 5298669 343000715 /nfs/dbraw/zinc/00/07/15/343000715.db2.gz LNVCGVNWKAHWJV-UHFFFAOYSA-N 1 0 179.200 2.286 50 0 AEAARO CCCC[NH2+]Cc1ccc(C)o1 5309270 343001007 /nfs/dbraw/zinc/00/10/07/343001007.db2.gz PUFZNUWUSWSNDA-UHFFFAOYSA-N 1 0 167.252 2.478 50 0 AEAARO Cc1[nH]c2c(C)c(O)c(C)cc2[nH+]1 5401884 343002319 /nfs/dbraw/zinc/00/23/19/343002319.db2.gz YWRGTBMBSBRLRH-UHFFFAOYSA-N 1 0 176.219 2.194 50 0 AEAARO C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 5699435 343006651 /nfs/dbraw/zinc/00/66/51/343006651.db2.gz AAARTTJTRNAYHQ-UWVGGRQHSA-N 1 0 153.269 2.271 50 0 AEAARO C[C@H]([NH3+])c1ccc2[nH]ccc2c1 5721758 343007080 /nfs/dbraw/zinc/00/70/80/343007080.db2.gz IRGHGODKKCDIFK-ZETCQYMHSA-N 1 0 160.220 2.188 50 0 biogenic,in-vitro AEAARO C[C@]1(c2ccccc2)CCC[NH2+]C1 5736225 343007159 /nfs/dbraw/zinc/00/71/59/343007159.db2.gz JMPNCLOLPRVYKK-LBPRGKRZSA-N 1 0 175.275 2.328 50 0 in-vitro AEAARO Cc1ccc2[nH+]c(C)cc(N)c2c1 5747569 343007580 /nfs/dbraw/zinc/00/75/80/343007580.db2.gz QWIFPURWTSVNGN-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO C[C@@]1(c2ccccc2)CCC[NH2+]C1 5764280 343007963 /nfs/dbraw/zinc/00/79/63/343007963.db2.gz JMPNCLOLPRVYKK-GFCCVEGCSA-N 1 0 175.275 2.328 50 0 in-vitro AEAARO C[NH+](C)CC1CCCCC1 5957467 343010547 /nfs/dbraw/zinc/01/05/47/343010547.db2.gz MNKFLCYZIHOFRQ-UHFFFAOYSA-N 1 0 141.258 2.128 50 0 in-vitro AEAARO C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 5966484 343010934 /nfs/dbraw/zinc/01/09/34/343010934.db2.gz AAARTTJTRNAYHQ-VHSXEESVSA-N 1 0 153.269 2.271 50 0 AEAARO CCC(CC)C1CC[NH2+]CC1 5964845 343010944 /nfs/dbraw/zinc/01/09/44/343010944.db2.gz JXKWWRSXIDJLPY-UHFFFAOYSA-N 1 0 155.285 2.422 50 0 AEAARO C[C@H]([NH3+])Cc1ccccc1Cl 6021067 343011125 /nfs/dbraw/zinc/01/11/25/343011125.db2.gz IQHHOHJDIZRBGM-ZETCQYMHSA-N 1 0 169.655 2.230 50 0 in-vitro AEAARO C[C@H]([NH3+])/C=C/c1ccccc1 6019956 343011127 /nfs/dbraw/zinc/01/11/27/343011127.db2.gz QPVUUOXSCVQZQG-FLOXNTQESA-N 1 0 147.221 2.047 50 0 AEAARO CC[C@@H]([NH3+])c1ccccc1F 8698373 343019678 /nfs/dbraw/zinc/01/96/78/343019678.db2.gz CQTLDYYIWIOAAV-SECBINFHSA-N 1 0 153.200 2.236 50 0 in-vitro AEAARO C[C@H]1CC[NH2+]CC(C)(C)C1 6037602 343011925 /nfs/dbraw/zinc/01/19/25/343011925.db2.gz YBRAVTNTXVZNMD-QMMMGPOBSA-N 1 0 141.258 2.032 50 0 AEAARO Cc1ccc(CC(C)(C)[NH3+])cc1 6070845 343012396 /nfs/dbraw/zinc/01/23/96/343012396.db2.gz CJOGAVGURHPLOJ-UHFFFAOYSA-N 1 0 163.264 2.275 50 0 in-vitro AEAARO C[C@H]1C(=[NH2+])N(C)c2ccccc21 6235564 343013115 /nfs/dbraw/zinc/01/31/15/343013115.db2.gz MUPWCFPEZUOVFP-SSDOTTSWSA-N 1 0 160.220 2.217 50 0 AEAARO C[NH+](C)Cc1ccc(O)c(Cl)c1 6226481 343013127 /nfs/dbraw/zinc/01/31/27/343013127.db2.gz RQTXMJKREXXVNP-UHFFFAOYSA-N 1 0 185.654 2.107 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccc(OC)cc1 6380486 343014146 /nfs/dbraw/zinc/01/41/46/343014146.db2.gz NCOFJPJEQIGDEV-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 AEAARO Cc1ncccc1[C@@H]1CCC[N@H+]1C 6389835 343014349 /nfs/dbraw/zinc/01/43/49/343014349.db2.gz VNCAJINVSUVLQL-NSHDSACASA-N 1 0 176.263 2.157 50 0 in-vitro AEAARO Cc1c[nH+]c2ccccc2c1N 6557114 343015013 /nfs/dbraw/zinc/01/50/13/343015013.db2.gz LHHFYJQGCWEYNA-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 in-vitro AEAARO C[C@H]1Cc2cc([C@H](C)[NH3+])ccc2O1 6525784 343015226 /nfs/dbraw/zinc/01/52/26/343015226.db2.gz CVNWHOLBLSNSPO-YUMQZZPRSA-N 1 0 177.247 2.030 50 0 in-vitro AEAARO Cc1cccc(NC[C@@H]2CCC[NH2+]2)c1 6658189 343015504 /nfs/dbraw/zinc/01/55/04/343015504.db2.gz LOASAKNWORVZHX-LBPRGKRZSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1ccc(NC[C@@H]2CCC[NH2+]2)cc1 6658191 343015586 /nfs/dbraw/zinc/01/55/86/343015586.db2.gz NCFACXDXEKYAOF-LBPRGKRZSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1ccc(NC[C@H]2CCC[NH2+]2)cc1 6658192 343015633 /nfs/dbraw/zinc/01/56/33/343015633.db2.gz NCFACXDXEKYAOF-GFCCVEGCSA-N 1 0 190.290 2.159 50 0 in-vitro AEAARO Cc1ccc([C@@H]([NH3+])c2cccnc2)cc1 6677931 343015889 /nfs/dbraw/zinc/01/58/89/343015889.db2.gz AKNMQRAKXSIYTE-CYBMUJFWSA-N 1 0 198.269 2.438 50 0 AEAARO CCc1[nH+]c2cc(N)ccc2n1CC 6678478 343015970 /nfs/dbraw/zinc/01/59/70/343015970.db2.gz MJDXJHDSARIXRY-UHFFFAOYSA-N 1 0 189.262 2.201 50 0 AEAARO Cc1cccc2c(C[C@@H](C)[NH3+])c[nH]c12 6679765 343016005 /nfs/dbraw/zinc/01/60/05/343016005.db2.gz ISJMGGZLKGIAFX-SECBINFHSA-N 1 0 188.274 2.366 50 0 AEAARO C[NH2+]CCCOc1ccccc1Cl 6681871 343016046 /nfs/dbraw/zinc/01/60/46/343016046.db2.gz YSRGMQHOVYBDLM-UHFFFAOYSA-N 1 0 199.681 2.328 50 0 in-vitro AEAARO Cc1cncc([C@@H]2CCC[N@H+]2C)c1 6792927 343016376 /nfs/dbraw/zinc/01/63/76/343016376.db2.gz WPPLPODBERCBRQ-NSHDSACASA-N 1 0 176.263 2.157 50 0 in-vitro AEAARO Cc1cncc([C@H]2CCC[N@H+]2C)c1 6792930 343016524 /nfs/dbraw/zinc/01/65/24/343016524.db2.gz WPPLPODBERCBRQ-LLVKDONJSA-N 1 0 176.263 2.157 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccsc1 7262419 343017085 /nfs/dbraw/zinc/01/70/85/343017085.db2.gz MZIXPNLTNGCJTB-UHFFFAOYSA-N 1 0 155.266 2.248 50 0 in-vitro AEAARO CCC[NH2+]Cc1cccc(OC)c1 7262398 343017090 /nfs/dbraw/zinc/01/70/90/343017090.db2.gz UDBXJQKNGYJALH-UHFFFAOYSA-N 1 0 179.263 2.195 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccccc1C 7262410 343017092 /nfs/dbraw/zinc/01/70/92/343017092.db2.gz FTQVVVUFLSQTNK-UHFFFAOYSA-N 1 0 163.264 2.495 50 0 in-vitro AEAARO CCC[NH2+]Cc1ccccc1F 7262412 343017184 /nfs/dbraw/zinc/01/71/84/343017184.db2.gz XEAVZYYMEPYGIA-UHFFFAOYSA-N 1 0 167.227 2.325 50 0 in-vitro AEAARO CCC[NH2+]Cc1cccs1 7262418 343017278 /nfs/dbraw/zinc/01/72/78/343017278.db2.gz TYJDQRACYFTARL-UHFFFAOYSA-N 1 0 155.266 2.248 50 0 in-vitro AEAARO C[NH2+]CCCC1CCCC1 8205016 343017848 /nfs/dbraw/zinc/01/78/48/343017848.db2.gz XQXPWKNEZKBRNQ-UHFFFAOYSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CC[C@H](C)[NH2+]Cc1ccco1 8326798 343018150 /nfs/dbraw/zinc/01/81/50/343018150.db2.gz ARIPWNULFVPJQJ-QMMMGPOBSA-N 1 0 153.225 2.168 50 0 AEAARO Cc1ccc(C[NH2+]C2CC2)cc1 8550077 343018482 /nfs/dbraw/zinc/01/84/82/343018482.db2.gz JRPNBGMYKFLJGJ-UHFFFAOYSA-N 1 0 161.248 2.247 50 0 in-vitro AEAARO Cc1cc(N)c2cc(F)ccc2[nH+]1 8549018 343018716 /nfs/dbraw/zinc/01/87/16/343018716.db2.gz PTJKTKQKAHCGDF-UHFFFAOYSA-N 1 0 176.194 2.265 50 0 in-vitro AEAARO C[C@H](C[NH3+])c1c[nH]c2cc(F)ccc12 8619195 343018954 /nfs/dbraw/zinc/01/89/54/343018954.db2.gz KJGOEBPCOOEHSG-SSDOTTSWSA-N 1 0 192.237 2.369 50 0 in-vitro AEAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH3+] 8602880 343019161 /nfs/dbraw/zinc/01/91/61/343019161.db2.gz RBMUAGDCCJDQLE-BBBLOLIVSA-N 1 0 155.285 2.406 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1cccc(F)c1 8698378 343019461 /nfs/dbraw/zinc/01/94/61/343019461.db2.gz LJVGBCCRQCRIJS-VIFPVBQESA-N 1 0 153.200 2.236 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1cccc(F)c1 8698379 343019463 /nfs/dbraw/zinc/01/94/63/343019463.db2.gz LJVGBCCRQCRIJS-SECBINFHSA-N 1 0 153.200 2.236 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1cc(F)cc(F)c1 8698410 343019550 /nfs/dbraw/zinc/01/95/50/343019550.db2.gz PFFDHDIEJYLKMD-VIFPVBQESA-N 1 0 171.190 2.375 50 0 AEAARO CC[C@H]([NH3+])c1ccccc1F 8698372 343019565 /nfs/dbraw/zinc/01/95/65/343019565.db2.gz CQTLDYYIWIOAAV-VIFPVBQESA-N 1 0 153.200 2.236 50 0 in-vitro AEAARO Cc1cccc(CSCC[NH3+])c1 8730095 343020647 /nfs/dbraw/zinc/02/06/47/343020647.db2.gz NONUMUOTESFVET-UHFFFAOYSA-N 1 0 181.304 2.187 50 0 in-vitro AEAARO Cc1ccc(CC2([NH3+])CC2)cc1 8737728 343020820 /nfs/dbraw/zinc/02/08/20/343020820.db2.gz WXLBBEOVYBPBGW-UHFFFAOYSA-N 1 0 161.248 2.029 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1ccc(OC)c(C)c1 9245924 343021088 /nfs/dbraw/zinc/02/10/88/343021088.db2.gz MECIQEXMKYMTBM-JTQLQIEISA-N 1 0 179.263 2.413 50 0 AEAARO CC[C@@H]([NH3+])c1ccc(OC)c(OC)c1 9245939 343021125 /nfs/dbraw/zinc/02/11/25/343021125.db2.gz GOYNRRVQKKZYOW-SECBINFHSA-N 1 0 195.262 2.114 50 0 AEAARO CCn1c(C[NH3+])cc2cc(C)ccc21 9239722 343021316 /nfs/dbraw/zinc/02/13/16/343021316.db2.gz WUVXKQOMTAMZJE-UHFFFAOYSA-N 1 0 188.274 2.428 50 0 AEAARO Cc1ccc(CC[C@@H](C)[NH3+])cc1 9280624 343021460 /nfs/dbraw/zinc/02/14/60/343021460.db2.gz IOXFPJGJBFBIRQ-SNVBAGLBSA-N 1 0 163.264 2.275 50 0 AEAARO Cc1ccc(CC[C@H](C)[NH3+])cc1 9280625 343021490 /nfs/dbraw/zinc/02/14/90/343021490.db2.gz IOXFPJGJBFBIRQ-JTQLQIEISA-N 1 0 163.264 2.275 50 0 AEAARO CCn1cc(C[NH3+])c2ccccc21 9280161 343021753 /nfs/dbraw/zinc/02/17/53/343021753.db2.gz SPDDNLHZSJKVJQ-UHFFFAOYSA-N 1 0 174.247 2.120 50 0 AEAARO CC(C)[NH2+]Cc1ccccc1F 10436209 343021979 /nfs/dbraw/zinc/02/19/79/343021979.db2.gz KECOIFWUUTVTTN-UHFFFAOYSA-N 1 0 167.227 2.324 50 0 in-vitro AEAARO Cc1ccc(O[C@H](C)C[NH3+])cc1C 10154891 343022022 /nfs/dbraw/zinc/02/20/22/343022022.db2.gz UHWNETBQPWKEAG-SNVBAGLBSA-N 1 0 179.263 2.029 50 0 in-vitro AEAARO Cc1ccc(C[NH2+]C(C)C)cc1 10435770 343022066 /nfs/dbraw/zinc/02/20/66/343022066.db2.gz OOCHMURHBNXLEJ-UHFFFAOYSA-N 1 0 163.264 2.493 50 0 in-vitro AEAARO C[C@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 11567886 343022487 /nfs/dbraw/zinc/02/24/87/343022487.db2.gz CJBPHHBATSLCHJ-YFKPBYRVSA-N 1 0 195.653 2.236 50 0 AEAARO Cc1cccc(OCCC[NH3+])c1C 11569596 343022515 /nfs/dbraw/zinc/02/25/15/343022515.db2.gz AAIIDHUSMCSYGT-UHFFFAOYSA-N 1 0 179.263 2.031 50 0 in-vitro AEAARO Cc1cccc(C)c1OCCC[NH3+] 11569594 343022562 /nfs/dbraw/zinc/02/25/62/343022562.db2.gz OYDZSDUFRFAFNI-UHFFFAOYSA-N 1 0 179.263 2.031 50 0 in-vitro AEAARO CC[C@@H]1[NH2+]CCc2cc(OC)ccc21 11598195 343022844 /nfs/dbraw/zinc/02/28/44/343022844.db2.gz NKIYISHHCOUABG-LBPRGKRZSA-N 1 0 191.274 2.292 50 0 AEAARO CC[C@H]1[NH2+]CCc2cc(OC)ccc21 11598197 343022908 /nfs/dbraw/zinc/02/29/08/343022908.db2.gz NKIYISHHCOUABG-GFCCVEGCSA-N 1 0 191.274 2.292 50 0 AEAARO Cc1csc([C@@H]([NH3+])CC(C)C)n1 11631840 343023395 /nfs/dbraw/zinc/02/33/95/343023395.db2.gz TWPQNUCUVNAICC-QMMMGPOBSA-N 1 0 184.308 2.497 50 0 AEAARO CCc1csc([C@@H]2CCC[NH2+]C2)n1 11632021 343023486 /nfs/dbraw/zinc/02/34/86/343023486.db2.gz SWUGCEILUDUOHI-MRVPVSSYSA-N 1 0 196.319 2.173 50 0 in-vitro AEAARO Cc1nc([C@H]2CCC[NH2+]C2)sc1C 11632020 343023592 /nfs/dbraw/zinc/02/35/92/343023592.db2.gz PWMLYPKAABAYEF-VIFPVBQESA-N 1 0 196.319 2.227 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2 11729954 343024042 /nfs/dbraw/zinc/02/40/42/343024042.db2.gz ZZHKIYFEXZSVMA-LDYMZIIASA-N 1 0 191.274 2.420 50 0 AEAARO CC[C@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2 11729955 343024124 /nfs/dbraw/zinc/02/41/24/343024124.db2.gz ZZHKIYFEXZSVMA-KCJUWKMLSA-N 1 0 191.274 2.420 50 0 AEAARO CC[C@@H]([NH2+]C)c1cccc(OC)c1 11757523 343024418 /nfs/dbraw/zinc/02/44/18/343024418.db2.gz HMKCUQZSTHVKEN-LLVKDONJSA-N 1 0 179.263 2.366 50 0 in-vitro AEAARO CC[C@H]([NH2+]C)c1cccc(OC)c1 11757524 343024500 /nfs/dbraw/zinc/02/45/00/343024500.db2.gz HMKCUQZSTHVKEN-NSHDSACASA-N 1 0 179.263 2.366 50 0 in-vitro AEAARO CC[C@H]([NH2+]C)c1ccc(F)cc1 11757538 343024570 /nfs/dbraw/zinc/02/45/70/343024570.db2.gz SORDPUKBFPOPMY-JTQLQIEISA-N 1 0 167.227 2.496 50 0 in-vitro AEAARO CC1(C)C[C@@H]([NH3+])c2ccccc2O1 11770425 343024615 /nfs/dbraw/zinc/02/46/15/343024615.db2.gz YSTIIIRGSQEQNH-SECBINFHSA-N 1 0 177.247 2.248 50 0 in-vitro AEAARO CC1(C)C[C@H]([NH3+])c2ccccc2O1 11770432 343024676 /nfs/dbraw/zinc/02/46/76/343024676.db2.gz YSTIIIRGSQEQNH-VIFPVBQESA-N 1 0 177.247 2.248 50 0 in-vitro AEAARO CC(C)[NH+]1CCCCCC1 15920518 343043268 /nfs/dbraw/zinc/04/32/68/343043268.db2.gz BXVAVXHPXVAUBU-UHFFFAOYSA-N 1 0 141.258 2.271 50 0 AEAARO Cc1ccc2c(c1C)OCC[C@@H]2[NH3+] 11849010 343025424 /nfs/dbraw/zinc/02/54/24/343025424.db2.gz XQXVQTSILZCMDL-JTQLQIEISA-N 1 0 177.247 2.086 50 0 AEAARO Cc1ccc(OC[C@H](C)[NH3+])cc1C 11849664 343025565 /nfs/dbraw/zinc/02/55/65/343025565.db2.gz KTZHAJSXBVUZEA-JTQLQIEISA-N 1 0 179.263 2.029 50 0 AEAARO Cc1cc(C)c2c(c1)[C@H]([NH3+])CCO2 11849006 343025594 /nfs/dbraw/zinc/02/55/94/343025594.db2.gz KMICWNIEVDQIJO-SNVBAGLBSA-N 1 0 177.247 2.086 50 0 in-vitro AEAARO Cc1ccc(OC[C@@H](C)[NH3+])cc1C 11849663 343025648 /nfs/dbraw/zinc/02/56/48/343025648.db2.gz KTZHAJSXBVUZEA-SNVBAGLBSA-N 1 0 179.263 2.029 50 0 AEAARO Cc1ccc2c(c1C)OCC[C@H]2[NH3+] 11849011 343025671 /nfs/dbraw/zinc/02/56/71/343025671.db2.gz XQXVQTSILZCMDL-SNVBAGLBSA-N 1 0 177.247 2.086 50 0 AEAARO CCc1ccc2c(c1)[C@H]([NH3+])CCO2 11849002 343025710 /nfs/dbraw/zinc/02/57/10/343025710.db2.gz IEPIMUROQDSURV-SNVBAGLBSA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO Cc1cc(C)c2c(c1)[C@@H]([NH3+])CCO2 11849007 343025806 /nfs/dbraw/zinc/02/58/06/343025806.db2.gz KMICWNIEVDQIJO-JTQLQIEISA-N 1 0 177.247 2.086 50 0 in-vitro AEAARO Cc1ccc(-c2cc(C[NH3+])no2)cc1 11920176 343026914 /nfs/dbraw/zinc/02/69/14/343026914.db2.gz XUZAZIRLRAUPST-UHFFFAOYSA-N 1 0 188.230 2.109 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cn(C)c2ccccc12 11920655 343026947 /nfs/dbraw/zinc/02/69/47/343026947.db2.gz JIKMCZHPLQRBBE-QMMMGPOBSA-N 1 0 174.247 2.198 50 0 AEAARO C[C@H]([NH3+])c1c[nH]c2ccccc12 11920653 343027379 /nfs/dbraw/zinc/02/73/79/343027379.db2.gz VBNMNLNTLNOVIT-ZETCQYMHSA-N 1 0 160.220 2.188 50 0 in-vitro AEAARO C[C@H](C[NH3+])Oc1ccc(Cl)cc1 11946390 343027302 /nfs/dbraw/zinc/02/73/02/343027302.db2.gz UCZNOIBVNALPSU-SSDOTTSWSA-N 1 0 185.654 2.066 50 0 in-vitro AEAARO CC[C@H](C[NH3+])Cc1ccccc1 11975205 343027685 /nfs/dbraw/zinc/02/76/85/343027685.db2.gz GGYONGNXNLXRAS-JTQLQIEISA-N 1 0 163.264 2.214 50 0 in-vitro AEAARO CC[C@@H](C[NH3+])Cc1ccccc1 11975203 343027832 /nfs/dbraw/zinc/02/78/32/343027832.db2.gz GGYONGNXNLXRAS-SNVBAGLBSA-N 1 0 163.264 2.214 50 0 in-vitro AEAARO Cc1cccc(OC2CC[NH2+]CC2)c1 12138091 343028403 /nfs/dbraw/zinc/02/84/03/343028403.db2.gz RTSXWJCYCFVWBU-UHFFFAOYSA-N 1 0 191.274 2.126 50 0 in-vitro AEAARO Cc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 12359849 343029181 /nfs/dbraw/zinc/02/91/81/343029181.db2.gz XLKBIUMAMUGELV-GFCCVEGCSA-N 1 0 191.274 2.126 50 0 AEAARO Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1 12359850 343029319 /nfs/dbraw/zinc/02/93/19/343029319.db2.gz XLKBIUMAMUGELV-LBPRGKRZSA-N 1 0 191.274 2.126 50 0 AEAARO Cc1cccc(O[C@@H]2CCC[NH2+]C2)c1 12359856 343029338 /nfs/dbraw/zinc/02/93/38/343029338.db2.gz BTLCVZXSRONKNN-GFCCVEGCSA-N 1 0 191.274 2.126 50 0 AEAARO Cc1cccc(O[C@H]2CCC[NH2+]C2)c1 12359857 343029356 /nfs/dbraw/zinc/02/93/56/343029356.db2.gz BTLCVZXSRONKNN-LBPRGKRZSA-N 1 0 191.274 2.126 50 0 AEAARO CC(C)c1cc([C@@H]2CCC[NH2+]2)on1 12397620 343030004 /nfs/dbraw/zinc/03/00/04/343030004.db2.gz AOVXBLGZZGFZSD-QMMMGPOBSA-N 1 0 180.251 2.223 50 0 AEAARO CC(C)c1cc([C@H]2CCC[NH2+]2)no1 12397630 343030096 /nfs/dbraw/zinc/03/00/96/343030096.db2.gz AKSJGCJJRTZWNS-MRVPVSSYSA-N 1 0 180.251 2.223 50 0 in-vitro AEAARO CC(C)c1cc([C@H]2CCC[NH2+]2)on1 12397622 343030203 /nfs/dbraw/zinc/03/02/03/343030203.db2.gz AOVXBLGZZGFZSD-MRVPVSSYSA-N 1 0 180.251 2.223 50 0 AEAARO CC(C)c1cc([C@@H]2CCC[NH2+]2)no1 12397628 343030216 /nfs/dbraw/zinc/03/02/16/343030216.db2.gz AKSJGCJJRTZWNS-QMMMGPOBSA-N 1 0 180.251 2.223 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc(OC(F)F)cc1 12401878 343030379 /nfs/dbraw/zinc/03/03/79/343030379.db2.gz RTLQRHINHVOHHH-LURJTMIESA-N 1 0 187.189 2.308 50 0 in-vitro AEAARO C[N@H+](CCCCO)C1CCCCC1 12403779 343030518 /nfs/dbraw/zinc/03/05/18/343030518.db2.gz YRRULSXBQVBJAR-UHFFFAOYSA-N 1 0 185.311 2.023 50 0 in-vitro AEAARO CC[C@@H]([NH3+])CCc1ccccc1 12502753 343031438 /nfs/dbraw/zinc/03/14/38/343031438.db2.gz NLSQENXHYZSNFE-LLVKDONJSA-N 1 0 163.264 2.357 50 0 in-vitro AEAARO Cc1cccc2c(N)cc[nH+]c12 12462993 343031485 /nfs/dbraw/zinc/03/14/85/343031485.db2.gz TVZPXEZTWRAIID-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 in-vitro AEAARO CC(C)[C@H](C[NH3+])Nc1ccccc1 12505457 343031809 /nfs/dbraw/zinc/03/18/09/343031809.db2.gz AMOLXIHWDNPJRW-NSHDSACASA-N 1 0 178.279 2.082 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc(F)cc1Cl 12506516 343031906 /nfs/dbraw/zinc/03/19/06/343031906.db2.gz JTMGFESJCXOUCW-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO CC(C)[C@@H](C[NH3+])Nc1ccccc1 12505456 343032037 /nfs/dbraw/zinc/03/20/37/343032037.db2.gz AMOLXIHWDNPJRW-LLVKDONJSA-N 1 0 178.279 2.082 50 0 in-vitro AEAARO CC[C@H]([NH2+]C)c1ccc(OC)cc1 12956837 343032548 /nfs/dbraw/zinc/03/25/48/343032548.db2.gz UNXOGHQXFQRMTM-NSHDSACASA-N 1 0 179.263 2.366 50 0 in-vitro AEAARO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1[NH3+] 12953759 343032638 /nfs/dbraw/zinc/03/26/38/343032638.db2.gz CBYXIIFIKSBHEY-WEDXCCLWSA-N 1 0 153.269 2.160 50 0 AEAARO C[C@H]([NH3+])c1nc2ccccc2s1 13425550 343034723 /nfs/dbraw/zinc/03/47/23/343034723.db2.gz LXVJOKQWUUSEEO-LURJTMIESA-N 1 0 178.260 2.316 50 0 in-vitro AEAARO Cc1ccc([C@H]([NH3+])c2ccncc2)cc1 13465429 343035191 /nfs/dbraw/zinc/03/51/91/343035191.db2.gz AYXZNLMVLLGRKR-ZDUSSCGKSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO Cc1ccc([C@@H]([NH3+])c2ccncc2)cc1 13465426 343035240 /nfs/dbraw/zinc/03/52/40/343035240.db2.gz AYXZNLMVLLGRKR-CYBMUJFWSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO C[C@H]1C[N@H+](C)[C@@H](C)c2cc[nH]c21 13468146 343035377 /nfs/dbraw/zinc/03/53/77/343035377.db2.gz WVTOBSCFCZZSOE-YUMQZZPRSA-N 1 0 164.252 2.125 50 0 AEAARO CCC(C)(C)[NH2+]Cc1ccccn1 13718326 343036814 /nfs/dbraw/zinc/03/68/14/343036814.db2.gz POEJPQGQVSOREX-UHFFFAOYSA-N 1 0 178.279 2.360 50 0 AEAARO CC[C@@H]1Cc2ccccc2C[NH2+]1 13797964 343037304 /nfs/dbraw/zinc/03/73/04/343037304.db2.gz DQJWABGLXUIRKS-LLVKDONJSA-N 1 0 161.248 2.111 50 0 in-vitro AEAARO CC[C@H]1Cc2ccccc2C[NH2+]1 13797967 343037367 /nfs/dbraw/zinc/03/73/67/343037367.db2.gz DQJWABGLXUIRKS-NSHDSACASA-N 1 0 161.248 2.111 50 0 in-vitro AEAARO C[NH+](C)Cc1cccc(Cl)c1 14218124 343038669 /nfs/dbraw/zinc/03/86/69/343038669.db2.gz NMCHMNHSIHVTDC-UHFFFAOYSA-N 1 0 169.655 2.402 50 0 AEAARO C[NH+](C)Cc1ccc(Cl)cc1 14218115 343038780 /nfs/dbraw/zinc/03/87/80/343038780.db2.gz OEZKSNAMPUQHNQ-UHFFFAOYSA-N 1 0 169.655 2.402 50 0 AEAARO Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1C 14632200 343039677 /nfs/dbraw/zinc/03/96/77/343039677.db2.gz XIZPWTBSTQBDRF-GFCCVEGCSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccc(C)c(O[C@@H]2CC[NH2+]C2)c1 14632145 343039708 /nfs/dbraw/zinc/03/97/08/343039708.db2.gz ASLMJNHTVHRJGR-LLVKDONJSA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1cccc(O[C@H]2CC[NH2+]C2)c1C 14632132 343039712 /nfs/dbraw/zinc/03/97/12/343039712.db2.gz KLRZIWKEHRGGDE-NSHDSACASA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccc(O[C@@H]2CC[NH2+]C2)c(C)c1 14632138 343039852 /nfs/dbraw/zinc/03/98/52/343039852.db2.gz CQAIYACFVFLDEV-LLVKDONJSA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1ccc(O[C@H]2CC[NH2+]C2)cc1C 14632202 343039859 /nfs/dbraw/zinc/03/98/59/343039859.db2.gz XIZPWTBSTQBDRF-LBPRGKRZSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1cccc(O[C@@H]2CC[NH2+]C2)c1C 14632130 343039903 /nfs/dbraw/zinc/03/99/03/343039903.db2.gz KLRZIWKEHRGGDE-LLVKDONJSA-N 1 0 191.274 2.044 50 0 AEAARO CC(C)Oc1ccc(CCC[NH3+])cc1 15014357 343040866 /nfs/dbraw/zinc/04/08/66/343040866.db2.gz FEJNJJIKMCMMRN-UHFFFAOYSA-N 1 0 193.290 2.365 50 0 in-vitro AEAARO Cc1ccc(OCCCC[NH3+])cc1 15014430 343040953 /nfs/dbraw/zinc/04/09/53/343040953.db2.gz NCAJSWHJILCMSV-UHFFFAOYSA-N 1 0 179.263 2.113 50 0 in-vitro AEAARO Cc1ccc(C[C@H]2CC[NH2+]C2)cc1 15020823 343041387 /nfs/dbraw/zinc/04/13/87/343041387.db2.gz PLXKQUZKRRYQGR-GFCCVEGCSA-N 1 0 175.275 2.147 50 0 in-vitro AEAARO CCCCOCC[C@H]1CCCC[NH2+]1 15442128 343042235 /nfs/dbraw/zinc/04/22/35/343042235.db2.gz LJVABYDBMYMAOQ-LLVKDONJSA-N 1 0 185.311 2.335 50 0 in-vitro AEAARO CC[C@H](C)[NH2+]C1CCCC1 15686591 343042530 /nfs/dbraw/zinc/04/25/30/343042530.db2.gz AGJYCYBKHGJTMF-QMMMGPOBSA-N 1 0 141.258 2.317 50 0 in-vitro AEAARO CCCC[C@H]([NH3+])c1ccncc1 15781567 343042689 /nfs/dbraw/zinc/04/26/89/343042689.db2.gz SZGIRYDKZFHNIV-JTQLQIEISA-N 1 0 164.252 2.272 50 0 AEAARO CCC[N@@H+]1CCCC[C@H]1C 15781588 343042740 /nfs/dbraw/zinc/04/27/40/343042740.db2.gz MRVKZWJOSLLFML-SECBINFHSA-N 1 0 141.258 2.271 50 0 AEAARO CCC[N@@H+]1CCCC[C@@H]1C 15781586 343042785 /nfs/dbraw/zinc/04/27/85/343042785.db2.gz MRVKZWJOSLLFML-VIFPVBQESA-N 1 0 141.258 2.271 50 0 AEAARO CCCC[C@@H]([NH3+])c1ccncc1 15781565 343042809 /nfs/dbraw/zinc/04/28/09/343042809.db2.gz SZGIRYDKZFHNIV-SNVBAGLBSA-N 1 0 164.252 2.272 50 0 AEAARO Cc1ccsc1C[NH2+]C1CC1 16363162 343043746 /nfs/dbraw/zinc/04/37/46/343043746.db2.gz VJKZEIGEHNHRNI-UHFFFAOYSA-N 1 0 167.277 2.309 50 0 AEAARO Cc1cccc(CC2([NH3+])CC2)c1 16745493 343044534 /nfs/dbraw/zinc/04/45/34/343044534.db2.gz VJIPYCHSUAYUQY-UHFFFAOYSA-N 1 0 161.248 2.029 50 0 AEAARO Cc1c(F)ccc2cc(C[NH3+])[nH]c12 16941571 343045250 /nfs/dbraw/zinc/04/52/50/343045250.db2.gz JQUSGAXNXFXYCJ-UHFFFAOYSA-N 1 0 178.210 2.074 50 0 AEAARO CC[C@@H]([NH3+])c1nc2cc(C)ccc2[nH]1 19088299 343049405 /nfs/dbraw/zinc/04/94/05/343049405.db2.gz UAUIXCLRTQDOOJ-MRVPVSSYSA-N 1 0 189.262 2.281 50 0 in-vitro AEAARO CC1(C)C[C@@]1(C[NH3+])c1ccccc1 19088148 343049500 /nfs/dbraw/zinc/04/95/00/343049500.db2.gz WOSHSQQCFZHNIW-GFCCVEGCSA-N 1 0 175.275 2.313 50 0 in-vitro AEAARO C[C@H](c1ccc(C=O)cc1)[NH+](C)C 19090333 343049629 /nfs/dbraw/zinc/04/96/29/343049629.db2.gz FFQIQLFXHDPNON-SECBINFHSA-N 1 0 177.247 2.122 50 0 in-vitro AEAARO CCn1nc(C)c(C[NH2+]C(C)C)c1C 19089134 343049930 /nfs/dbraw/zinc/04/99/30/343049930.db2.gz GXNCLALLNYAZSB-UHFFFAOYSA-N 1 0 195.310 2.018 50 0 in-vitro AEAARO Cc1ccc(C(C)(C)[NH3+])cc1 19089978 343049955 /nfs/dbraw/zinc/04/99/55/343049955.db2.gz AHIOEYFAAFXSSZ-UHFFFAOYSA-N 1 0 149.237 2.189 50 0 in-vitro AEAARO CC(C)[C@H](C)[NH2+]Cc1ccco1 19091312 343050142 /nfs/dbraw/zinc/05/01/42/343050142.db2.gz DCOBBBDLLBCOBG-VIFPVBQESA-N 1 0 167.252 2.414 50 0 in-vitro AEAARO CC(C)[C@@H](C)[NH2+]Cc1ccco1 19091309 343050172 /nfs/dbraw/zinc/05/01/72/343050172.db2.gz DCOBBBDLLBCOBG-SECBINFHSA-N 1 0 167.252 2.414 50 0 in-vitro AEAARO C[C@H](c1cccc(C=O)c1)[NH+](C)C 19090341 343050300 /nfs/dbraw/zinc/05/03/00/343050300.db2.gz VVBTYDOIRBJCJZ-SECBINFHSA-N 1 0 177.247 2.122 50 0 in-vitro AEAARO CCC[NH2+]C(CC)CC 19091341 343050321 /nfs/dbraw/zinc/05/03/21/343050321.db2.gz QLEKHMZVJVKWQZ-UHFFFAOYSA-N 1 0 129.247 2.175 50 0 AEAARO CCCC[C@@H]([NH3+])c1cccnc1 19091677 343050614 /nfs/dbraw/zinc/05/06/14/343050614.db2.gz FPBYBHDBWKITIQ-SNVBAGLBSA-N 1 0 164.252 2.272 50 0 in-vitro AEAARO Cc1cc(C)c2[nH+]ccc(N)c2c1 19092653 343050635 /nfs/dbraw/zinc/05/06/35/343050635.db2.gz MWEAEUSVMYYGPK-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO CCCC[C@H]([NH3+])c1cccnc1 19091680 343050755 /nfs/dbraw/zinc/05/07/55/343050755.db2.gz FPBYBHDBWKITIQ-JTQLQIEISA-N 1 0 164.252 2.272 50 0 in-vitro AEAARO CC[C@H](C)Oc1ccccc1C[NH3+] 19092832 343050765 /nfs/dbraw/zinc/05/07/65/343050765.db2.gz XHKNZQJAMBTBKQ-VIFPVBQESA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC[C@H](C)Oc1cccc(C[NH3+])c1 19091951 343050883 /nfs/dbraw/zinc/05/08/83/343050883.db2.gz RNQTZBUPQQZDHV-VIFPVBQESA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO C[NH2+]CCOc1c(C)cc(C)cc1C 19094275 343051463 /nfs/dbraw/zinc/05/14/63/343051463.db2.gz DLWTWBCLYGSACJ-UHFFFAOYSA-N 1 0 193.290 2.210 50 0 in-vitro AEAARO CCc1ccccc1OCCC[NH2+]C 19094090 343051477 /nfs/dbraw/zinc/05/14/77/343051477.db2.gz KXCPWLCGTFYYIM-UHFFFAOYSA-N 1 0 193.290 2.237 50 0 in-vitro AEAARO CCc1cccc(OCCC[NH2+]C)c1 19094252 343051498 /nfs/dbraw/zinc/05/14/98/343051498.db2.gz LFATYAVODMGQKY-UHFFFAOYSA-N 1 0 193.290 2.237 50 0 in-vitro AEAARO C[NH2+]CCCOc1cc(C)cc(C)c1 19094229 343051569 /nfs/dbraw/zinc/05/15/69/343051569.db2.gz DKEZRTKRWTWEOL-UHFFFAOYSA-N 1 0 193.290 2.292 50 0 in-vitro AEAARO C[NH2+]CCSc1ccc(C)cc1 19094412 343051600 /nfs/dbraw/zinc/05/16/00/343051600.db2.gz OKXZTCFMGIUXTB-UHFFFAOYSA-N 1 0 181.304 2.307 50 0 in-vitro AEAARO C[NH2+]CCOc1cc(C)cc(C)c1C 19094309 343051628 /nfs/dbraw/zinc/05/16/28/343051628.db2.gz JPDYNOMOWBLNPY-UHFFFAOYSA-N 1 0 193.290 2.210 50 0 in-vitro AEAARO C[NH2+]CCOc1ccc(C(C)C)cc1 19094174 343051669 /nfs/dbraw/zinc/05/16/69/343051669.db2.gz GCZZESSAJMRKPI-UHFFFAOYSA-N 1 0 193.290 2.408 50 0 in-vitro AEAARO CCCCC[NH2+]C(C)C 19398701 343054022 /nfs/dbraw/zinc/05/40/22/343054022.db2.gz QCWXZFZXEGTLOV-UHFFFAOYSA-N 1 0 129.247 2.175 50 0 AEAARO Cc1ccc(C[C@@H](C)[NH3+])c(C)c1 19391840 343054043 /nfs/dbraw/zinc/05/40/43/343054043.db2.gz APKRQZWEAZTOTA-SNVBAGLBSA-N 1 0 163.264 2.193 50 0 AEAARO CC(C)OCc1ccc(C[NH3+])cc1 19389411 343054055 /nfs/dbraw/zinc/05/40/55/343054055.db2.gz ILTZJELFPWVQJJ-UHFFFAOYSA-N 1 0 179.263 2.070 50 0 in-vitro AEAARO CC(C)OCc1cccc(C[NH3+])c1 19405550 343054532 /nfs/dbraw/zinc/05/45/32/343054532.db2.gz PAGAOEPSWQTECY-UHFFFAOYSA-N 1 0 179.263 2.070 50 0 in-vitro AEAARO CCCN(CCC)C[C@H]1CCCC[NH2+]1 19441863 343055731 /nfs/dbraw/zinc/05/57/31/343055731.db2.gz JECMDTMOQOVPIU-GFCCVEGCSA-N 1 0 198.354 2.251 50 0 AEAARO CCCN(CCC)C[C@@H]1CCCC[NH2+]1 19441862 343055882 /nfs/dbraw/zinc/05/58/82/343055882.db2.gz JECMDTMOQOVPIU-LBPRGKRZSA-N 1 0 198.354 2.251 50 0 AEAARO CCC[NH2+]Cc1ccc(F)c(F)c1 19506540 343056628 /nfs/dbraw/zinc/05/66/28/343056628.db2.gz DSSZZGLFQNWWFY-UHFFFAOYSA-N 1 0 185.217 2.464 50 0 AEAARO CCC[NH2+]Cc1c(F)cccc1F 19503939 343056676 /nfs/dbraw/zinc/05/66/76/343056676.db2.gz NABIPVOLERRIMI-UHFFFAOYSA-N 1 0 185.217 2.464 50 0 AEAARO CCC1CCC([NH2+]CCN(C)C)CC1 19609077 343057642 /nfs/dbraw/zinc/05/76/42/343057642.db2.gz JGLANXWHHNQXQC-UHFFFAOYSA-N 1 0 198.354 2.106 50 0 AEAARO CCc1ccc(C(C)(C)[NH3+])cc1 19673383 343058077 /nfs/dbraw/zinc/05/80/77/343058077.db2.gz XTKSRELQIARJHS-UHFFFAOYSA-N 1 0 163.264 2.443 50 0 in-vitro AEAARO Cc1cccc(C(C)(C)[NH3+])c1 19682471 343058114 /nfs/dbraw/zinc/05/81/14/343058114.db2.gz PIRQFBKWGQLLMT-UHFFFAOYSA-N 1 0 149.237 2.189 50 0 AEAARO CC[C@@H](C[NH3+])c1ccc(F)cc1 19726093 343058787 /nfs/dbraw/zinc/05/87/87/343058787.db2.gz CINNAYZGZASLFB-QMMMGPOBSA-N 1 0 167.227 2.278 50 0 AEAARO Cc1ccc(-c2nc(C[NH3+])co2)cc1 19723000 343058837 /nfs/dbraw/zinc/05/88/37/343058837.db2.gz BUOOJNCQAYOJQQ-UHFFFAOYSA-N 1 0 188.230 2.109 50 0 in-vitro AEAARO CC(C)[C@@H](C[NH3+])c1ccccc1 19726123 343058881 /nfs/dbraw/zinc/05/88/81/343058881.db2.gz VDMAQVANUGNDOM-LLVKDONJSA-N 1 0 163.264 2.385 50 0 in-vitro AEAARO CC(C)[C@H](C[NH3+])c1ccccc1 19726124 343058969 /nfs/dbraw/zinc/05/89/69/343058969.db2.gz VDMAQVANUGNDOM-NSHDSACASA-N 1 0 163.264 2.385 50 0 in-vitro AEAARO Cc1ccc2c(c1)[C@@H]([NH3+])CCC2 19727396 343058996 /nfs/dbraw/zinc/05/89/96/343058996.db2.gz BYRCTECSUWUSJF-NSHDSACASA-N 1 0 161.248 2.331 50 0 in-vitro AEAARO Cc1ccc2c(c1)[C@H]([NH3+])CCC2 19727395 343059014 /nfs/dbraw/zinc/05/90/14/343059014.db2.gz BYRCTECSUWUSJF-LLVKDONJSA-N 1 0 161.248 2.331 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)C[NH3+])cc1 19726051 343059028 /nfs/dbraw/zinc/05/90/28/343059028.db2.gz OSYBUIYEZRXUGS-VIFPVBQESA-N 1 0 149.237 2.057 50 0 in-vitro AEAARO CC[C@H](C[NH3+])c1ccc(F)cc1 19726094 343059046 /nfs/dbraw/zinc/05/90/46/343059046.db2.gz CINNAYZGZASLFB-MRVPVSSYSA-N 1 0 167.227 2.278 50 0 AEAARO CCn1c([C@@H](C)[NH3+])nc2ccccc21 19734270 343059271 /nfs/dbraw/zinc/05/92/71/343059271.db2.gz SDFPVEUOZARWAI-MRVPVSSYSA-N 1 0 189.262 2.076 50 0 in-vitro AEAARO CCn1c([C@H](C)[NH3+])nc2ccccc21 19734271 343059348 /nfs/dbraw/zinc/05/93/48/343059348.db2.gz SDFPVEUOZARWAI-QMMMGPOBSA-N 1 0 189.262 2.076 50 0 in-vitro AEAARO C[C@H]1[NH2+]CCc2c1[nH]c1ccccc21 19735187 343059497 /nfs/dbraw/zinc/05/94/97/343059497.db2.gz LPIJOZBIVDCQTE-MRVPVSSYSA-N 1 0 186.258 2.375 50 0 in-vitro AEAARO CC(C)n1c(C[NH3+])nc2ccccc21 19734171 343059571 /nfs/dbraw/zinc/05/95/71/343059571.db2.gz XPKLFQHHXODWNO-UHFFFAOYSA-N 1 0 189.262 2.076 50 0 AEAARO CCCCCC[NH2+]CCCOC 19738582 343059882 /nfs/dbraw/zinc/05/98/82/343059882.db2.gz AEWAXCURVTXPCW-UHFFFAOYSA-N 1 0 173.300 2.193 50 0 AEAARO CC(C)Oc1cccc([C@H](C)[NH3+])c1 19737247 343059946 /nfs/dbraw/zinc/05/99/46/343059946.db2.gz HYWTVQKMPIPXGT-VIFPVBQESA-N 1 0 179.263 2.494 50 0 in-vitro AEAARO CC(C)Oc1cccc([C@@H](C)[NH3+])c1 19737246 343059955 /nfs/dbraw/zinc/05/99/55/343059955.db2.gz HYWTVQKMPIPXGT-SECBINFHSA-N 1 0 179.263 2.494 50 0 in-vitro AEAARO C[C@H]1CCC[C@@H](C)[N@@H+]1CCCCO 19737130 343060082 /nfs/dbraw/zinc/06/00/82/343060082.db2.gz PXKHKDPKKROFIS-PHIMTYICSA-N 1 0 185.311 2.022 50 0 AEAARO CCc1ccc([C@@H]2CC[NH2+]C2)cc1 19785201 343060220 /nfs/dbraw/zinc/06/02/20/343060220.db2.gz MIYWEAJLZPJRJE-GFCCVEGCSA-N 1 0 175.275 2.326 50 0 in-vitro AEAARO CC(C)c1ccc([C@H]([NH3+])CCO)cc1 19784046 343060277 /nfs/dbraw/zinc/06/02/77/343060277.db2.gz TVSIYSBCFQVGGD-GFCCVEGCSA-N 1 0 193.290 2.192 50 0 in-vitro AEAARO CC(C)c1ccc([C@@H]([NH3+])CCO)cc1 19784045 343060282 /nfs/dbraw/zinc/06/02/82/343060282.db2.gz TVSIYSBCFQVGGD-LBPRGKRZSA-N 1 0 193.290 2.192 50 0 in-vitro AEAARO Cc1ccccc1[C@H]1CC[NH2+]C1 19785198 343060402 /nfs/dbraw/zinc/06/04/02/343060402.db2.gz XPZIJQMOVSHKOL-JTQLQIEISA-N 1 0 161.248 2.072 50 0 in-vitro AEAARO Cc1ccc([C@H]2CSCC[NH2+]2)cc1 19772780 343060419 /nfs/dbraw/zinc/06/04/19/343060419.db2.gz NEXJMYXPPQMZCK-LLVKDONJSA-N 1 0 193.315 2.373 50 0 in-vitro AEAARO Cc1ccc([C@@H]2CSCC[NH2+]2)cc1 19772779 343060440 /nfs/dbraw/zinc/06/04/40/343060440.db2.gz NEXJMYXPPQMZCK-NSHDSACASA-N 1 0 193.315 2.373 50 0 in-vitro AEAARO CC1(C)C[NH2+]Cc2ccccc21 19789204 343060450 /nfs/dbraw/zinc/06/04/50/343060450.db2.gz QOWZBQAJZICMKD-UHFFFAOYSA-N 1 0 161.248 2.067 50 0 in-vitro AEAARO Cc1ccc(SCC(N)=[NH2+])cc1C 19863626 343062495 /nfs/dbraw/zinc/06/24/95/343062495.db2.gz SNUVXKHICDGARV-UHFFFAOYSA-N 1 0 194.303 2.332 50 0 AEAARO CC(C)[NH2+]Cc1c(F)cccc1F 19880370 343062869 /nfs/dbraw/zinc/06/28/69/343062869.db2.gz QFYRNLXBQZHPTK-UHFFFAOYSA-N 1 0 185.217 2.463 50 0 AEAARO CC(C)[NH2+]Cc1ccc(F)cc1F 19880358 343062923 /nfs/dbraw/zinc/06/29/23/343062923.db2.gz LVTPOQDGWZBUEY-UHFFFAOYSA-N 1 0 185.217 2.463 50 0 AEAARO CC(C)[NH2+]Cc1ccsc1 19880445 343063037 /nfs/dbraw/zinc/06/30/37/343063037.db2.gz DLIBABRRFOROSL-UHFFFAOYSA-N 1 0 155.266 2.246 50 0 AEAARO CC[C@H](C)[NH2+]Cc1ccc(C)o1 19881940 343063233 /nfs/dbraw/zinc/06/32/33/343063233.db2.gz RGSBGXLXKSDCAN-QMMMGPOBSA-N 1 0 167.252 2.476 50 0 AEAARO CCC1CCC([NH2+]CCOC)CC1 19881154 343063333 /nfs/dbraw/zinc/06/33/33/343063333.db2.gz SMPQSHBIXUJMAC-UHFFFAOYSA-N 1 0 185.311 2.191 50 0 AEAARO CC[C@H]([NH2+]CCOC)c1ccccc1 19881290 343063409 /nfs/dbraw/zinc/06/34/09/343063409.db2.gz OZQABAIYCBVBFU-LBPRGKRZSA-N 1 0 193.290 2.374 50 0 AEAARO CC(C)[NH2+]CCc1ccc(F)cc1 19904116 343063906 /nfs/dbraw/zinc/06/39/06/343063906.db2.gz PUYBBEVWXQAXRH-UHFFFAOYSA-N 1 0 181.254 2.366 50 0 AEAARO CCCC[C@H]1[NH2+]CCCS1 19925230 343064529 /nfs/dbraw/zinc/06/45/29/343064529.db2.gz XUDPUKHCVOHLJF-QMMMGPOBSA-N 1 0 159.298 2.229 50 0 AEAARO CCCC[C@@H]1[NH2+]CCCS1 19925228 343064680 /nfs/dbraw/zinc/06/46/80/343064680.db2.gz XUDPUKHCVOHLJF-MRVPVSSYSA-N 1 0 159.298 2.229 50 0 AEAARO CCC[NH2+]CCc1cccs1 19949379 343065030 /nfs/dbraw/zinc/06/50/30/343065030.db2.gz YZBKMLGLDHXXFH-UHFFFAOYSA-N 1 0 169.293 2.290 50 0 in-vitro AEAARO CC[C@H]([NH3+])c1ccc(F)c(F)c1 19968391 343065451 /nfs/dbraw/zinc/06/54/51/343065451.db2.gz LWTZLRLBBSSNEN-VIFPVBQESA-N 1 0 171.190 2.375 50 0 in-vitro AEAARO C[C@H]1C[C@H]([NH3+])c2ccccc21 19972469 343065991 /nfs/dbraw/zinc/06/59/91/343065991.db2.gz AAYKJFZVFFINFK-XVKPBYJWSA-N 1 0 147.221 2.194 50 0 in-vitro AEAARO C[C@H]1C[C@@H]([NH3+])c2ccccc21 19972467 343066011 /nfs/dbraw/zinc/06/60/11/343066011.db2.gz AAYKJFZVFFINFK-OIBJUYFYSA-N 1 0 147.221 2.194 50 0 in-vitro AEAARO CN(C[C@H]1CCC[NH2+]1)C1CCCCC1 20073146 343066625 /nfs/dbraw/zinc/06/66/25/343066625.db2.gz KZPKUUYAVVQCJN-LLVKDONJSA-N 1 0 196.338 2.003 50 0 AEAARO CN(C[C@@H]1CCC[NH2+]1)C1CCCCC1 20073144 343066752 /nfs/dbraw/zinc/06/67/52/343066752.db2.gz KZPKUUYAVVQCJN-NSHDSACASA-N 1 0 196.338 2.003 50 0 AEAARO C[C@H]1CCC[C@@H](C)N1C[C@@H]1CCC[NH2+]1 20073879 343066821 /nfs/dbraw/zinc/06/68/21/343066821.db2.gz IKSMAKBWWFHGQO-TUAOUCFPSA-N 1 0 196.338 2.001 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc(F)c(Cl)c1 20078289 343067179 /nfs/dbraw/zinc/06/71/79/343067179.db2.gz QHARBBFZGIDKLK-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO CC[C@H](C)C[NH2+]Cc1ccco1 20084021 343067193 /nfs/dbraw/zinc/06/71/93/343067193.db2.gz HXJPXIFVFIFERZ-VIFPVBQESA-N 1 0 167.252 2.415 50 0 AEAARO CC[C@H](C)[C@H](C)[NH2+]C1CC1 20083087 343067199 /nfs/dbraw/zinc/06/71/99/343067199.db2.gz WUJHOANSHGBYHT-YUMQZZPRSA-N 1 0 141.258 2.173 50 0 in-vitro AEAARO CC[C@H](C)[C@@H](C)[NH2+]C1CC1 20083081 343067289 /nfs/dbraw/zinc/06/72/89/343067289.db2.gz WUJHOANSHGBYHT-JGVFFNPUSA-N 1 0 141.258 2.173 50 0 in-vitro AEAARO CCC[NH2+][C@@H](C)[C@H](C)CC 20084302 343067294 /nfs/dbraw/zinc/06/72/94/343067294.db2.gz XIGAQVHJQKWWCO-BDAKNGLRSA-N 1 0 143.274 2.421 50 0 AEAARO CCCCN(C)c1ccccc1C[NH3+] 20075720 343067298 /nfs/dbraw/zinc/06/72/98/343067298.db2.gz IGLVKIFKBWBVQB-UHFFFAOYSA-N 1 0 192.306 2.382 50 0 AEAARO CCCC1CCC([NH3+])CC1 20083479 343067312 /nfs/dbraw/zinc/06/73/12/343067312.db2.gz OZUBMBIDHPBIDL-UHFFFAOYSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO Cc1noc(C)c1C[NH2+]C1CCCC1 20252812 343070342 /nfs/dbraw/zinc/07/03/42/343070342.db2.gz KEEJOSQWSHEYBI-UHFFFAOYSA-N 1 0 194.278 2.324 50 0 AEAARO CC[C@@H]([NH3+])c1cccc(OC)c1 20264961 343070478 /nfs/dbraw/zinc/07/04/78/343070478.db2.gz YKOYYTCNJPJMSK-SNVBAGLBSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1ccccc1OC 20264956 343070530 /nfs/dbraw/zinc/07/05/30/343070530.db2.gz AOUJHJAMITZHPK-SECBINFHSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO Cc1ccc2c(C[C@H](C)[NH3+])c[nH]c2c1 20269434 343070843 /nfs/dbraw/zinc/07/08/43/343070843.db2.gz ZXBLNWCKQUBOJA-VIFPVBQESA-N 1 0 188.274 2.366 50 0 AEAARO Cc1[nH]c2cc(F)ccc2c1CC[NH3+] 20269407 343070875 /nfs/dbraw/zinc/07/08/75/343070875.db2.gz KPANRCYERNRNCG-UHFFFAOYSA-N 1 0 192.237 2.117 50 0 in-vitro AEAARO Cc1ccc(OCC[NH2+]C2CC2)cc1 20361141 343072474 /nfs/dbraw/zinc/07/24/74/343072474.db2.gz JRROPZMURBZYCD-UHFFFAOYSA-N 1 0 191.274 2.126 50 0 AEAARO C[C@H]([NH3+])c1nc(C(F)(F)F)cs1 20438850 343073121 /nfs/dbraw/zinc/07/31/21/343073121.db2.gz DQIGJGIEPDJZDR-VKHMYHEASA-N 1 0 196.197 2.182 50 0 in-vitro AEAARO CC(C)c1nc([C@@H](C)[NH3+])cs1 20438854 343073204 /nfs/dbraw/zinc/07/32/04/343073204.db2.gz LREHYSNVFRWIKM-ZCFIWIBFSA-N 1 0 170.281 2.286 50 0 in-vitro AEAARO CC(C)c1nc([C@H](C)[NH3+])cs1 20438858 343073254 /nfs/dbraw/zinc/07/32/54/343073254.db2.gz LREHYSNVFRWIKM-LURJTMIESA-N 1 0 170.281 2.286 50 0 in-vitro AEAARO CC1(C)C[NH2+][C@H]1c1ccccc1 20596528 343074721 /nfs/dbraw/zinc/07/47/21/343074721.db2.gz QPEZEDNCUGQGIJ-JTQLQIEISA-N 1 0 161.248 2.357 50 0 in-vitro AEAARO CCCCNc1cc[nH+]cc1 21521095 343075617 /nfs/dbraw/zinc/07/56/17/343075617.db2.gz ZKROIIKNWZGVTE-UHFFFAOYSA-N 1 0 150.225 2.294 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)[NH3+])cc1F 21948918 343075712 /nfs/dbraw/zinc/07/57/12/343075712.db2.gz LTXLBDDARARPQF-SSDOTTSWSA-N 1 0 153.200 2.154 50 0 in-vitro AEAARO Cc1ccc([C@H](C)[NH3+])cc1F 21948920 343075768 /nfs/dbraw/zinc/07/57/68/343075768.db2.gz LTXLBDDARARPQF-ZETCQYMHSA-N 1 0 153.200 2.154 50 0 in-vitro AEAARO C[C@H]([NH3+])c1cccc(OC(F)F)c1 21949384 343076071 /nfs/dbraw/zinc/07/60/71/343076071.db2.gz KXLKJIXCWFZYIE-LURJTMIESA-N 1 0 187.189 2.308 50 0 in-vitro AEAARO C[C@H]1CCC[C@@H]([NH2+]C2CC2)C1 21956789 343076369 /nfs/dbraw/zinc/07/63/69/343076369.db2.gz CMLXXGUQXTZGFC-WCBMZHEXSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@H]1CCC[C@H]([NH2+]C2CC2)C1 21956797 343076435 /nfs/dbraw/zinc/07/64/35/343076435.db2.gz CMLXXGUQXTZGFC-WPRPVWTQSA-N 1 0 153.269 2.317 50 0 AEAARO CC1(C)C[C@@H]([NH3+])c2cc(F)ccc2O1 21987213 343077213 /nfs/dbraw/zinc/07/72/13/343077213.db2.gz LLWCBPNSRBRTGN-SECBINFHSA-N 1 0 195.237 2.387 50 0 AEAARO CC(C)[NH2+]Cc1nc2ccccc2[nH]1 22122029 343078676 /nfs/dbraw/zinc/07/86/76/343078676.db2.gz PDJPWMFBBIDZPM-UHFFFAOYSA-N 1 0 189.262 2.061 50 0 in-vitro AEAARO C[C@H]1CCCC[C@H]1[NH2+]C1CC1 22144329 343079230 /nfs/dbraw/zinc/07/92/30/343079230.db2.gz MQBABLCKMOESHI-WCBMZHEXSA-N 1 0 153.269 2.317 50 0 AEAARO CN1CCCC[C@@H]1[C@H]1CCCCC[NH2+]1 22129781 343079316 /nfs/dbraw/zinc/07/93/16/343079316.db2.gz FOKUOISMVYSDEI-VXGBXAGGSA-N 1 0 196.338 2.003 50 0 in-vitro AEAARO Cc1ccc(C[NH2+]C(C)(C)C)o1 22166400 343079647 /nfs/dbraw/zinc/07/96/47/343079647.db2.gz FGZYUEXAAWDNKW-UHFFFAOYSA-N 1 0 167.252 2.476 50 0 AEAARO CC1CCC([NH2+]C2CC2)CC1 22148392 343079741 /nfs/dbraw/zinc/07/97/41/343079741.db2.gz KOJWAMKNDZIKOG-UHFFFAOYSA-N 1 0 153.269 2.317 50 0 in-vitro AEAARO CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 22169131 343080089 /nfs/dbraw/zinc/08/00/89/343080089.db2.gz BWTIUPUITBLRGP-MRVPVSSYSA-N 1 0 192.262 2.055 50 0 in-vitro AEAARO Cc1ccc([C@@H](C)[NH2+]C2CC2)o1 22174883 343080258 /nfs/dbraw/zinc/08/02/58/343080258.db2.gz LDPCGLJPVDMZDK-MRVPVSSYSA-N 1 0 165.236 2.401 50 0 AEAARO CC(C)Oc1ccccc1[C@H](C)[NH3+] 22176059 343080369 /nfs/dbraw/zinc/08/03/69/343080369.db2.gz OFGMBEPFKXAJKV-VIFPVBQESA-N 1 0 179.263 2.494 50 0 in-vitro AEAARO CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 22169134 343080388 /nfs/dbraw/zinc/08/03/88/343080388.db2.gz BWTIUPUITBLRGP-QMMMGPOBSA-N 1 0 192.262 2.055 50 0 in-vitro AEAARO C[C@H]1C[N@H+](C(C)(C)C)[C@@H](C)CC1=O 22205471 343080576 /nfs/dbraw/zinc/08/05/76/343080576.db2.gz XUNSWMLOUXQOJP-IUCAKERBSA-N 1 0 183.295 2.084 50 0 AEAARO C[C@H]1CC(=O)[C@H](C)C[N@@H+]1C(C)(C)C 22205477 343080852 /nfs/dbraw/zinc/08/08/52/343080852.db2.gz XUNSWMLOUXQOJP-BDAKNGLRSA-N 1 0 183.295 2.084 50 0 AEAARO C[C@H]1C[N@H+](C(C)(C)C)[C@H](C)CC1=O 22205468 343080888 /nfs/dbraw/zinc/08/08/88/343080888.db2.gz XUNSWMLOUXQOJP-DTWKUNHWSA-N 1 0 183.295 2.084 50 0 AEAARO Cc1cnc(C[NH2+]CC(C)C)s1 22862374 343082290 /nfs/dbraw/zinc/08/22/90/343082290.db2.gz DPNJIHNGQZTHQW-UHFFFAOYSA-N 1 0 184.308 2.197 50 0 AEAARO CC[C@@H]1C[NH2+]Cc2ccccc21 23584600 343084091 /nfs/dbraw/zinc/08/40/91/343084091.db2.gz KQSKDBNSOXTNLO-SECBINFHSA-N 1 0 161.248 2.283 50 0 AEAARO CC1=CC(C)(C)[NH2+]C(C)=C1 25623905 343087039 /nfs/dbraw/zinc/08/70/39/343087039.db2.gz DIYCBAPGHKJRBJ-UHFFFAOYSA-N 1 0 137.226 2.218 50 0 AEAARO Cc1ccc2[nH+]ccc(N)c2c1 26440577 343087947 /nfs/dbraw/zinc/08/79/47/343087947.db2.gz SRZFMMDHZCOFRB-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 in-vitro AEAARO Cc1nc(-c2ccccc2)oc1C[NH3+] 26340290 343088006 /nfs/dbraw/zinc/08/80/06/343088006.db2.gz VCAYHDQQJIEHNH-UHFFFAOYSA-N 1 0 188.230 2.109 50 0 in-vitro AEAARO CC1(C)C[C@@H]([NH3+])C(C)(C)C1 26507336 343088742 /nfs/dbraw/zinc/08/87/42/343088742.db2.gz ROQHBVFBBCUFMZ-SSDOTTSWSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH3+] 26545970 343089865 /nfs/dbraw/zinc/08/98/65/343089865.db2.gz DYMFBDYKVZFBJH-SSDOTTSWSA-N 1 0 181.283 2.101 50 0 AEAARO Cc1nn(C(C)C)c(C)c1[C@H](C)[NH3+] 26545974 343089885 /nfs/dbraw/zinc/08/98/85/343089885.db2.gz DYMFBDYKVZFBJH-ZETCQYMHSA-N 1 0 181.283 2.101 50 0 AEAARO CC12C[C@@H]3C[C@H](C1)CC([NH3+])(C3)C2 27640856 343091220 /nfs/dbraw/zinc/09/12/20/343091220.db2.gz MWMFMCTUGUZSJJ-IXBNRNDTSA-N 1 0 165.280 2.304 50 0 in-vitro AEAARO C[C@H]([NH3+])CCc1ccccc1F 28313695 343091837 /nfs/dbraw/zinc/09/18/37/343091837.db2.gz PCVGTQIIFTVRGT-QMMMGPOBSA-N 1 0 167.227 2.106 50 0 AEAARO C[C@H]1C[NH2+]CCc2ccc(F)cc21 28128232 343091875 /nfs/dbraw/zinc/09/18/75/343091875.db2.gz TXVNTTRQUFIPMP-QMMMGPOBSA-N 1 0 179.238 2.075 50 0 AEAARO CCCC1=[NH+]CCCC1 30727080 343093060 /nfs/dbraw/zinc/09/30/60/343093060.db2.gz PQSOVRNZJIENNW-UHFFFAOYSA-N 1 0 125.215 2.411 50 0 biogenic,in-vitro AEAARO CCc1ccc(-c2c[nH]c(N)[nH+]2)cc1 31891114 343094195 /nfs/dbraw/zinc/09/41/95/343094195.db2.gz QYLKOBLBRLVHCG-UHFFFAOYSA-N 1 0 187.246 2.221 50 0 AEAARO CC[C@H]([NH3+])Cc1ccc(F)cc1 32006462 343095667 /nfs/dbraw/zinc/09/56/67/343095667.db2.gz ZMIKPURLVPIOCM-JTQLQIEISA-N 1 0 167.227 2.106 50 0 in-vitro AEAARO CC(C)c1[nH+]cc2ccccn12 32005974 343095358 /nfs/dbraw/zinc/09/53/58/343095358.db2.gz UKNYBXYMVNUSCG-UHFFFAOYSA-N 1 0 160.220 2.458 50 0 AEAARO CC1CCC(CC[NH3+])CC1 32005448 343095435 /nfs/dbraw/zinc/09/54/35/343095435.db2.gz QCSKBIWUXCCOHJ-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 AEAARO Cc1cccc(C[C@@H]([NH3+])C2CC2)c1 32006852 343096151 /nfs/dbraw/zinc/09/61/51/343096151.db2.gz UUOFPYZAPDEVGZ-GFCCVEGCSA-N 1 0 175.275 2.275 50 0 in-vitro AEAARO CC(C)[C@H]([NH3+])Cc1ccc(F)cc1 32007557 343096404 /nfs/dbraw/zinc/09/64/04/343096404.db2.gz SVBWBZKWTWNCMI-LLVKDONJSA-N 1 0 181.254 2.352 50 0 in-vitro AEAARO CC(C)[C@@H]([NH3+])Cc1ccc(F)cc1 32007556 343096504 /nfs/dbraw/zinc/09/65/04/343096504.db2.gz SVBWBZKWTWNCMI-NSHDSACASA-N 1 0 181.254 2.352 50 0 in-vitro AEAARO Cc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)cc1 32008413 343096810 /nfs/dbraw/zinc/09/68/10/343096810.db2.gz HPWKEMXFKJMAMD-PWSUYJOCSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccccc1[C@H]1C[NH2+][C@@H](C)CO1 32008382 343096673 /nfs/dbraw/zinc/09/66/73/343096673.db2.gz OLLIJLILAIMCRH-CMPLNLGQSA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1ccc([C@H]2C[NH2+]C[C@H](C)O2)cc1 32008418 343096678 /nfs/dbraw/zinc/09/66/78/343096678.db2.gz HPWKEMXFKJMAMD-CMPLNLGQSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccc([C@H]2C[NH2+]C[C@@H](C)O2)cc1 32008417 343096730 /nfs/dbraw/zinc/09/67/30/343096730.db2.gz HPWKEMXFKJMAMD-ZYHUDNBSSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccccc1[C@H]1C[NH2+][C@H](C)CO1 32008381 343096817 /nfs/dbraw/zinc/09/68/17/343096817.db2.gz OLLIJLILAIMCRH-ZYHUDNBSSA-N 1 0 191.274 2.044 50 0 in-vitro AEAARO Cc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)cc1 32008415 343096876 /nfs/dbraw/zinc/09/68/76/343096876.db2.gz HPWKEMXFKJMAMD-JQWIXIFHSA-N 1 0 191.274 2.044 50 0 AEAARO CC[C@H]([NH3+])[C@H](O)c1ccc(Cl)cc1 32009838 343097230 /nfs/dbraw/zinc/09/72/30/343097230.db2.gz GYXZLJYNWLGGLH-VHSXEESVSA-N 1 0 199.681 2.111 50 0 AEAARO CC[C@@H]([NH3+])[C@H](O)c1ccc(Cl)cc1 32009836 343097324 /nfs/dbraw/zinc/09/73/24/343097324.db2.gz GYXZLJYNWLGGLH-NXEZZACHSA-N 1 0 199.681 2.111 50 0 AEAARO Cc1cc(C)c2c(N)cc[nH+]c2c1 32099399 343097626 /nfs/dbraw/zinc/09/76/26/343097626.db2.gz FZSRMFQWMZKGCM-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO Cc1cc(N)c2ccc(F)cc2[nH+]1 32099431 343097720 /nfs/dbraw/zinc/09/77/20/343097720.db2.gz CPLVVEIHDBEPGG-UHFFFAOYSA-N 1 0 176.194 2.265 50 0 in-vitro AEAARO CCc1ccc2[nH+]ccc(N)c2c1 32099418 343097787 /nfs/dbraw/zinc/09/77/87/343097787.db2.gz QVBZMOLISBWGIW-UHFFFAOYSA-N 1 0 172.231 2.379 50 0 in-vitro AEAARO Cc1ccc2c(N)cc[nH+]c2c1C 32099422 343097895 /nfs/dbraw/zinc/09/78/95/343097895.db2.gz BWRQKOAAHRMZIV-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO Cc1cc(N)c2cccc(C)c2[nH+]1 32099239 343097908 /nfs/dbraw/zinc/09/79/08/343097908.db2.gz KKAHYNSPPVCKKU-UHFFFAOYSA-N 1 0 172.231 2.434 50 0 in-vitro AEAARO CCC[NH+](CC)CCC 32150981 343098515 /nfs/dbraw/zinc/09/85/15/343098515.db2.gz XWCCTMBMQUCLSI-UHFFFAOYSA-N 1 0 129.247 2.128 50 0 AEAARO CC[C@@H](Cc1ccccc1)[NH2+]C 32219208 343101238 /nfs/dbraw/zinc/10/12/38/343101238.db2.gz ONNVUALDGIKEIJ-NSHDSACASA-N 1 0 163.264 2.227 50 0 in-vitro AEAARO C[NH2+]C1CCC(C)(C)CC1 32218218 343101369 /nfs/dbraw/zinc/10/13/69/343101369.db2.gz DZLKSRBEYWGUNR-UHFFFAOYSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC1(C)N(O)c2ccccc2[N+]1=O 32220870 343101393 /nfs/dbraw/zinc/10/13/93/343101393.db2.gz SCJGHELLJQCCQJ-UHFFFAOYSA-N 1 0 179.199 2.042 50 0 AEAARO CC[C@@H]1CCCCN1CC[NH2+]C(C)C 32445527 343102137 /nfs/dbraw/zinc/10/21/37/343102137.db2.gz DFHGLJRVGDKWJM-GFCCVEGCSA-N 1 0 198.354 2.249 50 0 in-vitro AEAARO C[N@@H+]1CCC[C@H]2CCCC[C@H]21 32302707 343102199 /nfs/dbraw/zinc/10/21/99/343102199.db2.gz AAARTTJTRNAYHQ-NXEZZACHSA-N 1 0 153.269 2.271 50 0 AEAARO CC[C@H]1CCCCN1CC[NH2+]C(C)C 32445528 343102254 /nfs/dbraw/zinc/10/22/54/343102254.db2.gz DFHGLJRVGDKWJM-LBPRGKRZSA-N 1 0 198.354 2.249 50 0 in-vitro AEAARO CC(C)Cc1[nH]c2ccc(N)cc2[nH+]1 32500365 343102297 /nfs/dbraw/zinc/10/22/97/343102297.db2.gz RJLQCCDURNZGNW-UHFFFAOYSA-N 1 0 189.262 2.344 50 0 AEAARO Cc1ccc(-c2cc(C[NH3+])on2)cc1 32627697 343102628 /nfs/dbraw/zinc/10/26/28/343102628.db2.gz JUJCHBGGAWBYHW-UHFFFAOYSA-N 1 0 188.230 2.109 50 0 in-vitro AEAARO C[C@H]1CCCC[N@@H+]1Cc1ccncc1 32627099 343102712 /nfs/dbraw/zinc/10/27/12/343102712.db2.gz DPAXLMQSSWVKQW-NSHDSACASA-N 1 0 190.290 2.456 50 0 in-vitro AEAARO CCCCS[C@@H](C)CC[NH3+] 32919815 343103858 /nfs/dbraw/zinc/10/38/58/343103858.db2.gz MJOKXMNJUVAMMB-QMMMGPOBSA-N 1 0 161.314 2.257 50 0 AEAARO CCCCS[C@H](C)CC[NH3+] 32919817 343103869 /nfs/dbraw/zinc/10/38/69/343103869.db2.gz MJOKXMNJUVAMMB-MRVPVSSYSA-N 1 0 161.314 2.257 50 0 AEAARO Cc1cccc(C(C)(C)C[NH3+])c1 33487047 343104948 /nfs/dbraw/zinc/10/49/48/343104948.db2.gz QOIWNUGQGPTFRQ-UHFFFAOYSA-N 1 0 163.264 2.231 50 0 in-vitro AEAARO Cc1csc(C2([NH3+])CCCC2)n1 33487358 343104983 /nfs/dbraw/zinc/10/49/83/343104983.db2.gz XBURDQJIFLAWCC-UHFFFAOYSA-N 1 0 182.292 2.180 50 0 in-vitro AEAARO Cc1cccc(C2=CC[NH2+]CC2)c1 33487551 343105219 /nfs/dbraw/zinc/10/52/19/343105219.db2.gz IGFTXVSSZNMDBA-UHFFFAOYSA-N 1 0 173.259 2.372 50 0 in-vitro AEAARO CC1(c2ccccc2)CC[NH2+]CC1 33607505 343105594 /nfs/dbraw/zinc/10/55/94/343105594.db2.gz WMZXPOYYJULZMD-UHFFFAOYSA-N 1 0 175.275 2.328 50 0 in-vitro AEAARO CC1(C)CCCC[C@@]1(C)[NH3+] 33610427 343105917 /nfs/dbraw/zinc/10/59/17/343105917.db2.gz FVCWZBVQRLEGDH-SECBINFHSA-N 1 0 141.258 2.304 50 0 AEAARO C[C@H]([NH3+])Cc1ccc2occc2c1 33978782 343108490 /nfs/dbraw/zinc/10/84/90/343108490.db2.gz VKUMKUZDZWHMQU-QMMMGPOBSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1ccccc1C 34099855 343110314 /nfs/dbraw/zinc/11/03/14/343110314.db2.gz HGENVWDJZZWESY-SNVBAGLBSA-N 1 0 149.237 2.405 50 0 in-vitro AEAARO Cc1ccc(S[C@H]2CC[NH2+]C2)cc1 34103773 343110531 /nfs/dbraw/zinc/11/05/31/343110531.db2.gz YWZVTGOSHIRQOP-NSHDSACASA-N 1 0 193.315 2.449 50 0 AEAARO Cc1ccc(S[C@@H]2CC[NH2+]C2)cc1 34103772 343110624 /nfs/dbraw/zinc/11/06/24/343110624.db2.gz YWZVTGOSHIRQOP-LLVKDONJSA-N 1 0 193.315 2.449 50 0 AEAARO C[C@H]1C[NH2+]CC[C@H]1c1ccccc1 34113770 343110978 /nfs/dbraw/zinc/11/09/78/343110978.db2.gz HFEXFNQMPMZRKF-CMPLNLGQSA-N 1 0 175.275 2.400 50 0 AEAARO [NH3+][C@@H]1COc2ccc3ccccc3c2C1 34180417 343112762 /nfs/dbraw/zinc/11/27/62/343112762.db2.gz VYEQPXFVMANMEE-JTQLQIEISA-N 1 0 199.253 2.102 50 0 AEAARO [NH3+][C@H]1COc2ccc3ccccc3c2C1 34180419 343112765 /nfs/dbraw/zinc/11/27/65/343112765.db2.gz VYEQPXFVMANMEE-SNVBAGLBSA-N 1 0 199.253 2.102 50 0 AEAARO Cc1cc([C@H](C)[NH3+])ccc1F 34193531 343113383 /nfs/dbraw/zinc/11/33/83/343113383.db2.gz JBEYNOQDGHMKQW-ZETCQYMHSA-N 1 0 153.200 2.154 50 0 in-vitro AEAARO Cc1cc([C@@H](C)[NH3+])ccc1F 34193529 343113413 /nfs/dbraw/zinc/11/34/13/343113413.db2.gz JBEYNOQDGHMKQW-SSDOTTSWSA-N 1 0 153.200 2.154 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1cccc2ccoc12 34278960 343115665 /nfs/dbraw/zinc/11/56/65/343115665.db2.gz YVMDMFRZSDUZLK-QMMMGPOBSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO C[C@H]([NH3+])Cc1cccc2occc12 34278958 343115723 /nfs/dbraw/zinc/11/57/23/343115723.db2.gz XROLBZOMVNMIFN-QMMMGPOBSA-N 1 0 175.231 2.323 50 0 in-vitro AEAARO CC1=[N+](C)c2ccc(O)cc2C1(C)C 34361696 343117489 /nfs/dbraw/zinc/11/74/89/343117489.db2.gz ZHTOFOXTKHMBCY-UHFFFAOYSA-O 1 0 190.266 2.418 50 0 AEAARO C[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 34581460 343122494 /nfs/dbraw/zinc/12/24/94/343122494.db2.gz FJRLSRUBXMUSOC-OPRDCNLKSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@H]1[NH2+]CCc2cc(F)ccc21 34604244 343123535 /nfs/dbraw/zinc/12/35/35/343123535.db2.gz KTNPPQVJTQBKFY-SSDOTTSWSA-N 1 0 165.211 2.032 50 0 in-vitro AEAARO CCC(CC)(CC)C[NH3+] 34751464 343124876 /nfs/dbraw/zinc/12/48/76/343124876.db2.gz ZSUSGBQRHRZDAP-UHFFFAOYSA-N 1 0 129.247 2.162 50 0 in-vitro AEAARO C[C@@]1([NH3+])CCCc2ccccc21 34798148 343125095 /nfs/dbraw/zinc/12/50/95/343125095.db2.gz JUIZVGNNUOJFDZ-LLVKDONJSA-N 1 0 161.248 2.197 50 0 in-vitro AEAARO C[N@@H+]1Cc2ccccc2C(C)(C)C1 34791142 343125110 /nfs/dbraw/zinc/12/51/10/343125110.db2.gz NXWCADWOSRWCSA-UHFFFAOYSA-N 1 0 175.275 2.410 50 0 AEAARO C[C@H]1CCC[C@@H](C)N1C[C@H]1CCC[NH2+]1 34792258 343125184 /nfs/dbraw/zinc/12/51/84/343125184.db2.gz IKSMAKBWWFHGQO-GRYCIOLGSA-N 1 0 196.338 2.001 50 0 in-vitro AEAARO C[C@]1([NH3+])CCCc2ccccc21 34798147 343125252 /nfs/dbraw/zinc/12/52/52/343125252.db2.gz JUIZVGNNUOJFDZ-NSHDSACASA-N 1 0 161.248 2.197 50 0 in-vitro AEAARO CC1CC[NH+](C(C)C)CC1 34924893 343125509 /nfs/dbraw/zinc/12/55/09/343125509.db2.gz IGCABXIFWGCNDH-UHFFFAOYSA-N 1 0 141.258 2.127 50 0 AEAARO Cc1ccc2nc(C[NH3+])ccc2c1 34929131 343125897 /nfs/dbraw/zinc/12/58/97/343125897.db2.gz BQBFGLGURDBSPO-UHFFFAOYSA-N 1 0 172.231 2.002 50 0 AEAARO CCCC[C@H](CC)C[NH2+]C 34938229 343125907 /nfs/dbraw/zinc/12/59/07/343125907.db2.gz AVJRDBHYLUZPBA-VIFPVBQESA-N 1 0 143.274 2.422 50 0 AEAARO CCCC[C@@H](CC)C[NH2+]C 34938228 343126077 /nfs/dbraw/zinc/12/60/77/343126077.db2.gz AVJRDBHYLUZPBA-SECBINFHSA-N 1 0 143.274 2.422 50 0 AEAARO CCC[NH2+]Cc1cccc(F)c1F 35054714 343127425 /nfs/dbraw/zinc/12/74/25/343127425.db2.gz XTRXIRPFJHTVLT-UHFFFAOYSA-N 1 0 185.217 2.464 50 0 AEAARO C[C@H]([NH2+]Cc1ccc(O)cc1)C1CC1 35136362 343128699 /nfs/dbraw/zinc/12/86/99/343128699.db2.gz YULPHYARBUTMAS-VIFPVBQESA-N 1 0 191.274 2.280 50 0 AEAARO Cc1noc(C)c1C[NH2+][C@H](C)C1CC1 35136701 343128900 /nfs/dbraw/zinc/12/89/00/343128900.db2.gz XVXMWFVNNZSFDA-SSDOTTSWSA-N 1 0 194.278 2.180 50 0 AEAARO Cc1noc(C)c1C[NH2+][C@@H](C)C1CC1 35136699 343129030 /nfs/dbraw/zinc/12/90/30/343129030.db2.gz XVXMWFVNNZSFDA-ZETCQYMHSA-N 1 0 194.278 2.180 50 0 AEAARO Cc1ccc([C@@H]2[NH2+]CCS2)s1 35504624 343133245 /nfs/dbraw/zinc/13/32/45/343133245.db2.gz WDAVZGAZAQLSBN-MRVPVSSYSA-N 1 0 185.317 2.392 50 0 AEAARO Cc1ccc([C@H]2[NH2+]CCS2)s1 35504628 343133372 /nfs/dbraw/zinc/13/33/72/343133372.db2.gz WDAVZGAZAQLSBN-QMMMGPOBSA-N 1 0 185.317 2.392 50 0 AEAARO CC(C)CSCCCC[NH3+] 35721860 343137279 /nfs/dbraw/zinc/13/72/79/343137279.db2.gz GAUBFTFOBIDMAR-UHFFFAOYSA-N 1 0 161.314 2.115 50 0 AEAARO Cc1cccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])c1 36056697 343140348 /nfs/dbraw/zinc/14/03/48/343140348.db2.gz CVLBTLKIZRFOFZ-USWWRNFRSA-N 1 0 175.275 2.446 50 0 in-vitro AEAARO CCC[NH2+]CCc1cccc(F)c1 36154472 343140371 /nfs/dbraw/zinc/14/03/71/343140371.db2.gz ZIUJDDJUZGZVOO-UHFFFAOYSA-N 1 0 181.254 2.368 50 0 in-vitro AEAARO CCC1CCC(C[NH3+])CC1 36379741 343144814 /nfs/dbraw/zinc/14/48/14/343144814.db2.gz NYZHAHHOBPMFSC-UHFFFAOYSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO Cc1cc(C)c2c([nH+]1)NCCC2 36381076 343145034 /nfs/dbraw/zinc/14/50/34/343145034.db2.gz DXIRHDQUVVQLGI-UHFFFAOYSA-N 1 0 162.236 2.057 50 0 AEAARO Cc1ccc([C@@H]([NH3+])c2ccccn2)cc1 36438571 343145556 /nfs/dbraw/zinc/14/55/56/343145556.db2.gz QMZJADVJDRSQAP-CYBMUJFWSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO Cc1ccc([C@H]([NH3+])c2ccccn2)cc1 36438570 343145651 /nfs/dbraw/zinc/14/56/51/343145651.db2.gz QMZJADVJDRSQAP-ZDUSSCGKSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO CC1(C)C[NH+]=CN[C@H]1c1ccccc1 36459249 343146303 /nfs/dbraw/zinc/14/63/03/343146303.db2.gz YBWCYSFSGHUFBG-NSHDSACASA-N 1 0 188.274 2.385 50 0 AEAARO CCc1cccc2c1OCC[C@@H]2[NH3+] 36669233 343147048 /nfs/dbraw/zinc/14/70/48/343147048.db2.gz NRBGQXPNOFAEMV-JTQLQIEISA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO CCc1cccc2c1OCC[C@H]2[NH3+] 36669235 343147180 /nfs/dbraw/zinc/14/71/80/343147180.db2.gz NRBGQXPNOFAEMV-SNVBAGLBSA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO CC[C@](C)([NH3+])c1ncc(C)s1 36761868 343149435 /nfs/dbraw/zinc/14/94/35/343149435.db2.gz XOIBHJHOCXLRAJ-QMMMGPOBSA-N 1 0 170.281 2.035 50 0 AEAARO CC[C@@](C)([NH3+])c1ncc(C)s1 36761869 343149479 /nfs/dbraw/zinc/14/94/79/343149479.db2.gz XOIBHJHOCXLRAJ-MRVPVSSYSA-N 1 0 170.281 2.035 50 0 AEAARO CCn1c(N)[nH+]c2cc(Cl)ccc21 36889665 343152852 /nfs/dbraw/zinc/15/28/52/343152852.db2.gz IENZKHQOAZUDKM-UHFFFAOYSA-N 1 0 195.653 2.292 50 0 in-vitro AEAARO Cc1ccc(C)c2c1OCC[C@@H]2[NH3+] 36928612 343154969 /nfs/dbraw/zinc/15/49/69/343154969.db2.gz WZWLBFFVAANRJP-VIFPVBQESA-N 1 0 177.247 2.086 50 0 AEAARO Cc1ccc(C)c2c1OCC[C@H]2[NH3+] 36928611 343154971 /nfs/dbraw/zinc/15/49/71/343154971.db2.gz WZWLBFFVAANRJP-SECBINFHSA-N 1 0 177.247 2.086 50 0 AEAARO Cc1ccc2c(c1)[C@@H]([NH3+])CCS2 36928849 343155121 /nfs/dbraw/zinc/15/51/21/343155121.db2.gz TZWIMFKGHRPBNI-VIFPVBQESA-N 1 0 179.288 2.491 50 0 in-vitro AEAARO Cc1ccc2c(c1)[C@H]([NH3+])CCS2 36928848 343155133 /nfs/dbraw/zinc/15/51/33/343155133.db2.gz TZWIMFKGHRPBNI-SECBINFHSA-N 1 0 179.288 2.491 50 0 in-vitro AEAARO CCC[NH2+]Cc1cc(F)ccc1F 36947856 343155909 /nfs/dbraw/zinc/15/59/09/343155909.db2.gz ANBBRWKAUHKIGF-UHFFFAOYSA-N 1 0 185.217 2.464 50 0 AEAARO Cc1ccc(C[NH2+]C2CC2)cc1F 36947969 343156055 /nfs/dbraw/zinc/15/60/55/343156055.db2.gz IVCVGKHDCRRNLM-UHFFFAOYSA-N 1 0 179.238 2.386 50 0 AEAARO Cc1ccc(C2([NH3+])CCC2)cc1 36962350 343156313 /nfs/dbraw/zinc/15/63/13/343156313.db2.gz YUTFZXDXBJCMGY-UHFFFAOYSA-N 1 0 161.248 2.333 50 0 AEAARO Cc1ccc([C@H]2OCC[NH2+][C@H]2C)cc1 36965091 343156882 /nfs/dbraw/zinc/15/68/82/343156882.db2.gz NWNCIXFIIDVRKE-JQWIXIFHSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccc([C@@H]2OCC[NH2+][C@@H]2C)cc1 36965094 343156943 /nfs/dbraw/zinc/15/69/43/343156943.db2.gz NWNCIXFIIDVRKE-ZYHUDNBSSA-N 1 0 191.274 2.044 50 0 AEAARO Cc1ccc([C@H]2OCC[NH2+][C@@H]2C)cc1 36965093 343156948 /nfs/dbraw/zinc/15/69/48/343156948.db2.gz NWNCIXFIIDVRKE-PWSUYJOCSA-N 1 0 191.274 2.044 50 0 AEAARO C[C@H]1CCCC[N@@H+]1C1(CN)CCCC1 37008914 343157423 /nfs/dbraw/zinc/15/74/23/343157423.db2.gz ZVSMNJRHMJYPIX-NSHDSACASA-N 1 0 196.338 2.132 50 0 in-vitro AEAARO C[C@H]([NH3+])C(C)(C)c1ccccc1 37024133 343158021 /nfs/dbraw/zinc/15/80/21/343158021.db2.gz HVPWOEYQHJCIKP-VIFPVBQESA-N 1 0 163.264 2.311 50 0 in-vitro AEAARO C[N@H+](Cc1ccc(Cl)nc1)C1CC1 37081095 343158477 /nfs/dbraw/zinc/15/84/77/343158477.db2.gz LNLTZMGDKDERSX-UHFFFAOYSA-N 1 0 196.681 2.329 50 0 in-vitro AEAARO Cc1ccc2sc(C[NH3+])nc2c1 37204433 343162717 /nfs/dbraw/zinc/16/27/17/343162717.db2.gz BMLGUZWANSIWRN-UHFFFAOYSA-N 1 0 178.260 2.063 50 0 AEAARO CCCC[NH2+][C@@H]1CCCC[C@H]1OC 37198013 343162813 /nfs/dbraw/zinc/16/28/13/343162813.db2.gz MCSKHMANTFPMAO-GHMZBOCLSA-N 1 0 185.311 2.334 50 0 AEAARO Cc1ccc2sc(CC[NH3+])nc2c1 37204432 343162895 /nfs/dbraw/zinc/16/28/95/343162895.db2.gz KFDHRTHLDZZVBT-UHFFFAOYSA-N 1 0 192.287 2.106 50 0 AEAARO C[C@H]1CCC[C@@H]([NH+]2CCC(=O)CC2)C1 37255777 343164096 /nfs/dbraw/zinc/16/40/96/343164096.db2.gz JYZDQHHPRSMCHZ-WDEREUQCSA-N 1 0 195.306 2.230 50 0 in-vitro AEAARO CC[C@@H]1CCCCN1[C@@H]1CCC[NH2+]C1 37246899 343164195 /nfs/dbraw/zinc/16/41/95/343164195.db2.gz BRUXPGUKBGQGAT-VXGBXAGGSA-N 1 0 196.338 2.003 50 0 AEAARO CN(C1CCCCC1)[C@@H]1CCC[NH2+]C1 37246775 343164214 /nfs/dbraw/zinc/16/42/14/343164214.db2.gz KYVIWCAXQJCYPZ-GFCCVEGCSA-N 1 0 196.338 2.003 50 0 AEAARO CN(C1CCCCC1)[C@H]1CCC[NH2+]C1 37246777 343164235 /nfs/dbraw/zinc/16/42/35/343164235.db2.gz KYVIWCAXQJCYPZ-LBPRGKRZSA-N 1 0 196.338 2.003 50 0 AEAARO C[C@H]1CCC[C@H]([NH+]2CCC(=O)CC2)C1 37255773 343164305 /nfs/dbraw/zinc/16/43/05/343164305.db2.gz JYZDQHHPRSMCHZ-QWRGUYRKSA-N 1 0 195.306 2.230 50 0 in-vitro AEAARO CCC1([NH3+])CCCCC1 37376659 343166916 /nfs/dbraw/zinc/16/69/16/343166916.db2.gz FUCXRENHTUFVDM-UHFFFAOYSA-N 1 0 127.231 2.058 50 0 in-vitro AEAARO Cc1ccc([C@@H]2C[C@H]2[NH3+])cc1C 37381695 343167167 /nfs/dbraw/zinc/16/71/67/343167167.db2.gz KNIOVMIFMGBHCG-WDEREUQCSA-N 1 0 161.248 2.118 50 0 AEAARO Cc1ccc([C@H]2C[C@@H]2[NH3+])cc1C 37381692 343167269 /nfs/dbraw/zinc/16/72/69/343167269.db2.gz KNIOVMIFMGBHCG-MNOVXSKESA-N 1 0 161.248 2.118 50 0 AEAARO C[C@]([NH3+])(Cc1ccccc1)C1CC1 37380494 343167302 /nfs/dbraw/zinc/16/73/02/343167302.db2.gz FLLISMAOJRFEJL-LBPRGKRZSA-N 1 0 175.275 2.357 50 0 AEAARO CCC([NH3+])(CC)C(C)C 37380372 343167360 /nfs/dbraw/zinc/16/73/60/343167360.db2.gz YTPRVVDCUTYZJR-UHFFFAOYSA-N 1 0 129.247 2.160 50 0 AEAARO Cc1ccc([C@@H]2C[C@@H]2[NH3+])cc1C 37381689 343167365 /nfs/dbraw/zinc/16/73/65/343167365.db2.gz KNIOVMIFMGBHCG-QWRGUYRKSA-N 1 0 161.248 2.118 50 0 AEAARO CCCC[C@H]([NH3+])CCC 37408559 343167582 /nfs/dbraw/zinc/16/75/82/343167582.db2.gz PSBKYMODPYHLAW-MRVPVSSYSA-N 1 0 129.247 2.304 50 0 in-vitro AEAARO CC[C@@H]1[NH2+]CCO[C@H]1c1ccccc1 37405139 343167630 /nfs/dbraw/zinc/16/76/30/343167630.db2.gz DOMAVIHZFHQQHF-RYUDHWBXSA-N 1 0 191.274 2.126 50 0 AEAARO CCCC[C@@H]([NH3+])CCC 37408560 343167643 /nfs/dbraw/zinc/16/76/43/343167643.db2.gz PSBKYMODPYHLAW-QMMMGPOBSA-N 1 0 129.247 2.304 50 0 in-vitro AEAARO CC[C@@H]1[NH2+]CCO[C@@H]1c1ccccc1 37405141 343167838 /nfs/dbraw/zinc/16/78/38/343167838.db2.gz DOMAVIHZFHQQHF-NWDGAFQWSA-N 1 0 191.274 2.126 50 0 AEAARO CC[C@H]1[NH2+]CCO[C@@H]1c1ccccc1 37405140 343167855 /nfs/dbraw/zinc/16/78/55/343167855.db2.gz DOMAVIHZFHQQHF-VXGBXAGGSA-N 1 0 191.274 2.126 50 0 AEAARO CC[C@@](C)([NH3+])c1ccc(F)cc1 37415645 343168348 /nfs/dbraw/zinc/16/83/48/343168348.db2.gz LYEOJKPRBJCOTD-SNVBAGLBSA-N 1 0 167.227 2.410 50 0 in-vitro AEAARO Cc1cccc([C@H]([NH3+])c2ccccn2)c1 37466321 343169483 /nfs/dbraw/zinc/16/94/83/343169483.db2.gz WVFDOYUFYUNJTM-ZDUSSCGKSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO Cc1cccc([C@@H]([NH3+])c2ccccn2)c1 37466323 343169596 /nfs/dbraw/zinc/16/95/96/343169596.db2.gz WVFDOYUFYUNJTM-CYBMUJFWSA-N 1 0 198.269 2.438 50 0 in-vitro AEAARO CC[C@@H]([NH3+])c1cccc(C)c1 37466904 343169621 /nfs/dbraw/zinc/16/96/21/343169621.db2.gz SZJIHSSKEPYVBG-SNVBAGLBSA-N 1 0 149.237 2.405 50 0 AEAARO CCC(CC)[NH2+][C@H]1CCCC[C@@H]1O 37490740 343172102 /nfs/dbraw/zinc/17/21/02/343172102.db2.gz GGTMVHIRPRQMJX-QWRGUYRKSA-N 1 0 185.311 2.068 50 0 AEAARO C[NH2+]C1CC(c2ccccc2)C1 37506650 343172501 /nfs/dbraw/zinc/17/25/01/343172501.db2.gz NGQQSJCHKKZSJQ-UHFFFAOYSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO CCC[N@H+](C)C[C@H](O)c1ccccc1 37693942 343175199 /nfs/dbraw/zinc/17/51/99/343175199.db2.gz KIPKIWWUICXYSM-LBPRGKRZSA-N 1 0 193.290 2.062 50 0 AEAARO CCC[N@H+](C)C[C@@H](O)c1ccccc1 37693943 343175242 /nfs/dbraw/zinc/17/52/42/343175242.db2.gz KIPKIWWUICXYSM-GFCCVEGCSA-N 1 0 193.290 2.062 50 0 AEAARO CCCC[NH2+]CCOc1ccccc1 37854919 343178947 /nfs/dbraw/zinc/17/89/47/343178947.db2.gz ZLSMMWYMLSWCKW-UHFFFAOYSA-N 1 0 193.290 2.455 50 0 AEAARO Cc1ncsc1C[NH2+]C1CCCC1 37927314 343182254 /nfs/dbraw/zinc/18/22/54/343182254.db2.gz IAMCNJNATTUEDS-UHFFFAOYSA-N 1 0 196.319 2.484 50 0 AEAARO Cc1cc(C[NH2+]C2CC2)ccc1F 38071661 343183946 /nfs/dbraw/zinc/18/39/46/343183946.db2.gz GJMFIZDVTFMDIP-UHFFFAOYSA-N 1 0 179.238 2.386 50 0 AEAARO Cc1cc(C)cc(C[C@@H](C)[NH3+])c1 38077370 343184248 /nfs/dbraw/zinc/18/42/48/343184248.db2.gz GQTBQUZZFQMYHK-SNVBAGLBSA-N 1 0 163.264 2.193 50 0 in-vitro AEAARO CC[C@H](C)[NH2+][C@@H](CO)c1ccccc1 38116345 343184810 /nfs/dbraw/zinc/18/48/10/343184810.db2.gz VRNCZIFXNYZBBD-JQWIXIFHSA-N 1 0 193.290 2.108 50 0 AEAARO CC[C@H](C)[NH2+][C@H](CO)c1ccccc1 38116347 343184892 /nfs/dbraw/zinc/18/48/92/343184892.db2.gz VRNCZIFXNYZBBD-CMPLNLGQSA-N 1 0 193.290 2.108 50 0 AEAARO Cc1c(C[NH3+])oc2ccc(F)cc12 38342440 343187519 /nfs/dbraw/zinc/18/75/19/343187519.db2.gz CZKCOEWIKMELRA-UHFFFAOYSA-N 1 0 179.194 2.339 50 0 in-vitro AEAARO Cc1c(C[NH3+])cccc1C(F)(F)F 38529679 343188983 /nfs/dbraw/zinc/18/89/83/343188983.db2.gz WXYVXJSOJCMWGN-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 AEAARO Cc1ccc(C(F)(F)F)c(C[NH3+])c1 38530018 343189017 /nfs/dbraw/zinc/18/90/17/343189017.db2.gz LDYZJNWJFZYWKD-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 AEAARO Cc1ccc(C(F)(F)F)cc1C[NH3+] 38529582 343189032 /nfs/dbraw/zinc/18/90/32/343189032.db2.gz HMXXLXYKISLYDT-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 AEAARO CC[C@@H]([NH3+])C1Cc2ccccc2C1 38853569 343191053 /nfs/dbraw/zinc/19/10/53/343191053.db2.gz FPLRSVLVTJHGOC-GFCCVEGCSA-N 1 0 175.275 2.139 50 0 AEAARO C[C@@]1(c2ccccc2)CCC[NH2+]1 38949175 343192259 /nfs/dbraw/zinc/19/22/59/343192259.db2.gz ITJABDJLKCWTDJ-NSHDSACASA-N 1 0 161.248 2.285 50 0 in-vitro AEAARO C[C@]1(c2ccccc2)CCC[NH2+]1 38949173 343192369 /nfs/dbraw/zinc/19/23/69/343192369.db2.gz ITJABDJLKCWTDJ-LLVKDONJSA-N 1 0 161.248 2.285 50 0 in-vitro AEAARO C[NH2+]C1CCC(C(C)C)CC1 39103328 343198581 /nfs/dbraw/zinc/19/85/81/343198581.db2.gz UARAHYFNYJKOGL-UHFFFAOYSA-N 1 0 155.285 2.421 50 0 in-vitro AEAARO C[C@H]([NH3+])[C@H]1CCCc2ccccc21 39111409 343199171 /nfs/dbraw/zinc/19/91/71/343199171.db2.gz JBAVTFHQSFAWBO-GXSJLCMTSA-N 1 0 175.275 2.454 50 0 AEAARO C[C@H]([NH3+])[C@@H]1CCCc2ccccc21 39111407 343199263 /nfs/dbraw/zinc/19/92/63/343199263.db2.gz JBAVTFHQSFAWBO-ONGXEEELSA-N 1 0 175.275 2.454 50 0 AEAARO CC1(C)CCC[C@@H]2C[NH2+]CC[C@H]21 39184861 343205320 /nfs/dbraw/zinc/20/53/20/343205320.db2.gz JNHARZXWGWTSDT-NXEZZACHSA-N 1 0 167.296 2.422 50 0 AEAARO CC1(C)CCC(C)(C)[NH2+]C1 39319496 343210280 /nfs/dbraw/zinc/21/02/80/343210280.db2.gz UHNYTSYXSSGCHN-UHFFFAOYSA-N 1 0 141.258 2.175 50 0 AEAARO C[C@H]1[NH2+]CCc2ccc(F)cc21 39366071 343211262 /nfs/dbraw/zinc/21/12/62/343211262.db2.gz BVLWMCKKBJGKBK-SSDOTTSWSA-N 1 0 165.211 2.032 50 0 in-vitro AEAARO CC(C)[C@@H]1CCCC[C@H]1[NH3+] 39398642 343211805 /nfs/dbraw/zinc/21/18/05/343211805.db2.gz IUUHHWALHWRYPY-DTWKUNHWSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC(C)[C@H]1CCCC[C@@H]1[NH3+] 39398641 343211853 /nfs/dbraw/zinc/21/18/53/343211853.db2.gz IUUHHWALHWRYPY-BDAKNGLRSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CCC1(CC)CCC[NH2+]C1 39397625 343211937 /nfs/dbraw/zinc/21/19/37/343211937.db2.gz VDUWZZPSIPFMAC-UHFFFAOYSA-N 1 0 141.258 2.176 50 0 AEAARO CC(C)[C@@H]1CCCC[C@@H]1[NH3+] 39398640 343212024 /nfs/dbraw/zinc/21/20/24/343212024.db2.gz IUUHHWALHWRYPY-IUCAKERBSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO C[NH2+]C(C)(C)c1ccccc1 39434355 343212742 /nfs/dbraw/zinc/21/27/42/343212742.db2.gz KLNAMUMXXCWVAL-UHFFFAOYSA-N 1 0 149.237 2.141 50 0 in-vitro AEAARO Cc1ccc(C[NH3+])cc1C(F)(F)F 39712995 343214078 /nfs/dbraw/zinc/21/40/78/343214078.db2.gz QPMGRSWJTRAJIK-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 AEAARO Cc1c(F)cccc1[C@@H](C)[NH3+] 39952075 343214342 /nfs/dbraw/zinc/21/43/42/343214342.db2.gz OBWHGEIVGSITLV-SSDOTTSWSA-N 1 0 153.200 2.154 50 0 AEAARO Cc1cccc([C@H](C)[NH3+])c1C 39952070 343214349 /nfs/dbraw/zinc/21/43/49/343214349.db2.gz BCMVLFXVTXOVBQ-VIFPVBQESA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1cccc(C)c1[C@@H](C)[NH3+] 39952069 343214383 /nfs/dbraw/zinc/21/43/83/343214383.db2.gz DBGFBJSZKVHNAC-SECBINFHSA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO Cc1cc(F)ccc1[C@@H](C)[NH3+] 39952078 343214399 /nfs/dbraw/zinc/21/43/99/343214399.db2.gz PQULUYWADYJNDJ-SSDOTTSWSA-N 1 0 153.200 2.154 50 0 AEAARO Cc1cc(F)ccc1[C@H](C)[NH3+] 39952077 343214473 /nfs/dbraw/zinc/21/44/73/343214473.db2.gz PQULUYWADYJNDJ-ZETCQYMHSA-N 1 0 153.200 2.154 50 0 AEAARO Cc1cccc([C@@H](C)[NH3+])c1C 39952071 343214525 /nfs/dbraw/zinc/21/45/25/343214525.db2.gz BCMVLFXVTXOVBQ-SECBINFHSA-N 1 0 149.237 2.323 50 0 in-vitro AEAARO C[C@H]([NH3+])c1c(F)cccc1Cl 39952106 343214577 /nfs/dbraw/zinc/21/45/77/343214577.db2.gz WLQXZWHHERXWHA-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO Cc1cc(C[N@H+]2CCCC[C@H]2C)on1 40013575 343214741 /nfs/dbraw/zinc/21/47/41/343214741.db2.gz OHZQMYKXUKUHGL-SNVBAGLBSA-N 1 0 194.278 2.357 50 0 AEAARO Cc1cc(C[N@H+]2CCC[C@@H](C)C2)on1 40013567 343214790 /nfs/dbraw/zinc/21/47/90/343214790.db2.gz SUOJFBJOAUTTOI-SECBINFHSA-N 1 0 194.278 2.215 50 0 AEAARO Cc1cc(C[N@H+]2CCCC[C@@H]2C)on1 40013573 343214842 /nfs/dbraw/zinc/21/48/42/343214842.db2.gz OHZQMYKXUKUHGL-JTQLQIEISA-N 1 0 194.278 2.357 50 0 AEAARO Cc1cc(C[NH+]2CCC(C)CC2)on1 40013571 343214868 /nfs/dbraw/zinc/21/48/68/343214868.db2.gz UTXSOMZBYJJHOG-UHFFFAOYSA-N 1 0 194.278 2.215 50 0 AEAARO Cc1cc(C[N@H+]2CCC[C@H](C)C2)no1 39985793 343214885 /nfs/dbraw/zinc/21/48/85/343214885.db2.gz FKIOCZKGKVNSNW-VIFPVBQESA-N 1 0 194.278 2.215 50 0 AEAARO Cc1cc(C[N@H+]2CCCC[C@H]2C)no1 39985826 343214974 /nfs/dbraw/zinc/21/49/74/343214974.db2.gz OXNZQDHNVHQVQX-SECBINFHSA-N 1 0 194.278 2.357 50 0 AEAARO Cc1cc(C[N@H+]2CCC[C@@H](C)C2)no1 39985794 343214987 /nfs/dbraw/zinc/21/49/87/343214987.db2.gz FKIOCZKGKVNSNW-SECBINFHSA-N 1 0 194.278 2.215 50 0 AEAARO Cc1cc(C)c2c([nH+]1)CCCN2 40165658 343215484 /nfs/dbraw/zinc/21/54/84/343215484.db2.gz XRRDQLXQFFVCHI-UHFFFAOYSA-N 1 0 162.236 2.057 50 0 AEAARO C[C@H]1CCCC[C@@H]1CC[NH3+] 40541325 343220295 /nfs/dbraw/zinc/22/02/95/343220295.db2.gz BXKLFCREVJPUJY-DTWKUNHWSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO C[C@H]1CCCC[C@H]1CC[NH3+] 40541329 343220301 /nfs/dbraw/zinc/22/03/01/343220301.db2.gz BXKLFCREVJPUJY-IUCAKERBSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CCC(CC)[NH2+][C@@H](CO)CC(C)C 40773817 343223013 /nfs/dbraw/zinc/22/30/13/343223013.db2.gz YOVKECZSFKJZST-LLVKDONJSA-N 1 0 187.327 2.172 50 0 AEAARO CCc1nc(C)c([C@H](C)[NH2+]C)s1 40994195 343225056 /nfs/dbraw/zinc/22/50/56/343225056.db2.gz BXKICDINHVGKIJ-LURJTMIESA-N 1 0 184.308 2.294 50 0 in-vitro AEAARO CCc1nc(C)c([C@@H](C)[NH2+]C)s1 40994192 343225227 /nfs/dbraw/zinc/22/52/27/343225227.db2.gz BXKICDINHVGKIJ-ZCFIWIBFSA-N 1 0 184.308 2.294 50 0 in-vitro AEAARO Cc1cccc([C@H](C)C[NH3+])c1 41046990 343227027 /nfs/dbraw/zinc/22/70/27/343227027.db2.gz HAAKRJFFUVWYAE-SECBINFHSA-N 1 0 149.237 2.057 50 0 in-vitro AEAARO Cc1cccc([C@@H](C)C[NH3+])c1 41046989 343227191 /nfs/dbraw/zinc/22/71/91/343227191.db2.gz HAAKRJFFUVWYAE-VIFPVBQESA-N 1 0 149.237 2.057 50 0 in-vitro AEAARO CC[C@@](C)([NH3+])c1nc(C)cs1 41059531 343229758 /nfs/dbraw/zinc/22/97/58/343229758.db2.gz IENJVAGPJNDVCO-MRVPVSSYSA-N 1 0 170.281 2.035 50 0 in-vitro AEAARO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH3+] 41167929 343230832 /nfs/dbraw/zinc/23/08/32/343230832.db2.gz GPGHAZNTOBSQFP-WKEGUHRASA-N 1 0 165.211 2.018 50 0 in-vitro AEAARO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH3+] 41167926 343230860 /nfs/dbraw/zinc/23/08/60/343230860.db2.gz GPGHAZNTOBSQFP-QUBYGPBYSA-N 1 0 165.211 2.018 50 0 in-vitro AEAARO C[C@H](C[NH3+])c1cc(F)cc(F)c1 41168397 343230904 /nfs/dbraw/zinc/23/09/04/343230904.db2.gz YJZOCDWAOXJRTK-ZCFIWIBFSA-N 1 0 171.190 2.027 50 0 AEAARO Cc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)C2 41167710 343230907 /nfs/dbraw/zinc/23/09/07/343230907.db2.gz NMRCYNVWDPJOAC-GZMMTYOYSA-N 1 0 161.248 2.187 50 0 AEAARO Cc1ccc2c(c1)[C@H]([NH3+])[C@H](C)C2 41167707 343230987 /nfs/dbraw/zinc/23/09/87/343230987.db2.gz NMRCYNVWDPJOAC-LDYMZIIASA-N 1 0 161.248 2.187 50 0 AEAARO CC1(C)C[C@H]([NH3+])c2ccccc21 41167729 343231001 /nfs/dbraw/zinc/23/10/01/343231001.db2.gz FVTHKMZSEWUHSO-JTQLQIEISA-N 1 0 161.248 2.368 50 0 in-vitro AEAARO CC1(C)C[C@@H]([NH3+])c2ccccc21 41167731 343231104 /nfs/dbraw/zinc/23/11/04/343231104.db2.gz FVTHKMZSEWUHSO-SNVBAGLBSA-N 1 0 161.248 2.368 50 0 in-vitro AEAARO CC(C)[C@H]([NH3+])c1ccccc1F 41168120 343231135 /nfs/dbraw/zinc/23/11/35/343231135.db2.gz JYMISMQKZXSRIG-JTQLQIEISA-N 1 0 167.227 2.482 50 0 AEAARO Cc1ccc2c(c1)[C@@H]([NH3+])[C@H](C)C2 41167708 343231155 /nfs/dbraw/zinc/23/11/55/343231155.db2.gz NMRCYNVWDPJOAC-KCJUWKMLSA-N 1 0 161.248 2.187 50 0 AEAARO CC(C)[C@H](C[NH3+])Cc1ccccc1 41200003 343231485 /nfs/dbraw/zinc/23/14/85/343231485.db2.gz HJKKLLPDJVIPSF-LBPRGKRZSA-N 1 0 177.291 2.460 50 0 in-vitro AEAARO CCc1ccc(C(C)(C)C[NH3+])cc1 41200057 343231344 /nfs/dbraw/zinc/23/13/44/343231344.db2.gz XLIQTNAGWIWKCE-UHFFFAOYSA-N 1 0 177.291 2.485 50 0 in-vitro AEAARO CCc1ccc(C(=O)[C@H](C)[NH2+]C)cc1 41608880 343234868 /nfs/dbraw/zinc/23/48/68/343234868.db2.gz FUYPDKFWOHBUFT-VIFPVBQESA-N 1 0 191.274 2.040 50 0 in-vitro AEAARO CCc1ccc(C(=O)[C@@H](C)[NH2+]C)cc1 41608879 343234934 /nfs/dbraw/zinc/23/49/34/343234934.db2.gz FUYPDKFWOHBUFT-SECBINFHSA-N 1 0 191.274 2.040 50 0 in-vitro AEAARO C[C@H]([NH3+])c1csc(C2CC2)n1 41627831 343234991 /nfs/dbraw/zinc/23/49/91/343234991.db2.gz SUBNTGXHPLIXMA-YFKPBYRVSA-N 1 0 168.265 2.040 50 0 in-vitro AEAARO CCn1c(C)cc2c1CCC[C@@H]2[NH3+] 41726136 343236029 /nfs/dbraw/zinc/23/60/29/343236029.db2.gz HVTJBSNOUAPBEL-JTQLQIEISA-N 1 0 178.279 2.153 50 0 in-vitro AEAARO CC[C@H]1CCCC[C@@H]1[NH2+]C 42297098 343239961 /nfs/dbraw/zinc/23/99/61/343239961.db2.gz JXVOCMMENPUMMV-IUCAKERBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCCC[C@H]1CCC[C@@H]1[NH3+] 42397749 343241477 /nfs/dbraw/zinc/24/14/77/343241477.db2.gz SKBPHDIPQLGWNR-IUCAKERBSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CC(C)c1ccc(OC2C[NH2+]C2)cc1 42769998 343249234 /nfs/dbraw/zinc/24/92/34/343249234.db2.gz SBQBCRLQKMDNDN-UHFFFAOYSA-N 1 0 191.274 2.161 50 0 in-vitro AEAARO CCCCCOCC1CC[NH2+]CC1 42775961 343249258 /nfs/dbraw/zinc/24/92/58/343249258.db2.gz CSPMNUSNTOOVCM-UHFFFAOYSA-N 1 0 185.311 2.193 50 0 AEAARO CCCCOCC[C@@H]1CCC[NH2+]C1 42771749 343249315 /nfs/dbraw/zinc/24/93/15/343249315.db2.gz UEQUGOOXOXZCQN-NSHDSACASA-N 1 0 185.311 2.193 50 0 AEAARO CCCCCOC[C@H]1CCC[NH2+]C1 42775956 343249415 /nfs/dbraw/zinc/24/94/15/343249415.db2.gz KVVOVNZLQKYITG-NSHDSACASA-N 1 0 185.311 2.193 50 0 AEAARO CCCCCOC[C@@H]1CCC[NH2+]C1 42775953 343249474 /nfs/dbraw/zinc/24/94/74/343249474.db2.gz KVVOVNZLQKYITG-LLVKDONJSA-N 1 0 185.311 2.193 50 0 AEAARO CCC(CC)C[C@H]1CC[NH2+]C1 42784160 343249676 /nfs/dbraw/zinc/24/96/76/343249676.db2.gz OQHVZYFLWMHQSX-SNVBAGLBSA-N 1 0 155.285 2.422 50 0 AEAARO CC[C@H](C)C[C@@H]1CC[NH2+]C1 42784156 343249779 /nfs/dbraw/zinc/24/97/79/343249779.db2.gz DYHKMQCTLRRARG-IUCAKERBSA-N 1 0 141.258 2.032 50 0 AEAARO CCC(CC)C[C@@H]1CC[NH2+]C1 42784159 343249822 /nfs/dbraw/zinc/24/98/22/343249822.db2.gz OQHVZYFLWMHQSX-JTQLQIEISA-N 1 0 155.285 2.422 50 0 AEAARO CC[C@H](C)C[C@@H]1CCC[NH2+]C1 42784212 343249869 /nfs/dbraw/zinc/24/98/69/343249869.db2.gz RXLJWPBJOMNYEM-UWVGGRQHSA-N 1 0 155.285 2.422 50 0 AEAARO C[C@H]([NH3+])c1cc(F)c(F)c(F)c1 43392175 343251723 /nfs/dbraw/zinc/25/17/23/343251723.db2.gz QWYPAKQHZBBLFE-BYPYZUCNSA-N 1 0 175.153 2.124 50 0 AEAARO CC[C@H](C[NH3+])Oc1cccc(C)c1 43541583 343255108 /nfs/dbraw/zinc/25/51/08/343255108.db2.gz KTTBDZGHIHANNY-SNVBAGLBSA-N 1 0 179.263 2.111 50 0 AEAARO CC[C@H](C[NH3+])Oc1ccccc1C 43541589 343255137 /nfs/dbraw/zinc/25/51/37/343255137.db2.gz KOOMSEWWGRSAIE-SNVBAGLBSA-N 1 0 179.263 2.111 50 0 AEAARO CC[C@@H](C[NH3+])Oc1ccccc1C 43541588 343255173 /nfs/dbraw/zinc/25/51/73/343255173.db2.gz KOOMSEWWGRSAIE-JTQLQIEISA-N 1 0 179.263 2.111 50 0 AEAARO CC[C@@H](C[NH3+])Oc1cccc(C)c1 43541582 343255224 /nfs/dbraw/zinc/25/52/24/343255224.db2.gz KTTBDZGHIHANNY-JTQLQIEISA-N 1 0 179.263 2.111 50 0 AEAARO C[C@H]1CCC[C@H](CC[NH3+])C1 43559363 343255470 /nfs/dbraw/zinc/25/54/70/343255470.db2.gz BFZWLRTYKGGBFP-DTWKUNHWSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO C[C@H]1CCC[C@@H](CC[NH3+])C1 43559365 343255831 /nfs/dbraw/zinc/25/58/31/343255831.db2.gz BFZWLRTYKGGBFP-IUCAKERBSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO Fc1cc(F)cc([C@@H]2CC[NH2+]C2)c1 44135395 343261515 /nfs/dbraw/zinc/26/15/15/343261515.db2.gz NSNPKCDGEORKKV-SSDOTTSWSA-N 1 0 183.201 2.042 50 0 AEAARO Cc1ccc(C[NH3+])c(Cl)c1 44250011 343262731 /nfs/dbraw/zinc/26/27/31/343262731.db2.gz WPPROWZRWXCTSA-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO Cc1cc(C[NH3+])cc(C(F)(F)F)c1 44249925 343262861 /nfs/dbraw/zinc/26/28/61/343262861.db2.gz ZESXWCTWKWVJGM-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 AEAARO Cc1c(F)cccc1CCC[NH3+] 44280944 343263237 /nfs/dbraw/zinc/26/32/37/343263237.db2.gz QXOKCIICKSWPLU-UHFFFAOYSA-N 1 0 167.227 2.025 50 0 AEAARO CCc1cccc2c(CC[NH3+])c[nH]c12 44398233 343264598 /nfs/dbraw/zinc/26/45/98/343264598.db2.gz ADQYTLRLWUZVET-UHFFFAOYSA-N 1 0 188.274 2.232 50 0 in-vitro AEAARO C[C@H]([NH3+])CCCC(F)(F)F 44411693 343264943 /nfs/dbraw/zinc/26/49/43/343264943.db2.gz CVPCWYGEOMFJGE-YFKPBYRVSA-N 1 0 155.163 2.066 50 0 in-vitro AEAARO Cc1cc(F)ccc1C[C@H](C)[NH3+] 44460940 343265962 /nfs/dbraw/zinc/26/59/62/343265962.db2.gz SPUZCOUJPWSYHA-QMMMGPOBSA-N 1 0 167.227 2.024 50 0 AEAARO C[C@H]([NH3+])c1ccc(Cl)c(F)c1 44560041 343267484 /nfs/dbraw/zinc/26/74/84/343267484.db2.gz SRVZZCBLNXFARS-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO Cc1c(C[NH3+])oc2ccccc12 45206662 343271583 /nfs/dbraw/zinc/27/15/83/343271583.db2.gz YQVRDGMKWLESIP-UHFFFAOYSA-N 1 0 161.204 2.200 50 0 in-vitro AEAARO Cc1ccc([C@@H]2CC[NH2+]C2)c(C)c1 49805261 343276960 /nfs/dbraw/zinc/27/69/60/343276960.db2.gz XYJJNJMGKPBTGD-LLVKDONJSA-N 1 0 175.275 2.380 50 0 AEAARO Cc1cccnc1[C@@H]([NH3+])C(C)C 49850123 343277128 /nfs/dbraw/zinc/27/71/28/343277128.db2.gz UIAXRTSXHFFHTJ-VIFPVBQESA-N 1 0 164.252 2.046 50 0 in-vitro AEAARO CC[C@@H](C[NH3+])Oc1ccccc1Cl 49834093 343277169 /nfs/dbraw/zinc/27/71/69/343277169.db2.gz QKADNCAHLNNHCV-QMMMGPOBSA-N 1 0 199.681 2.456 50 0 in-vitro AEAARO CC[C@@H](C[NH3+])Oc1cccc(Cl)c1 49834105 343277300 /nfs/dbraw/zinc/27/73/00/343277300.db2.gz MXTOYOWIOYMYDL-VIFPVBQESA-N 1 0 199.681 2.456 50 0 in-vitro AEAARO CCc1csc([C@@](C)([NH3+])CC)n1 50181962 343279326 /nfs/dbraw/zinc/27/93/26/343279326.db2.gz KHPZVUCCSQSHRR-VIFPVBQESA-N 1 0 184.308 2.289 50 0 AEAARO CCc1csc([C@](C)([NH3+])CC)n1 50181961 343279412 /nfs/dbraw/zinc/27/94/12/343279412.db2.gz KHPZVUCCSQSHRR-SECBINFHSA-N 1 0 184.308 2.289 50 0 AEAARO CC(C)OC1(C[NH3+])CCCCC1 50483451 343283288 /nfs/dbraw/zinc/28/32/88/343283288.db2.gz XFWOKQPHSDKFGY-UHFFFAOYSA-N 1 0 171.284 2.073 50 0 in-vitro AEAARO Cc1cc(F)ccc1C[NH2+]C1CC1 50568981 343284949 /nfs/dbraw/zinc/28/49/49/343284949.db2.gz CLOOUCQESRVJBZ-UHFFFAOYSA-N 1 0 179.238 2.386 50 0 AEAARO CCc1cc(N)c2ccccc2[nH+]1 50868598 343286164 /nfs/dbraw/zinc/28/61/64/343286164.db2.gz HGZUBAHTVWPZJX-UHFFFAOYSA-N 1 0 172.231 2.379 50 0 AEAARO Cc1ccc(C[NH3+])c(OCC(C)C)c1 51580623 343289914 /nfs/dbraw/zinc/28/99/14/343289914.db2.gz ACRXMLIEPUCSQR-UHFFFAOYSA-N 1 0 193.290 2.489 50 0 in-vitro AEAARO Cc1ccc(C[NH3+])c(N2CCCC2)c1 51578546 343289939 /nfs/dbraw/zinc/28/99/39/343289939.db2.gz ZGDWZVJGBUZLEV-UHFFFAOYSA-N 1 0 190.290 2.054 50 0 in-vitro AEAARO Cc1ccc(C[NH3+])c(OC(C)C)c1 51580717 343290141 /nfs/dbraw/zinc/29/01/41/343290141.db2.gz LBVSUNJCJKFUTL-UHFFFAOYSA-N 1 0 179.263 2.241 50 0 in-vitro AEAARO CCC(CC)[C@@H]1CC[NH2+]C1 51690710 343291660 /nfs/dbraw/zinc/29/16/60/343291660.db2.gz UHXYYXBIULXIAA-SECBINFHSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO CCC(CC)[C@H]1CC[NH2+]C1 51690711 343291796 /nfs/dbraw/zinc/29/17/96/343291796.db2.gz UHXYYXBIULXIAA-VIFPVBQESA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO C[C@H]1[NH2+]CC[C@@H]1c1ccccc1 51953891 343296402 /nfs/dbraw/zinc/29/64/02/343296402.db2.gz JZLQMGWQLRCDIE-KOLCDFICSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO C[C@H]1[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 51953949 343296640 /nfs/dbraw/zinc/29/66/40/343296640.db2.gz OTMSVRWOJMNAQZ-APPZFPTMSA-N 1 0 197.228 2.430 50 0 AEAARO C[C@H]1[NH2+]CC[C@H]1c1ccccc1 51953889 343296663 /nfs/dbraw/zinc/29/66/63/343296663.db2.gz JZLQMGWQLRCDIE-MWLCHTKSSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO Cc1ccc([C@]2(C)CC[NH2+]C2)cc1 51955273 343297210 /nfs/dbraw/zinc/29/72/10/343297210.db2.gz FMQKRXSGCSHUJG-GFCCVEGCSA-N 1 0 175.275 2.246 50 0 in-vitro AEAARO C[C@H]1[NH2+]CC[C@@H]1Cc1ccccc1 51957213 343297290 /nfs/dbraw/zinc/29/72/90/343297290.db2.gz POPKDHUVIWNVDS-ZYHUDNBSSA-N 1 0 175.275 2.227 50 0 in-vitro AEAARO C[C@H]1[NH2+]CCc2c(F)cc(F)cc21 52095393 343300263 /nfs/dbraw/zinc/30/02/63/343300263.db2.gz YKETUYYYFULJKA-ZCFIWIBFSA-N 1 0 183.201 2.172 50 0 in-vitro AEAARO Cc1csc([C@@H]2CCCC[NH2+]2)n1 52099713 343300323 /nfs/dbraw/zinc/30/03/23/343300323.db2.gz YGWOBOKVVXFSGP-QMMMGPOBSA-N 1 0 182.292 2.266 50 0 in-vitro AEAARO Cc1csc([C@H]2CCCC[NH2+]2)n1 52099714 343300365 /nfs/dbraw/zinc/30/03/65/343300365.db2.gz YGWOBOKVVXFSGP-MRVPVSSYSA-N 1 0 182.292 2.266 50 0 in-vitro AEAARO C[C@]1(c2ccccc2Cl)C[C@H]1[NH3+] 52126482 343301082 /nfs/dbraw/zinc/30/10/82/343301082.db2.gz QKTFYTDULQXOHA-NXEZZACHSA-N 1 0 181.666 2.329 50 0 in-vitro AEAARO C[C@]1(c2ccccc2Cl)C[C@@H]1[NH3+] 52126480 343301103 /nfs/dbraw/zinc/30/11/03/343301103.db2.gz QKTFYTDULQXOHA-VHSXEESVSA-N 1 0 181.666 2.329 50 0 in-vitro AEAARO Cc1cccnc1[C@H]([NH3+])C(C)(C)C 52232266 343302689 /nfs/dbraw/zinc/30/26/89/343302689.db2.gz YYCWWTRKRRLKER-JTQLQIEISA-N 1 0 178.279 2.436 50 0 AEAARO Cc1cc(C[NH2+]CC(C)C)c(C)n1C 52789500 343307245 /nfs/dbraw/zinc/30/72/45/343307245.db2.gz KLSBGJBEWFONDO-UHFFFAOYSA-N 1 0 194.322 2.388 50 0 AEAARO C[C@H]([NH3+])c1ccc(-c2cncnc2)cc1 52886560 343311543 /nfs/dbraw/zinc/31/15/43/343311543.db2.gz AEJFWHRDKIKKDQ-VIFPVBQESA-N 1 0 199.257 2.163 50 0 in-vitro AEAARO C[NH2+]CCCC(C)(C)C 53301995 343314155 /nfs/dbraw/zinc/31/41/55/343314155.db2.gz JUSHSDMOQVMJDZ-UHFFFAOYSA-N 1 0 129.247 2.032 50 0 AEAARO Cc1cnc([C@H]2CCCC[NH2+]2)s1 54158978 343319053 /nfs/dbraw/zinc/31/90/53/343319053.db2.gz XCHXNLPEYKHWFK-MRVPVSSYSA-N 1 0 182.292 2.266 50 0 AEAARO CCC(C)(C)[C@@H]1CCC[NH2+]1 54402052 343323036 /nfs/dbraw/zinc/32/30/36/343323036.db2.gz ISCIHFDHYBPWIF-QMMMGPOBSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCC(C)(C)[C@H]1CCC[NH2+]1 54402053 343323165 /nfs/dbraw/zinc/32/31/65/343323165.db2.gz ISCIHFDHYBPWIF-MRVPVSSYSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO C[C@@]1(C[NH3+])CCCc2ccccc21 54637414 343327396 /nfs/dbraw/zinc/32/73/96/343327396.db2.gz SUIXJECFFZGKML-LBPRGKRZSA-N 1 0 175.275 2.239 50 0 AEAARO Cc1ccc(SC2C[NH2+]C2)cc1 54931747 343331496 /nfs/dbraw/zinc/33/14/96/343331496.db2.gz BYSYVHAXGXUBLE-UHFFFAOYSA-N 1 0 179.288 2.059 50 0 AEAARO CC[C@@H]([NH3+])C(=O)c1ccc(Cl)cc1 55466489 343336182 /nfs/dbraw/zinc/33/61/82/343336182.db2.gz PDNICASLNUMGMR-SECBINFHSA-N 1 0 197.665 2.260 50 0 AEAARO C[C@H](NC(C)(C)C[NH3+])c1ccccc1 57218617 343336792 /nfs/dbraw/zinc/33/67/92/343336792.db2.gz KQXCVPMSXIJIDD-JTQLQIEISA-N 1 0 192.306 2.075 50 0 in-vitro AEAARO CC1(c2ccccc2)CC([NH3+])C1 57218737 343336813 /nfs/dbraw/zinc/33/68/13/343336813.db2.gz VCMFTJDBMKLVMZ-UHFFFAOYSA-N 1 0 161.248 2.065 50 0 in-vitro AEAARO CC(C)[C@@H]1CCC[C@@H]([NH3+])C1 57218649 343336840 /nfs/dbraw/zinc/33/68/40/343336840.db2.gz LTCDIKCILSGJJD-RKDXNWHRSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC(C)[C@@H]1CCC[C@H]([NH3+])C1 57218647 343336842 /nfs/dbraw/zinc/33/68/42/343336842.db2.gz LTCDIKCILSGJJD-BDAKNGLRSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO Cc1cc(C)c2c(c1)C[NH2+]CCC2 57935910 343338018 /nfs/dbraw/zinc/33/80/18/343338018.db2.gz ANRMJQJNSYRJNG-UHFFFAOYSA-N 1 0 175.275 2.339 50 0 AEAARO Cc1cc2c(cc1F)C[NH2+]CCC2 57936218 343338066 /nfs/dbraw/zinc/33/80/66/343338066.db2.gz XDFFOYULQSWPJI-UHFFFAOYSA-N 1 0 179.238 2.170 50 0 AEAARO Cc1cc2c(cc1C)C[NH2+]CCC2 57935904 343338111 /nfs/dbraw/zinc/33/81/11/343338111.db2.gz OJNZNSQVLRRFHI-UHFFFAOYSA-N 1 0 175.275 2.339 50 0 AEAARO Cc1ccc2c(c1)C[NH2+]CC2(C)C 58038155 343338391 /nfs/dbraw/zinc/33/83/91/343338391.db2.gz RBGFTCPAEVUWGY-UHFFFAOYSA-N 1 0 175.275 2.376 50 0 in-vitro AEAARO Cc1cc(C)c(C(=O)[C@H](C)[NH3+])c(C)c1 58399572 343339618 /nfs/dbraw/zinc/33/96/18/343339618.db2.gz AHMUIJUZADHYHZ-JTQLQIEISA-N 1 0 191.274 2.142 50 0 AEAARO Cc1ccc2c(c1)C[NH2+]C(C)(C)C2 58518827 343340174 /nfs/dbraw/zinc/34/01/74/343340174.db2.gz IVXWTEAHNXPUCA-UHFFFAOYSA-N 1 0 175.275 2.419 50 0 AEAARO CC1(C)C[NH2+]Cc2cc(F)ccc21 58519339 343340369 /nfs/dbraw/zinc/34/03/69/343340369.db2.gz YSFMMYRGACQSHQ-UHFFFAOYSA-N 1 0 179.238 2.207 50 0 AEAARO CC1(C)C[NH2+]Cc2cccc(F)c21 58519342 343340482 /nfs/dbraw/zinc/34/04/82/343340482.db2.gz YNUBAVCYOPLLST-UHFFFAOYSA-N 1 0 179.238 2.207 50 0 AEAARO Cc1ccc(SC[C@@H](C)[NH3+])cc1 58824670 343341448 /nfs/dbraw/zinc/34/14/48/343341448.db2.gz YVFGOTMVMFCNNB-SECBINFHSA-N 1 0 181.304 2.434 50 0 in-vitro AEAARO CC1(C)C2CCC1(C[NH3+])CC2 60111557 343351148 /nfs/dbraw/zinc/35/11/48/343351148.db2.gz YQFPWSOMNJTJTF-UHFFFAOYSA-N 1 0 153.269 2.162 50 0 AEAARO Cc1cnc2cc(N)ccc2c1 60283604 343353056 /nfs/dbraw/zinc/35/30/56/343353056.db2.gz UVRSQUYBSAOHLL-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 AEAARO OCC[NH+]1CCC2(CCCCC2)CC1 61821108 343364474 /nfs/dbraw/zinc/36/44/74/343364474.db2.gz VACBAZWHUAEDHW-UHFFFAOYSA-N 1 0 197.322 2.025 50 0 AEAARO [NH3+]C1(c2ccc(F)cc2Cl)CC1 61847643 343365552 /nfs/dbraw/zinc/36/55/52/343365552.db2.gz HSXYMWHMEKDUJU-UHFFFAOYSA-N 1 0 185.629 2.427 50 0 AEAARO C[C@@]1(Cc2ccccc2)CC[NH2+]C1 62181490 343372487 /nfs/dbraw/zinc/37/24/87/343372487.db2.gz OIPKYGFIHKAGAC-LBPRGKRZSA-N 1 0 175.275 2.229 50 0 AEAARO CC(C)N1CC[NH2+]Cc2ccccc21 62567533 343376176 /nfs/dbraw/zinc/37/61/76/343376176.db2.gz JLDOHVIQBNBHBP-UHFFFAOYSA-N 1 0 190.290 2.005 50 0 in-vitro AEAARO C[C@H]([NH3+])C1(c2ccccc2)CCC1 62781605 343380249 /nfs/dbraw/zinc/38/02/49/343380249.db2.gz JNGVYSROFDKZSF-JTQLQIEISA-N 1 0 175.275 2.456 50 0 AEAARO C[C@H]([NH3+])c1ccc(Cl)cc1F 62785922 343380277 /nfs/dbraw/zinc/38/02/77/343380277.db2.gz SDXKAEMBENYOFO-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 AEAARO C[NH2+]CC1CCC(C)CC1 63145444 343402816 /nfs/dbraw/zinc/40/28/16/343402816.db2.gz YOWDIFFRPQPISZ-UHFFFAOYSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO C[C@H]1SCC[NH2+][C@@H]1c1ccccc1 68575711 343411306 /nfs/dbraw/zinc/41/13/06/343411306.db2.gz YLKRSWDSQCVVGY-KOLCDFICSA-N 1 0 193.315 2.453 50 0 in-vitro AEAARO CCc1ccc([C@H]2CCC[NH2+]2)o1 68575326 343411404 /nfs/dbraw/zinc/41/14/04/343411404.db2.gz IGFAXYMDKQJCBB-SECBINFHSA-N 1 0 165.236 2.267 50 0 in-vitro AEAARO Cc1cc(Cl)cc(C[NH3+])c1 67800144 343411424 /nfs/dbraw/zinc/41/14/24/343411424.db2.gz YIUQWUGXTNVAOV-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 AEAARO Cc1ccccc1[C@H]1C[NH2+][C@H](C)C1 68576639 343411693 /nfs/dbraw/zinc/41/16/93/343411693.db2.gz TZDTZINRPCSMRZ-GHMZBOCLSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO C[C@H]1C[C@H](c2ccc(F)cc2)C[NH2+]1 68576301 343411752 /nfs/dbraw/zinc/41/17/52/343411752.db2.gz NEEWUTFVPCPKGE-WPRPVWTQSA-N 1 0 179.238 2.291 50 0 AEAARO C[C@H]1[NH2+]CCc2cccc(F)c21 68576913 343411913 /nfs/dbraw/zinc/41/19/13/343411913.db2.gz ONTFHMXIFNPJDF-SSDOTTSWSA-N 1 0 165.211 2.032 50 0 in-vitro AEAARO CCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C 68577428 343411925 /nfs/dbraw/zinc/41/19/25/343411925.db2.gz LWQXKQVCJVERMY-ZJUUUORDSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CC(C)[C@H]1CCC[NH2+]CC1 68591899 343412160 /nfs/dbraw/zinc/41/21/60/343412160.db2.gz PERQRFSWSFUTEO-VIFPVBQESA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO Cc1cccc(OC[C@H]([NH3+])C2CC2)c1 68902119 343414415 /nfs/dbraw/zinc/41/44/15/343414415.db2.gz YROHOKGWMDIJJS-LBPRGKRZSA-N 1 0 191.274 2.111 50 0 AEAARO Cc1ccc(OC[C@H]([NH3+])C2CC2)cc1 68902447 343414728 /nfs/dbraw/zinc/41/47/28/343414728.db2.gz VBBNETIHJBVJRF-LBPRGKRZSA-N 1 0 191.274 2.111 50 0 AEAARO Cc1cccc(OC[C@@H]([NH3+])C2CC2)c1 68902125 343414730 /nfs/dbraw/zinc/41/47/30/343414730.db2.gz YROHOKGWMDIJJS-GFCCVEGCSA-N 1 0 191.274 2.111 50 0 AEAARO Fc1cccc(C[C@H]2CCC[NH2+]2)c1F 69841684 343444632 /nfs/dbraw/zinc/44/46/32/343444632.db2.gz JKXMEQNXDHFOQP-SECBINFHSA-N 1 0 197.228 2.259 50 0 AEAARO Fc1cccc(C[C@@H]2CCC[NH2+]2)c1F 69841681 343444736 /nfs/dbraw/zinc/44/47/36/343444736.db2.gz JKXMEQNXDHFOQP-VIFPVBQESA-N 1 0 197.228 2.259 50 0 AEAARO C[C@H]1CC[NH2+][C@@H](c2ccco2)C1 69940537 343456945 /nfs/dbraw/zinc/45/69/45/343456945.db2.gz CIBCBUOWFZOYNS-DTWKUNHWSA-N 1 0 165.236 2.340 50 0 in-vitro AEAARO C[C@H]1CC[NH2+][C@H](c2ccco2)C1 69940535 343457026 /nfs/dbraw/zinc/45/70/26/343457026.db2.gz CIBCBUOWFZOYNS-IUCAKERBSA-N 1 0 165.236 2.340 50 0 in-vitro AEAARO CCC(CC)c1cc(C[NH3+])on1 69970250 343461890 /nfs/dbraw/zinc/46/18/90/343461890.db2.gz PXAXBKKGHJIYHW-UHFFFAOYSA-N 1 0 168.240 2.037 50 0 in-vitro AEAARO CC1CC([NH3+])(c2ccccc2)C1 70068658 343473372 /nfs/dbraw/zinc/47/33/72/343473372.db2.gz BWKNLOUMYHHAPS-UHFFFAOYSA-N 1 0 161.248 2.271 50 0 AEAARO CC1CC([NH3+])(c2ccccc2F)C1 70068684 343473719 /nfs/dbraw/zinc/47/37/19/343473719.db2.gz KDTDXWAAAUSSIU-UHFFFAOYSA-N 1 0 179.238 2.410 50 0 AEAARO CCc1ccc(OCC[NH+](C)C)cc1 70234601 343485195 /nfs/dbraw/zinc/48/51/95/343485195.db2.gz FVICGTAIGPKMLR-UHFFFAOYSA-N 1 0 193.290 2.189 50 0 in-vitro AEAARO Cc1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1 70586619 343497712 /nfs/dbraw/zinc/49/77/12/343497712.db2.gz XVLMYNSFQWWMQV-JQWIXIFHSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO C[C@H]1C[C@H](c2ccsc2)C[NH2+]1 70586651 343497735 /nfs/dbraw/zinc/49/77/35/343497735.db2.gz LOHWQGFZYGZIOQ-CBAPKCEASA-N 1 0 167.277 2.214 50 0 in-vitro AEAARO Cc1ccc([C@H]2C[NH2+][C@H](C)C2)cc1 70586620 343497782 /nfs/dbraw/zinc/49/77/82/343497782.db2.gz XVLMYNSFQWWMQV-ZYHUDNBSSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO Cc1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1 70586618 343497805 /nfs/dbraw/zinc/49/78/05/343497805.db2.gz XVLMYNSFQWWMQV-CMPLNLGQSA-N 1 0 175.275 2.460 50 0 in-vitro AEAARO CC(C)Oc1ccc2c(c1)CC[NH2+]C2 70622127 343505622 /nfs/dbraw/zinc/50/56/22/343505622.db2.gz FRDFZXQDIJMKGA-UHFFFAOYSA-N 1 0 191.274 2.120 50 0 AEAARO CC[C@@H](COC)[NH2+]Cc1ccc(C)o1 70624385 343506639 /nfs/dbraw/zinc/50/66/39/343506639.db2.gz ILMZKQJLBVDHBU-JTQLQIEISA-N 1 0 197.278 2.103 50 0 AEAARO CC[C@H](COC)[NH2+]Cc1ccccc1 70623636 343506824 /nfs/dbraw/zinc/50/68/24/343506824.db2.gz VPAFNAYCPSWYKZ-GFCCVEGCSA-N 1 0 193.290 2.201 50 0 AEAARO CC[C@H](COC)[NH2+]Cc1ccc(C)o1 70624386 343506857 /nfs/dbraw/zinc/50/68/57/343506857.db2.gz ILMZKQJLBVDHBU-SNVBAGLBSA-N 1 0 197.278 2.103 50 0 AEAARO C[C@H](c1ccccc1)[C@H]1CC[NH2+]C1 70627865 343507623 /nfs/dbraw/zinc/50/76/23/343507623.db2.gz CVYCUUMRCKHGLO-PWSUYJOCSA-N 1 0 175.275 2.400 50 0 AEAARO c1ccc2c(c1)CC([C@@H]1CC[NH2+]C1)C2 70627742 343507786 /nfs/dbraw/zinc/50/77/86/343507786.db2.gz MLGFWDSKPJRVAW-GFCCVEGCSA-N 1 0 187.286 2.011 50 0 AEAARO c1ccc2c(c1)CC([C@H]1CC[NH2+]C1)C2 70627743 343507854 /nfs/dbraw/zinc/50/78/54/343507854.db2.gz MLGFWDSKPJRVAW-LBPRGKRZSA-N 1 0 187.286 2.011 50 0 AEAARO CC(C)[C@@H]1CC[C@H](C)[NH2+]C1 70632242 343510719 /nfs/dbraw/zinc/51/07/19/343510719.db2.gz UOYFVVSPLYUTDU-DTWKUNHWSA-N 1 0 141.258 2.031 50 0 AEAARO CC(C)[C@@H]1CC[C@@H](C)[NH2+]C1 70632241 343510767 /nfs/dbraw/zinc/51/07/67/343510767.db2.gz UOYFVVSPLYUTDU-RKDXNWHRSA-N 1 0 141.258 2.031 50 0 AEAARO CC(C)[C@H]1CC[C@H](C)[NH2+]C1 70632240 343510812 /nfs/dbraw/zinc/51/08/12/343510812.db2.gz UOYFVVSPLYUTDU-IUCAKERBSA-N 1 0 141.258 2.031 50 0 AEAARO CC(C)[C@H]1CC[C@@H](C)[NH2+]C1 70632238 343511105 /nfs/dbraw/zinc/51/11/05/343511105.db2.gz UOYFVVSPLYUTDU-BDAKNGLRSA-N 1 0 141.258 2.031 50 0 AEAARO CCCC[C@H]1CC[C@@H]([NH3+])C1 70636750 343512214 /nfs/dbraw/zinc/51/22/14/343512214.db2.gz NWCYLFJZMWUTIF-DTWKUNHWSA-N 1 0 141.258 2.304 50 0 AEAARO CCCC[C@@H]1CC[C@H]([NH3+])C1 70636745 343512172 /nfs/dbraw/zinc/51/21/72/343512172.db2.gz NWCYLFJZMWUTIF-BDAKNGLRSA-N 1 0 141.258 2.304 50 0 AEAARO CCCC[C@H]1CC[C@H]([NH3+])C1 70636746 343512274 /nfs/dbraw/zinc/51/22/74/343512274.db2.gz NWCYLFJZMWUTIF-IUCAKERBSA-N 1 0 141.258 2.304 50 0 AEAARO CCCC[C@@H]1CC[C@@H]([NH3+])C1 70636749 343512378 /nfs/dbraw/zinc/51/23/78/343512378.db2.gz NWCYLFJZMWUTIF-RKDXNWHRSA-N 1 0 141.258 2.304 50 0 AEAARO CC1(C)CCC[C@H](C[NH3+])C1 70651545 343519417 /nfs/dbraw/zinc/51/94/17/343519417.db2.gz LWKSMALURDOKBD-QMMMGPOBSA-N 1 0 141.258 2.162 50 0 AEAARO CC1(C)CCC[C@@H](C[NH3+])C1 70651546 343519495 /nfs/dbraw/zinc/51/94/95/343519495.db2.gz LWKSMALURDOKBD-MRVPVSSYSA-N 1 0 141.258 2.162 50 0 AEAARO Cc1ccc(OC(F)F)c(C[NH3+])c1 70954413 343543838 /nfs/dbraw/zinc/54/38/38/343543838.db2.gz RXPQQMNEZKRSKZ-UHFFFAOYSA-N 1 0 187.189 2.055 50 0 in-vitro AEAARO Cc1cc([C@@H](C)[NH3+])cc(C)c1F 71373473 343552221 /nfs/dbraw/zinc/55/22/21/343552221.db2.gz MBSSBFUSRJJSCI-MRVPVSSYSA-N 1 0 167.227 2.462 50 0 in-vitro AEAARO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH3+] 71489228 343554038 /nfs/dbraw/zinc/55/40/38/343554038.db2.gz YELZVMJJCGQUGO-WRWORJQWSA-N 1 0 179.238 2.408 50 0 in-vitro AEAARO C[C@H]1CCc2c(F)cccc2[C@H]1[NH3+] 71489232 343554228 /nfs/dbraw/zinc/55/42/28/343554228.db2.gz YELZVMJJCGQUGO-CPCISQLKSA-N 1 0 179.238 2.408 50 0 in-vitro AEAARO Cc1ccc(C2(C[NH3+])CC2)c(C)c1 71496945 343554686 /nfs/dbraw/zinc/55/46/86/343554686.db2.gz AGVVOOVYNQERPI-UHFFFAOYSA-N 1 0 175.275 2.294 50 0 AEAARO CC[C@H]([NH2+]C)C(=O)c1ccc(C)cc1 71505863 343554901 /nfs/dbraw/zinc/55/49/01/343554901.db2.gz ZOGGCQVVLHCLHY-NSHDSACASA-N 1 0 191.274 2.176 50 0 in-vitro AEAARO CC[C@@H]([NH2+]C)C(=O)c1ccc(C)cc1 71505864 343555196 /nfs/dbraw/zinc/55/51/96/343555196.db2.gz ZOGGCQVVLHCLHY-LLVKDONJSA-N 1 0 191.274 2.176 50 0 in-vitro AEAARO CC[C@H]([NH2+]C)C(=O)c1ccc(F)cc1 71507041 343555818 /nfs/dbraw/zinc/55/58/18/343555818.db2.gz NEZHKHMZNSFKGS-JTQLQIEISA-N 1 0 195.237 2.006 50 0 in-vitro AEAARO CC[C@@H]([NH2+]C)C(=O)c1ccc(F)cc1 71507042 343555938 /nfs/dbraw/zinc/55/59/38/343555938.db2.gz NEZHKHMZNSFKGS-SNVBAGLBSA-N 1 0 195.237 2.006 50 0 in-vitro AEAARO C[C@]1(c2ccccc2)[NH2+]CCS1 71785231 343558064 /nfs/dbraw/zinc/55/80/64/343558064.db2.gz XJJXLHLQVUIRFW-JTQLQIEISA-N 1 0 179.288 2.196 50 0 AEAARO C[C@@]1(c2ccccc2)[NH2+]CCS1 71785232 343558086 /nfs/dbraw/zinc/55/80/86/343558086.db2.gz XJJXLHLQVUIRFW-SNVBAGLBSA-N 1 0 179.288 2.196 50 0 AEAARO Cc1ccc(Cl)c(C[NH3+])c1 71792232 343558987 /nfs/dbraw/zinc/55/89/87/343558987.db2.gz LSGWYUKJBUIIKZ-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO CC[C@]1(C)CCC[NH2+]CC1 72284477 343568505 /nfs/dbraw/zinc/56/85/05/343568505.db2.gz QNGRDGNCWCJLJO-SECBINFHSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO CCCCO[C@@H]1C[C@H]([NH2+]C)C1(C)C 72266594 343568465 /nfs/dbraw/zinc/56/84/65/343568465.db2.gz CEDKRBZVHVWKPM-VHSXEESVSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCCCO[C@H]1C[C@H]([NH2+]C)C1(C)C 72266595 343568643 /nfs/dbraw/zinc/56/86/43/343568643.db2.gz CEDKRBZVHVWKPM-UWVGGRQHSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCCCO[C@H]1C[C@@H]([NH2+]C)C1(C)C 72266597 343568676 /nfs/dbraw/zinc/56/86/76/343568676.db2.gz CEDKRBZVHVWKPM-ZJUUUORDSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 72309480 343568999 /nfs/dbraw/zinc/56/89/99/343568999.db2.gz UGNHWQCRWIYFFU-YUMQZZPRSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO C[C@H]1CC(C)(C)CC[C@H]1[NH3+] 72309482 343569038 /nfs/dbraw/zinc/56/90/38/343569038.db2.gz UGNHWQCRWIYFFU-JGVFFNPUSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC[N@@H+]1Cc2ccccc2C[C@@H]1C 74450430 343572548 /nfs/dbraw/zinc/57/25/48/343572548.db2.gz OWGMZFPRAARRTA-JTQLQIEISA-N 1 0 175.275 2.453 50 0 AEAARO CC[N@@H+]1Cc2ccccc2C[C@H]1C 74450432 343572750 /nfs/dbraw/zinc/57/27/50/343572750.db2.gz OWGMZFPRAARRTA-SNVBAGLBSA-N 1 0 175.275 2.453 50 0 AEAARO CC(C)c1cc([C@H]2CCC[NH2+]C2)[nH]n1 74941700 343574743 /nfs/dbraw/zinc/57/47/43/343574743.db2.gz GYWURNRSYQPZNC-VIFPVBQESA-N 1 0 193.294 2.000 50 0 AEAARO C[C@H]([NH3+])c1cccc(N2CCCC2)c1 74941693 343574821 /nfs/dbraw/zinc/57/48/21/343574821.db2.gz AISTVZGIGYAOLQ-JTQLQIEISA-N 1 0 190.290 2.307 50 0 in-vitro AEAARO CC(C)c1cc([C@@H]2CCC[NH2+]C2)[nH]n1 74941698 343574984 /nfs/dbraw/zinc/57/49/84/343574984.db2.gz GYWURNRSYQPZNC-SECBINFHSA-N 1 0 193.294 2.000 50 0 AEAARO C[C@H]([NH3+])c1csc(Cl)c1 75085239 343575377 /nfs/dbraw/zinc/57/53/77/343575377.db2.gz SAQCVDJQOQOHIT-BYPYZUCNSA-N 1 0 161.657 2.421 50 0 AEAARO CCCC[C@@H]([NH3+])C1CCC1 75496561 343576634 /nfs/dbraw/zinc/57/66/34/343576634.db2.gz QRSWOXYRCCGZKY-SECBINFHSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCCC[C@H]([NH3+])C1CCC1 75496557 343576796 /nfs/dbraw/zinc/57/67/96/343576796.db2.gz QRSWOXYRCCGZKY-VIFPVBQESA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO C[C@H]1C[C@@H](C(C)(C)C)CC[NH2+]1 75542334 343577063 /nfs/dbraw/zinc/57/70/63/343577063.db2.gz CDJJBDNOINTHLQ-IUCAKERBSA-N 1 0 155.285 2.421 50 0 AEAARO C[C@H]([NH3+])[C@@H]1CC2CCC1CC2 75540485 343577291 /nfs/dbraw/zinc/57/72/91/343577291.db2.gz CXRZYSGSUFFRAW-NFTFJBJSSA-N 1 0 153.269 2.160 50 0 AEAARO C[C@H]1C[C@H](C(C)(C)C)CC[NH2+]1 75542331 343577306 /nfs/dbraw/zinc/57/73/06/343577306.db2.gz CDJJBDNOINTHLQ-DTWKUNHWSA-N 1 0 155.285 2.421 50 0 AEAARO C[C@H]([NH3+])[C@H]1CC2CCC1CC2 75540494 343577471 /nfs/dbraw/zinc/57/74/71/343577471.db2.gz CXRZYSGSUFFRAW-AUXWQGHOSA-N 1 0 153.269 2.160 50 0 AEAARO CC(C)n1cnc2ccc(C[NH3+])cc21 76208766 343579477 /nfs/dbraw/zinc/57/94/77/343579477.db2.gz WJJVWWGHKIEYLP-UHFFFAOYSA-N 1 0 189.262 2.076 50 0 AEAARO CCC[NH+]1CCC(F)(F)CC1 77011831 343579844 /nfs/dbraw/zinc/57/98/44/343579844.db2.gz ZWKQQVDONOMRAX-UHFFFAOYSA-N 1 0 163.211 2.128 50 0 AEAARO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ccccc1 76600918 343579859 /nfs/dbraw/zinc/57/98/59/343579859.db2.gz PVAFHOMOTYOYJU-QWRGUYRKSA-N 1 0 175.275 2.385 50 0 AEAARO C[C@H]1C[NH2+]C[C@@H]1c1ccccc1 76593974 343579936 /nfs/dbraw/zinc/57/99/36/343579936.db2.gz RNWURHRRQATWCP-ONGXEEELSA-N 1 0 161.248 2.010 50 0 in-vitro AEAARO C[C@H]1C[C@]1(C[NH3+])c1ccc(F)cc1F 76637191 343580036 /nfs/dbraw/zinc/58/00/36/343580036.db2.gz KZDOWKNIVNQAPR-WRWORJQWSA-N 1 0 197.228 2.201 50 0 AEAARO CC1=NC(C)(C)C(C)=[NH+]C1(C)C 78549267 343583246 /nfs/dbraw/zinc/58/32/46/343583246.db2.gz UZXRFLKNURPJBY-UHFFFAOYSA-N 1 0 166.268 2.479 50 0 AEAARO C[C@H]([NH3+])c1cc2ccccc2[nH]1 78677554 343583790 /nfs/dbraw/zinc/58/37/90/343583790.db2.gz QUERAHCHJWZYJF-ZETCQYMHSA-N 1 0 160.220 2.188 50 0 AEAARO C[C@H]([NH3+])c1cc(Cl)ccc1F 78675677 343583822 /nfs/dbraw/zinc/58/38/22/343583822.db2.gz ZZXFFISCWUZQPY-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 in-vitro AEAARO CC1(C[NH3+])CCCCCC1 78725052 343584614 /nfs/dbraw/zinc/58/46/14/343584614.db2.gz UAUZBQBZKWBDDW-UHFFFAOYSA-N 1 0 141.258 2.306 50 0 in-vitro AEAARO Cc1cccc2c1CCC[C@@H]2[NH3+] 79048044 343586307 /nfs/dbraw/zinc/58/63/07/343586307.db2.gz LSTDMOINTSAUJQ-NSHDSACASA-N 1 0 161.248 2.331 50 0 AEAARO Cc1cccc2c1CCC[C@H]2[NH3+] 79048047 343586353 /nfs/dbraw/zinc/58/63/53/343586353.db2.gz LSTDMOINTSAUJQ-LLVKDONJSA-N 1 0 161.248 2.331 50 0 AEAARO Cc1cccc(C[NH3+])c1Cl 79387686 343586758 /nfs/dbraw/zinc/58/67/58/343586758.db2.gz IFLOMUXTUMCCFZ-UHFFFAOYSA-N 1 0 155.628 2.107 50 0 in-vitro AEAARO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2 82049886 343594995 /nfs/dbraw/zinc/59/49/95/343594995.db2.gz WNNHJSGKIIPCBS-SNVBAGLBSA-N 1 0 176.263 2.201 50 0 AEAARO CCCCCN1C=C[NH+]=CC1 82044000 343595063 /nfs/dbraw/zinc/59/50/63/343595063.db2.gz WJWXFOMQKJSYMW-UHFFFAOYSA-N 1 0 152.241 2.034 50 0 AEAARO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2 82049887 343595127 /nfs/dbraw/zinc/59/51/27/343595127.db2.gz WNNHJSGKIIPCBS-JTQLQIEISA-N 1 0 176.263 2.201 50 0 AEAARO CC1(C)C[NH2+]C[C@@H]1c1ccccc1 82163984 343595893 /nfs/dbraw/zinc/59/58/93/343595893.db2.gz JDQKOONKEWWJDJ-LLVKDONJSA-N 1 0 175.275 2.400 50 0 in-vitro AEAARO CC1(C)C[NH2+]C[C@H]1c1ccccc1 82163987 343596155 /nfs/dbraw/zinc/59/61/55/343596155.db2.gz JDQKOONKEWWJDJ-NSHDSACASA-N 1 0 175.275 2.400 50 0 in-vitro AEAARO CC(C)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 82387831 343600232 /nfs/dbraw/zinc/60/02/32/343600232.db2.gz AEJICHUDVFIESG-SECBINFHSA-N 1 0 193.294 2.000 50 0 AEAARO C[C@H]([NH3+])C1CCCCCC1 82409846 343602583 /nfs/dbraw/zinc/60/25/83/343602583.db2.gz HUDZCDVZYRHSNT-QMMMGPOBSA-N 1 0 141.258 2.304 50 0 in-vitro AEAARO CCOc1cc(C)ccc1[C@H](C)[NH3+] 82501950 343605375 /nfs/dbraw/zinc/60/53/75/343605375.db2.gz SKKQILPEWAAZTP-VIFPVBQESA-N 1 0 179.263 2.413 50 0 AEAARO CCOc1cc(C)ccc1[C@@H](C)[NH3+] 82501948 343605500 /nfs/dbraw/zinc/60/55/00/343605500.db2.gz SKKQILPEWAAZTP-SECBINFHSA-N 1 0 179.263 2.413 50 0 AEAARO CC[C@@H]1CCCC[C@@H]1C[NH3+] 82657646 343608949 /nfs/dbraw/zinc/60/89/49/343608949.db2.gz SYYXPQCKXWLCCA-RKDXNWHRSA-N 1 0 141.258 2.162 50 0 AEAARO CC[C@@H]1CCCC[C@H]1C[NH3+] 82657648 343608970 /nfs/dbraw/zinc/60/89/70/343608970.db2.gz SYYXPQCKXWLCCA-BDAKNGLRSA-N 1 0 141.258 2.162 50 0 AEAARO CC[C@H]1CCCC[C@@H]1C[NH3+] 82657647 343609291 /nfs/dbraw/zinc/60/92/91/343609291.db2.gz SYYXPQCKXWLCCA-DTWKUNHWSA-N 1 0 141.258 2.162 50 0 AEAARO CC[C@H]1CCCC[C@H]1C[NH3+] 82657649 343609521 /nfs/dbraw/zinc/60/95/21/343609521.db2.gz SYYXPQCKXWLCCA-IUCAKERBSA-N 1 0 141.258 2.162 50 0 AEAARO C[C@H]1Cc2cc(F)ccc2[C@H](C)[NH2+]1 82785488 343612527 /nfs/dbraw/zinc/61/25/27/343612527.db2.gz RFUYINIEGOHIAM-YUMQZZPRSA-N 1 0 179.238 2.421 50 0 AEAARO C[C@H]1Cc2cc(F)ccc2[C@@H](C)[NH2+]1 82785490 343612566 /nfs/dbraw/zinc/61/25/66/343612566.db2.gz RFUYINIEGOHIAM-JGVFFNPUSA-N 1 0 179.238 2.421 50 0 AEAARO C[C@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 82815835 343612766 /nfs/dbraw/zinc/61/27/66/343612766.db2.gz DJOVWJMYDZPCSB-HRDYMLBCSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@H]1CCC[C@@H]([C@H](C)[NH3+])C1 82815836 343613005 /nfs/dbraw/zinc/61/30/05/343613005.db2.gz DJOVWJMYDZPCSB-XHNCKOQMSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 82868723 343614573 /nfs/dbraw/zinc/61/45/73/343614573.db2.gz LWWZHBFSFLPGPG-ZYHUDNBSSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 82868721 343614613 /nfs/dbraw/zinc/61/46/13/343614613.db2.gz LWWZHBFSFLPGPG-PWSUYJOCSA-N 1 0 175.275 2.400 50 0 AEAARO CC(C)[NH2+]Cc1cccnc1Cl 83340988 343618850 /nfs/dbraw/zinc/61/88/50/343618850.db2.gz IAOLFSRJDKLAEU-UHFFFAOYSA-N 1 0 184.670 2.233 50 0 AEAARO CCC1([NH3+])CCC(F)(F)CC1 83351195 343618938 /nfs/dbraw/zinc/61/89/38/343618938.db2.gz BZQHBICCWHHEEG-UHFFFAOYSA-N 1 0 163.211 2.303 50 0 AEAARO C[C@H]([NH3+])c1cccc(F)c1Cl 83591431 343621536 /nfs/dbraw/zinc/62/15/36/343621536.db2.gz QRNVGMYCAUROPJ-YFKPBYRVSA-N 1 0 173.618 2.499 50 0 AEAARO C[C@@H]1CC[NH2+]C[C@H]1c1ccccc1 83823779 343624478 /nfs/dbraw/zinc/62/44/78/343624478.db2.gz UIDLQAWMPWRZCF-ZYHUDNBSSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@H]1CC[NH2+]C[C@@H]1c1ccccc1 83823778 343624612 /nfs/dbraw/zinc/62/46/12/343624612.db2.gz UIDLQAWMPWRZCF-JQWIXIFHSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@H]1CC[NH2+]C[C@H]1c1ccccc1 83823780 343624648 /nfs/dbraw/zinc/62/46/48/343624648.db2.gz UIDLQAWMPWRZCF-CMPLNLGQSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 83823777 343624781 /nfs/dbraw/zinc/62/47/81/343624781.db2.gz UIDLQAWMPWRZCF-PWSUYJOCSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@@]1(Cc2ccccc2)CCC[NH2+]1 84248167 343633225 /nfs/dbraw/zinc/63/32/25/343633225.db2.gz XQGZBKZGCLUJKN-LBPRGKRZSA-N 1 0 175.275 2.371 50 0 in-vitro AEAARO C[C@]1(Cc2ccccc2)CCC[NH2+]1 84248166 343633282 /nfs/dbraw/zinc/63/32/82/343633282.db2.gz XQGZBKZGCLUJKN-GFCCVEGCSA-N 1 0 175.275 2.371 50 0 in-vitro AEAARO c1ccc([C@@H]2CSCCC[NH2+]2)cc1 85314953 343642113 /nfs/dbraw/zinc/64/21/13/343642113.db2.gz AARKAEMAUXIRMT-NSHDSACASA-N 1 0 193.315 2.454 50 0 AEAARO c1ccc([C@H]2CSCCC[NH2+]2)cc1 85314954 343642390 /nfs/dbraw/zinc/64/23/90/343642390.db2.gz AARKAEMAUXIRMT-LLVKDONJSA-N 1 0 193.315 2.454 50 0 AEAARO CC(C)[NH2+][C@H]1CCCc2cccnc21 85789434 343647577 /nfs/dbraw/zinc/64/75/77/343647577.db2.gz MMIUIJWTEXAJOA-NSHDSACASA-N 1 0 190.290 2.457 50 0 in-vitro AEAARO CCC[NH2+][C@@H]1CCCc2cccnc21 85789416 343647777 /nfs/dbraw/zinc/64/77/77/343647777.db2.gz CEQKAGKGPVMRMS-LLVKDONJSA-N 1 0 190.290 2.459 50 0 in-vitro AEAARO CC[N@H+](C)Cc1cc(Cl)ccn1 86129522 343649780 /nfs/dbraw/zinc/64/97/80/343649780.db2.gz MSGUCVXGQSKZBU-UHFFFAOYSA-N 1 0 184.670 2.187 50 0 AEAARO CC1(C)C[NH2+]CC[C@H]1C(F)(F)F 97117746 343701943 /nfs/dbraw/zinc/70/19/43/343701943.db2.gz QRDBGSBWGYDUMV-ZCFIWIBFSA-N 1 0 181.201 2.184 50 0 in-vitro AEAARO CC1(C)CCC[C@@H]1[C@H]1CC[NH2+]C1 86869623 343656896 /nfs/dbraw/zinc/65/68/96/343656896.db2.gz HLACWAFJKNNXJV-VHSXEESVSA-N 1 0 167.296 2.422 50 0 AEAARO CC1(C)CCC[C@H]1[C@@H]1CC[NH2+]C1 86869621 343656998 /nfs/dbraw/zinc/65/69/98/343656998.db2.gz HLACWAFJKNNXJV-ZJUUUORDSA-N 1 0 167.296 2.422 50 0 AEAARO CC[C@@]1(C)CNc2ccccc2C[NH2+]1 86918848 343657198 /nfs/dbraw/zinc/65/71/98/343657198.db2.gz KUQHUOLKMIPODJ-LBPRGKRZSA-N 1 0 190.290 2.370 50 0 AEAARO C[C@H]([NH3+])c1ccnc(C(F)(F)F)c1 88189834 343668750 /nfs/dbraw/zinc/66/87/50/343668750.db2.gz HINKKEGFYGRYTJ-YFKPBYRVSA-N 1 0 190.168 2.120 50 0 in-vitro AEAARO Cc1ccc2c[nH+]c(N)cc2c1 88189816 343668878 /nfs/dbraw/zinc/66/88/78/343668878.db2.gz DBOBOPSSKJMSSY-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 in-vitro AEAARO CCCCC1CC[NH2+]CC1 88243212 343669548 /nfs/dbraw/zinc/66/95/48/343669548.db2.gz XIQSPCJCAJVNJL-UHFFFAOYSA-N 1 0 141.258 2.176 50 0 in-vitro AEAARO Cc1cc(C(F)(F)F)ccc1C[NH3+] 91301570 343677451 /nfs/dbraw/zinc/67/74/51/343677451.db2.gz VMJKHBXPGXRDHD-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 in-vitro AEAARO CC1(C)C[NH2+]Cc2c(F)cccc21 91368640 343677974 /nfs/dbraw/zinc/67/79/74/343677974.db2.gz RMZHTVZPKNPNSE-UHFFFAOYSA-N 1 0 179.238 2.207 50 0 AEAARO Cc1[nH+]c2c(c(C)c1C)CCCN2 95533185 343683597 /nfs/dbraw/zinc/68/35/97/343683597.db2.gz FJDKDRDERXOPCK-UHFFFAOYSA-N 1 0 176.263 2.365 50 0 AEAARO Cc1[nH+]c2c(c(C)c1C)NCCC2 95533171 343683847 /nfs/dbraw/zinc/68/38/47/343683847.db2.gz LZISOKSTFHYYQC-UHFFFAOYSA-N 1 0 176.263 2.365 50 0 AEAARO CCCC(=O)[C@H]([NH2+]C)c1ccccc1 95705027 343685542 /nfs/dbraw/zinc/68/55/42/343685542.db2.gz ILGRTMNCRBDXBI-GFCCVEGCSA-N 1 0 191.274 2.316 50 0 in-vitro AEAARO CCCC(=O)[C@@H]([NH2+]C)c1ccccc1 95705029 343685589 /nfs/dbraw/zinc/68/55/89/343685589.db2.gz ILGRTMNCRBDXBI-LBPRGKRZSA-N 1 0 191.274 2.316 50 0 in-vitro AEAARO C[C@H]([NH3+])c1ccc(C(F)(F)F)cn1 95755923 343687128 /nfs/dbraw/zinc/68/71/28/343687128.db2.gz BOHFCACEJMSLFB-YFKPBYRVSA-N 1 0 190.168 2.120 50 0 AEAARO Cc1cc([C@@H]2CC[NH2+]C2)cs1 95883876 343689098 /nfs/dbraw/zinc/68/90/98/343689098.db2.gz SGJNNRKQCVSHNB-MRVPVSSYSA-N 1 0 167.277 2.133 50 0 in-vitro AEAARO Cc1cc([C@H]2CC[NH2+]C2)cs1 95883877 343689226 /nfs/dbraw/zinc/68/92/26/343689226.db2.gz SGJNNRKQCVSHNB-QMMMGPOBSA-N 1 0 167.277 2.133 50 0 in-vitro AEAARO C[C@H]1CSc2ccccc2C[NH2+]1 95883813 343689259 /nfs/dbraw/zinc/68/92/59/343689259.db2.gz VMPYLWXHYKKRNX-QMMMGPOBSA-N 1 0 179.288 2.270 50 0 in-vitro AEAARO C[C@H](COc1ccccc1)[NH+](C)C 96026483 343692205 /nfs/dbraw/zinc/69/22/05/343692205.db2.gz UVARNCGICWIMLT-SNVBAGLBSA-N 1 0 179.263 2.016 50 0 AEAARO C[C@H](C[NH+](C)C)Oc1ccccc1 96026479 343692219 /nfs/dbraw/zinc/69/22/19/343692219.db2.gz RXWUDHRCIIFQQK-SNVBAGLBSA-N 1 0 179.263 2.016 50 0 AEAARO CCc1cccc(C2([NH3+])CC2)c1 95938188 343692234 /nfs/dbraw/zinc/69/22/34/343692234.db2.gz GVBJEUUHBARLIB-UHFFFAOYSA-N 1 0 161.248 2.197 50 0 AEAARO C[C@@H](COc1ccccc1)[NH+](C)C 96026482 343692409 /nfs/dbraw/zinc/69/24/09/343692409.db2.gz UVARNCGICWIMLT-JTQLQIEISA-N 1 0 179.263 2.016 50 0 AEAARO C[C@@H](C[NH+](C)C)Oc1ccccc1 96026478 343692453 /nfs/dbraw/zinc/69/24/53/343692453.db2.gz RXWUDHRCIIFQQK-JTQLQIEISA-N 1 0 179.263 2.016 50 0 AEAARO Cc1csc(C2=CC[N@H+](C)CC2)n1 96027771 343692675 /nfs/dbraw/zinc/69/26/75/343692675.db2.gz LLNLSLMJAUMWAS-UHFFFAOYSA-N 1 0 194.303 2.170 50 0 AEAARO CC1=[NH+]c2ccccc2CN1C 96027703 343692698 /nfs/dbraw/zinc/69/26/98/343692698.db2.gz HSHPVKIJONVDMY-UHFFFAOYSA-N 1 0 160.220 2.182 50 0 AEAARO C[C@H]1C(c2ccccc2)=CC[N@H+]1C 96027044 343692716 /nfs/dbraw/zinc/69/27/16/343692716.db2.gz ZMWFDZMCIUMHOU-JTQLQIEISA-N 1 0 173.259 2.404 50 0 AEAARO CCC[C@]([NH3+])(C(C)=O)c1ccccc1 96027266 343692725 /nfs/dbraw/zinc/69/27/25/343692725.db2.gz RTLYJQQUEHWQIG-LBPRGKRZSA-N 1 0 191.274 2.230 50 0 AEAARO C[N@@H+]1CC[C@](C)(c2ccccc2)C1 96027276 343692747 /nfs/dbraw/zinc/69/27/47/343692747.db2.gz FDGNGLIFUYSZIQ-LBPRGKRZSA-N 1 0 175.275 2.280 50 0 AEAARO CCC1=[NH+]Cc2ccccc2N1 96027707 343692805 /nfs/dbraw/zinc/69/28/05/343692805.db2.gz COLVXPBCGDJVLM-UHFFFAOYSA-N 1 0 160.220 2.230 50 0 AEAARO C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 96027277 343692786 /nfs/dbraw/zinc/69/27/86/343692786.db2.gz FDGNGLIFUYSZIQ-GFCCVEGCSA-N 1 0 175.275 2.280 50 0 AEAARO C[C@@H]1C(c2ccccc2)=CC[N@H+]1C 96027043 343692796 /nfs/dbraw/zinc/69/27/96/343692796.db2.gz ZMWFDZMCIUMHOU-SNVBAGLBSA-N 1 0 173.259 2.404 50 0 AEAARO CC[C@H]1CCC[C@@H](CC)[NH2+]1 96027406 343692811 /nfs/dbraw/zinc/69/28/11/343692811.db2.gz PPRWPCMILDCTGF-DTORHVGOSA-N 1 0 141.258 2.317 50 0 AEAARO c1ccc([C@H]2C3CC[NH+]2CC3)cc1 96027122 343692829 /nfs/dbraw/zinc/69/28/29/343692829.db2.gz KKIRVYDBCWVSAD-LBPRGKRZSA-N 1 0 173.259 2.453 50 0 AEAARO CCC[C@@]([NH3+])(C(C)=O)c1ccccc1 96027267 343692877 /nfs/dbraw/zinc/69/28/77/343692877.db2.gz RTLYJQQUEHWQIG-GFCCVEGCSA-N 1 0 191.274 2.230 50 0 AEAARO CC[C@H]1CCC[C@H](CC)[NH2+]1 96027407 343692890 /nfs/dbraw/zinc/69/28/90/343692890.db2.gz PPRWPCMILDCTGF-IUCAKERBSA-N 1 0 141.258 2.317 50 0 AEAARO c1ccc([C@@H]2C3CC[NH+]2CC3)cc1 96027121 343692896 /nfs/dbraw/zinc/69/28/96/343692896.db2.gz KKIRVYDBCWVSAD-GFCCVEGCSA-N 1 0 173.259 2.453 50 0 AEAARO Cc1cccc([C@H]2[NH2+]CCS2)c1 97922855 343704328 /nfs/dbraw/zinc/70/43/28/343704328.db2.gz XGRWDOHURTVHMY-JTQLQIEISA-N 1 0 179.288 2.330 50 0 AEAARO Cc1cccc([C@@H]2[NH2+]CCS2)c1 97922854 343704404 /nfs/dbraw/zinc/70/44/04/343704404.db2.gz XGRWDOHURTVHMY-SNVBAGLBSA-N 1 0 179.288 2.330 50 0 AEAARO CC(C)c1coc([C@@H]2CCC[NH2+]2)n1 98213691 343707423 /nfs/dbraw/zinc/70/74/23/343707423.db2.gz BHVXSERHHPYGHD-QMMMGPOBSA-N 1 0 180.251 2.223 50 0 AEAARO CC1(C[NH3+])CCC(F)(F)CC1 98213724 343707622 /nfs/dbraw/zinc/70/76/22/343707622.db2.gz OWONXEKZPVRDKW-UHFFFAOYSA-N 1 0 163.211 2.161 50 0 in-vitro AEAARO CC(C)c1coc([C@H]2CCC[NH2+]2)n1 98213692 343707633 /nfs/dbraw/zinc/70/76/33/343707633.db2.gz BHVXSERHHPYGHD-MRVPVSSYSA-N 1 0 180.251 2.223 50 0 AEAARO Fc1ccc(C[NH+]2CC=CC2)cc1 100009678 343708491 /nfs/dbraw/zinc/70/84/91/343708491.db2.gz MVMHOUUQCHXFCK-UHFFFAOYSA-N 1 0 177.222 2.198 50 0 AEAARO C[C@]12C[C@@H]3C[C@H](C1)C[C@@]([NH3+])(C3)C2 100071080 343710371 /nfs/dbraw/zinc/71/03/71/343710371.db2.gz MWMFMCTUGUZSJJ-BIBSGERRSA-N 1 0 165.280 2.304 50 0 in-vitro AEAARO CC/C=C/[NH+]1CCCCC1 100074713 343710414 /nfs/dbraw/zinc/71/04/14/343710414.db2.gz YBTBLUIZFVXVOK-XVNBXDOJSA-N 1 0 139.242 2.396 50 0 AEAARO CC(C)(C)[C@@H]1C[NH2+]C[C@@H](C(C)(C)C)O1 101247279 343723106 /nfs/dbraw/zinc/72/31/06/343723106.db2.gz MUUOKUTZQUUSRD-UWVGGRQHSA-N 1 0 199.338 2.436 50 0 AEAARO CC(C)(C)[C@H]1C[NH2+]C[C@@H](C(C)(C)C)O1 101247277 343723141 /nfs/dbraw/zinc/72/31/41/343723141.db2.gz MUUOKUTZQUUSRD-AOOOYVTPSA-N 1 0 199.338 2.436 50 0 AEAARO CC(C)(C)[C@H]1C[NH2+]C[C@H](C(C)(C)C)O1 101247278 343723255 /nfs/dbraw/zinc/72/32/55/343723255.db2.gz MUUOKUTZQUUSRD-NXEZZACHSA-N 1 0 199.338 2.436 50 0 AEAARO C[C@H]1Oc2ccccc2[NH+]=C1N(C)C 102194930 343725629 /nfs/dbraw/zinc/72/56/29/343725629.db2.gz VKJLBIBWTGZJGZ-MRVPVSSYSA-N 1 0 190.246 2.059 50 0 AEAARO CCc1cccc(CC)c1C[NH3+] 103267480 343726908 /nfs/dbraw/zinc/72/69/08/343726908.db2.gz HIXZJPWRAALXBT-UHFFFAOYSA-N 1 0 163.264 2.270 50 0 in-vitro AEAARO CC(C)[C@H]1CC[C@H]([NH3+])CC1 104558254 343732321 /nfs/dbraw/zinc/73/23/21/343732321.db2.gz MFRKYEJMLQUSJX-DTORHVGOSA-N 1 0 141.258 2.160 50 0 AEAARO Cc1ccc2c(c1)CCC[C@H]2[NH3+] 104530828 343732504 /nfs/dbraw/zinc/73/25/04/343732504.db2.gz RVYMOWKHMXUHRS-LLVKDONJSA-N 1 0 161.248 2.331 50 0 AEAARO Cc1cccc([C@@]2(F)CC[NH2+]C2)c1 107126953 343742243 /nfs/dbraw/zinc/74/22/43/343742243.db2.gz DNIPLAIHBDOIMM-LLVKDONJSA-N 1 0 179.238 2.153 50 0 in-vitro AEAARO Cc1ccccc1[C@]1(F)CC[NH2+]C1 107126964 343742423 /nfs/dbraw/zinc/74/24/23/343742423.db2.gz IWMVHGCXCQGGBU-NSHDSACASA-N 1 0 179.238 2.153 50 0 in-vitro AEAARO Cc1ccc2c(c1)CCC[C@@H]2[NH3+] 107159655 343745340 /nfs/dbraw/zinc/74/53/40/343745340.db2.gz RVYMOWKHMXUHRS-NSHDSACASA-N 1 0 161.248 2.331 50 0 AEAARO [NH3+]Cc1ccccc1C1CCC1 107159677 343745365 /nfs/dbraw/zinc/74/53/65/343745365.db2.gz AFUPAKRAKPUPHE-UHFFFAOYSA-N 1 0 161.248 2.413 50 0 AEAARO F[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 107275004 343748365 /nfs/dbraw/zinc/74/83/65/343748365.db2.gz RTERFKJZGYQKJT-WDEREUQCSA-N 1 0 179.238 2.102 50 0 AEAARO F[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 107275002 343748375 /nfs/dbraw/zinc/74/83/75/343748375.db2.gz RTERFKJZGYQKJT-MNOVXSKESA-N 1 0 179.238 2.102 50 0 AEAARO F[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 107275006 343748378 /nfs/dbraw/zinc/74/83/78/343748378.db2.gz RTERFKJZGYQKJT-GHMZBOCLSA-N 1 0 179.238 2.102 50 0 AEAARO F[C@H]1C[NH2+]CC[C@H]1c1ccccc1 107275000 343748436 /nfs/dbraw/zinc/74/84/36/343748436.db2.gz RTERFKJZGYQKJT-QWRGUYRKSA-N 1 0 179.238 2.102 50 0 AEAARO Cc1cc2c(s1)CC[C@H]2[NH3+] 107398462 343749696 /nfs/dbraw/zinc/74/96/96/343749696.db2.gz FZBPUCRQPMIDJC-SSDOTTSWSA-N 1 0 153.250 2.003 50 0 in-vitro AEAARO [NH3+]Cc1cccc2[nH]cc(Cl)c12 108293486 343751988 /nfs/dbraw/zinc/75/19/88/343751988.db2.gz PNWLKGDPZFIROA-UHFFFAOYSA-N 1 0 180.638 2.280 50 0 AEAARO CC(C)=CCC/C(C)=C/CNCC[NH3+] 138062674 343988136 /nfs/dbraw/zinc/98/81/36/343988136.db2.gz JCIITWXLJRJGNM-KPKJPENVSA-N 1 0 196.338 2.227 50 0 AEAARO CN1C=CC(=C2C=CC(=[NH2+])C=C2)C=C1 139037424 343992629 /nfs/dbraw/zinc/99/26/29/343992629.db2.gz QHYLCANOPQWQFG-UHFFFAOYSA-N 1 0 184.242 2.402 50 0 AEAARO C[C@H]([NH3+])C1CCC(F)(F)CC1 139531809 343995353 /nfs/dbraw/zinc/99/53/53/343995353.db2.gz PQXBNSCUACNFMG-LURJTMIESA-N 1 0 163.211 2.159 50 0 AEAARO C#[N+]c1ccccc1CC(OC)OC 142370639 344011884 /nfs/dbraw/zinc/01/18/84/344011884.db2.gz XSTAOBURMHGXDG-UHFFFAOYSA-N 1 0 191.230 2.399 50 0 in-vitro AEAARO [NH3+]C1CC(C2CCCCC2)C1 143865884 344022387 /nfs/dbraw/zinc/02/23/87/344022387.db2.gz HRPGWBVQQDESJU-UHFFFAOYSA-N 1 0 153.269 2.304 50 0 AEAARO OC1(C[C@H]2CCCC[NH2+]2)CCCCC1 143949022 344023546 /nfs/dbraw/zinc/02/35/46/344023546.db2.gz QSFIQNPIALHAAI-LLVKDONJSA-N 1 0 197.322 2.214 50 0 AEAARO OC1(C[C@@H]2CCCC[NH2+]2)CCCCC1 143948814 344023552 /nfs/dbraw/zinc/02/35/52/344023552.db2.gz QSFIQNPIALHAAI-NSHDSACASA-N 1 0 197.322 2.214 50 0 AEAARO CC1(C)CC[NH2+]CC(C)(C)C1 144662244 344028582 /nfs/dbraw/zinc/02/85/82/344028582.db2.gz AZVHSOYMWGRZQQ-UHFFFAOYSA-N 1 0 155.285 2.422 50 0 AEAARO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccccc1 145982688 344037890 /nfs/dbraw/zinc/03/78/90/344037890.db2.gz VDXNKYRHOGJFPI-LSJOCFKGSA-N 1 0 161.248 2.137 50 0 in-vitro AEAARO [NH3+][C@@H]1CC[C@H]2CCCC[C@H]2C1 146471779 344040906 /nfs/dbraw/zinc/04/09/06/344040906.db2.gz FFROQSBSJYRALS-KXUCPTDWSA-N 1 0 153.269 2.304 50 0 in-vitro AEAARO CC1(C)C[NH2+]CCc2ccccc21 147008738 344043079 /nfs/dbraw/zinc/04/30/79/344043079.db2.gz LLFPHVMUGMGCAX-UHFFFAOYSA-N 1 0 175.275 2.110 50 0 AEAARO Cc1ccnc2cccc(N)c12 148428102 344054067 /nfs/dbraw/zinc/05/40/67/344054067.db2.gz HNSWMEOYZKDHDA-UHFFFAOYSA-N 1 0 158.204 2.125 50 0 AEAARO [NH3+]Cc1cc(F)cc2ccccc12 148398759 344054222 /nfs/dbraw/zinc/05/42/22/344054222.db2.gz SYBXLYOPVGCZIP-UHFFFAOYSA-N 1 0 175.206 2.438 50 0 in-vitro AEAARO Cc1cc(C[NH3+])ccc1C(F)(F)F 149655352 344069233 /nfs/dbraw/zinc/06/92/33/344069233.db2.gz XRISWIOMGYXNDX-UHFFFAOYSA-N 1 0 189.180 2.473 50 0 AEAARO C[C@H]([NH3+])c1cc(Cl)cc2c1OCC2 157255768 344101977 /nfs/dbraw/zinc/10/19/77/344101977.db2.gz KSYXYUVBXXHRHM-LURJTMIESA-N 1 0 197.665 2.295 50 0 AEAARO C[C@@H]([NH3+])c1cc(Cl)cc2c1OCC2 157255081 344102090 /nfs/dbraw/zinc/10/20/90/344102090.db2.gz KSYXYUVBXXHRHM-ZCFIWIBFSA-N 1 0 197.665 2.295 50 0 AEAARO Cc1cc(F)cc([C@@]2(F)CC[NH2+]C2)c1 158194704 344121446 /nfs/dbraw/zinc/12/14/46/344121446.db2.gz OHDGKMKIFDPZND-LLVKDONJSA-N 1 0 197.228 2.292 50 0 AEAARO Cc1cc(F)cc([C@]2(F)CC[NH2+]C2)c1 158194568 344121473 /nfs/dbraw/zinc/12/14/73/344121473.db2.gz OHDGKMKIFDPZND-NSHDSACASA-N 1 0 197.228 2.292 50 0 AEAARO Cc1cccnc1[C@@H]([NH3+])C1CCC1 161355648 344189614 /nfs/dbraw/zinc/18/96/14/344189614.db2.gz URUBBICQABGESV-JTQLQIEISA-N 1 0 176.263 2.190 50 0 AEAARO Cc1cccnc1[C@H]([NH3+])C1CCC1 161355542 344189939 /nfs/dbraw/zinc/18/99/39/344189939.db2.gz URUBBICQABGESV-SNVBAGLBSA-N 1 0 176.263 2.190 50 0 AEAARO Cc1cc(F)ccc1CC1([NH3+])CC1 163429887 344223794 /nfs/dbraw/zinc/22/37/94/344223794.db2.gz NHYZSFTVIKAQEI-UHFFFAOYSA-N 1 0 179.238 2.168 50 0 AEAARO C[Si](C)(C)[NH2+][Si](C)(C)C 169743012 344351719 /nfs/dbraw/zinc/35/17/19/344351719.db2.gz FFUAGWLWBBFQJT-UHFFFAOYSA-N 1 0 161.397 2.246 50 0 in-vitro AEAARO CC1=C(c2ccco2)C[NH2+]CC1 170619269 344354138 /nfs/dbraw/zinc/35/41/38/344354138.db2.gz IFOJHFGHSRFDPD-UHFFFAOYSA-N 1 0 163.220 2.046 50 0 AEAARO Cc1ccc2c(c1)CC(C)(C)[NH2+]C2 213079843 344380731 /nfs/dbraw/zinc/38/07/31/344380731.db2.gz VVSWENIUGDNQDT-UHFFFAOYSA-N 1 0 175.275 2.419 50 0 AEAARO COc1ccc([C@@H](C)[NH3+])c(C)c1OC 213866135 344382022 /nfs/dbraw/zinc/38/20/22/344382022.db2.gz XYVUTVLUGSLLTK-MRVPVSSYSA-N 1 0 195.262 2.032 50 0 in-vitro AEAARO COc1ccc([C@H](C)[NH3+])c(C)c1OC 213866197 344382096 /nfs/dbraw/zinc/38/20/96/344382096.db2.gz XYVUTVLUGSLLTK-QMMMGPOBSA-N 1 0 195.262 2.032 50 0 in-vitro AEAARO C[C@H]1CC[C@@](C)(C[NH3+])C1(C)C 217714855 344404963 /nfs/dbraw/zinc/40/49/63/344404963.db2.gz WYKWAOMJLVNRCR-WPRPVWTQSA-N 1 0 155.285 2.408 50 0 AEAARO CC1(C)C[NH2+][C@H]1c1cccs1 218745952 344415755 /nfs/dbraw/zinc/41/57/55/344415755.db2.gz YUPMHWFZXSTMLO-QMMMGPOBSA-N 1 0 167.277 2.419 50 0 in-vitro AEAARO CC1(C)C[NH2+][C@@H]1c1cccs1 218745916 344415764 /nfs/dbraw/zinc/41/57/64/344415764.db2.gz YUPMHWFZXSTMLO-MRVPVSSYSA-N 1 0 167.277 2.419 50 0 in-vitro AEAARO CNc1cc[nH+]c2c1CCCC2 221030809 344437565 /nfs/dbraw/zinc/43/75/65/344437565.db2.gz KZFXOHUERSGRGX-UHFFFAOYSA-N 1 0 162.236 2.002 50 0 in-vitro AEAARO C[C@@H]1CC[C@H](C2CCC2)C[NH2+]1 221567416 344444376 /nfs/dbraw/zinc/44/43/76/344444376.db2.gz QYOGOBFWMUCPCC-SCZZXKLOSA-N 1 0 153.269 2.175 50 0 AEAARO C[C@@H]1CC[C@@H](C2CCC2)C[NH2+]1 221567538 344444413 /nfs/dbraw/zinc/44/44/13/344444413.db2.gz QYOGOBFWMUCPCC-PSASIEDQSA-N 1 0 153.269 2.175 50 0 AEAARO C[C@H]1CC[C@@H](C2CCC2)C[NH2+]1 221567592 344444456 /nfs/dbraw/zinc/44/44/56/344444456.db2.gz QYOGOBFWMUCPCC-WCBMZHEXSA-N 1 0 153.269 2.175 50 0 AEAARO C[C@H]1CC[C@H](C2CCC2)C[NH2+]1 221567476 344444567 /nfs/dbraw/zinc/44/45/67/344444567.db2.gz QYOGOBFWMUCPCC-WPRPVWTQSA-N 1 0 153.269 2.175 50 0 AEAARO Cc1cc(N)ccc1C1CC[NH2+]CC1 224832517 344473741 /nfs/dbraw/zinc/47/37/41/344473741.db2.gz MZVDHNXZVIGXLU-UHFFFAOYSA-N 1 0 190.290 2.044 50 0 in-vitro AEAARO Cc1cc(Cl)cc2c1C[NH2+]CC2 235794538 344766601 /nfs/dbraw/zinc/76/66/01/344766601.db2.gz QNOPUXZYUMXMTC-UHFFFAOYSA-N 1 0 181.666 2.294 50 0 AEAARO C[C@H]1CCC[C@@H](C)[C@@H]1C[NH3+] 251560537 344857687 /nfs/dbraw/zinc/85/76/87/344857687.db2.gz AGZXAVWILUZMEB-BRPSZJMVSA-N 1 0 141.258 2.017 50 0 AEAARO C[NH2+]Cc1ncc(Cl)cc1Cl 238332655 344801623 /nfs/dbraw/zinc/80/16/23/344801623.db2.gz JNMYOHRNVWUNFK-UHFFFAOYSA-N 1 0 191.061 2.108 50 0 AEAARO Cc1cc2c(CC[NH3+])c[nH]c2cc1F 238499498 344809740 /nfs/dbraw/zinc/80/97/40/344809740.db2.gz IDRQYOXLUVQZFT-UHFFFAOYSA-N 1 0 192.237 2.117 50 0 in-vitro AEAARO FC1(F)CCC2(CCC[NH2+]2)CC1 238672563 344818223 /nfs/dbraw/zinc/81/82/23/344818223.db2.gz XEYZPIBVNVCBQH-UHFFFAOYSA-N 1 0 175.222 2.318 50 0 AEAARO Cc1cccc([C@@H]2C[C@H]2[C@H](C)[NH3+])c1 238850821 344823188 /nfs/dbraw/zinc/82/31/88/344823188.db2.gz CVLBTLKIZRFOFZ-DLOVCJGASA-N 1 0 175.275 2.446 50 0 in-vitro AEAARO Cc1cccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])c1 238850822 344823223 /nfs/dbraw/zinc/82/32/23/344823223.db2.gz CVLBTLKIZRFOFZ-WCQGTBRESA-N 1 0 175.275 2.446 50 0 in-vitro AEAARO Cc1cccc([C@H]2C[C@H]([NH3+])C2)c1 238854296 344823955 /nfs/dbraw/zinc/82/39/55/344823955.db2.gz NKCAYYBRJAIRRB-XYPYZODXSA-N 1 0 161.248 2.200 50 0 AEAARO CC[C@H]1CCCCN1[C@H]1CCC[NH2+]C1 247722550 344826709 /nfs/dbraw/zinc/82/67/09/344826709.db2.gz BRUXPGUKBGQGAT-RYUDHWBXSA-N 1 0 196.338 2.003 50 0 AEAARO CC[C@@H]1CCCCN1[C@H]1CCC[NH2+]C1 247722547 344826752 /nfs/dbraw/zinc/82/67/52/344826752.db2.gz BRUXPGUKBGQGAT-NEPJUHHUSA-N 1 0 196.338 2.003 50 0 AEAARO CC(C)CCO[C@H]1CC[C@H]([NH3+])CC1 251273719 344851043 /nfs/dbraw/zinc/85/10/43/344851043.db2.gz YDPVIGMFPBXQFH-XYPYZODXSA-N 1 0 185.311 2.319 50 0 AEAARO C[C@@H]1CCC[C@H](C2C[NH2+]C2)C1 306255930 345146996 /nfs/dbraw/zinc/14/69/96/345146996.db2.gz WMPJJNHUFYBTHX-BDAKNGLRSA-N 1 0 153.269 2.032 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H](C2C[NH2+]C2)C1 306255933 345147069 /nfs/dbraw/zinc/14/70/69/345147069.db2.gz WMPJJNHUFYBTHX-RKDXNWHRSA-N 1 0 153.269 2.032 50 0 in-vitro AEAARO C[C@H]1CCC[C@@H](C2C[NH2+]C2)C1 306255931 345147170 /nfs/dbraw/zinc/14/71/70/345147170.db2.gz WMPJJNHUFYBTHX-DTWKUNHWSA-N 1 0 153.269 2.032 50 0 in-vitro AEAARO C[C@H]1CCC[C@H](C2C[NH2+]C2)C1 306255932 345147175 /nfs/dbraw/zinc/14/71/75/345147175.db2.gz WMPJJNHUFYBTHX-IUCAKERBSA-N 1 0 153.269 2.032 50 0 in-vitro AEAARO [NH3+]C[C@@H]1CCC2(CCCCCC2)O1 306563286 345439024 /nfs/dbraw/zinc/43/90/24/345439024.db2.gz VGPFWAHZSFZEFJ-JTQLQIEISA-N 1 0 183.295 2.217 50 0 AEAARO [NH3+]C[C@H]1CCC2(CCCCCC2)O1 306563287 345439177 /nfs/dbraw/zinc/43/91/77/345439177.db2.gz VGPFWAHZSFZEFJ-SNVBAGLBSA-N 1 0 183.295 2.217 50 0 AEAARO [NH3+]Cc1ccc(Cl)c(F)c1F 306581009 345458371 /nfs/dbraw/zinc/45/83/71/345458371.db2.gz OIYNFZCDCAGVHJ-UHFFFAOYSA-N 1 0 177.581 2.077 50 0 AEAARO C1CCCC(C2C[NH2+]C2)CC1 307020485 345758154 /nfs/dbraw/zinc/75/81/54/345758154.db2.gz SXCKXIIYPUMWKU-UHFFFAOYSA-N 1 0 153.269 2.176 50 0 AEAARO CC(C)[NH2+][C@@H]1CCCc2[nH]ccc21 307438828 346040620 /nfs/dbraw/zinc/04/06/20/346040620.db2.gz MSZOZAMPJBUPQK-LLVKDONJSA-N 1 0 178.279 2.390 50 0 AEAARO CC(C)[NH2+][C@H]1CCCc2[nH]ccc21 307438829 346040673 /nfs/dbraw/zinc/04/06/73/346040673.db2.gz MSZOZAMPJBUPQK-NSHDSACASA-N 1 0 178.279 2.390 50 0 AEAARO CC1(C)CCC2(CC[C@H](C[NH3+])O2)CC1 307625552 346155282 /nfs/dbraw/zinc/15/52/82/346155282.db2.gz GVIMTYSHWRVPTQ-SNVBAGLBSA-N 1 0 197.322 2.463 50 0 AEAARO CC1(C)CCC2(CC[C@@H](C[NH3+])O2)CC1 307625551 346155411 /nfs/dbraw/zinc/15/54/11/346155411.db2.gz GVIMTYSHWRVPTQ-JTQLQIEISA-N 1 0 197.322 2.463 50 0 AEAARO [NH3+]Cc1cscc1C(F)(F)F 307701130 346192403 /nfs/dbraw/zinc/19/24/03/346192403.db2.gz MYWQNQVKNYMWSK-UHFFFAOYSA-N 1 0 181.182 2.226 50 0 AEAARO CC(C)(C)C[NH2+]Cc1ccns1 404508765 346646082 /nfs/dbraw/zinc/64/60/82/346646082.db2.gz OFDZSOSDZTTXPH-UHFFFAOYSA-N 1 0 184.308 2.279 50 0 AEAARO Cc1cc(Cl)c2c(c1)CC[NH2+]C2 404684032 346649245 /nfs/dbraw/zinc/64/92/45/346649245.db2.gz FHLHWCFKPOITDG-UHFFFAOYSA-N 1 0 181.666 2.294 50 0 AEAARO FC1(F)C2(CCC2)C12CC[NH2+]CC2 409436520 346699959 /nfs/dbraw/zinc/69/99/59/346699959.db2.gz DTSDCWLJIVKKOK-UHFFFAOYSA-N 1 0 187.233 2.175 50 0 AEAARO CCOc1cc([C@H]2C[C@@H]2[NH3+])ccc1F 575447777 346715258 /nfs/dbraw/zinc/71/52/58/346715258.db2.gz UNMOZWVGBVZHOR-SCZZXKLOSA-N 1 0 195.237 2.039 50 0 AEAARO C1CC([C@@H]2CCC[NH2+]CC2)C1 584880136 346747016 /nfs/dbraw/zinc/74/70/16/346747016.db2.gz LGIBFKOBVKPOCG-SNVBAGLBSA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO C1CC([C@H]2CCC[NH2+]CC2)C1 584880135 346747074 /nfs/dbraw/zinc/74/70/74/346747074.db2.gz LGIBFKOBVKPOCG-JTQLQIEISA-N 1 0 153.269 2.176 50 0 in-vitro AEAARO [NH3+][C@H]1C[C@H](Sc2ccccc2)C1 584880143 346747090 /nfs/dbraw/zinc/74/70/90/346747090.db2.gz SILJCMCYSJIDGV-CZMCAQCFSA-N 1 0 179.288 2.268 50 0 AEAARO [NH3+]C[C@@H]1CC=CC[C@H]1C(F)(F)F 584880177 346747197 /nfs/dbraw/zinc/74/71/97/346747197.db2.gz CBDIMXFLJGOVSG-NKWVEPMBSA-N 1 0 179.185 2.090 50 0 AEAARO c1ccc2c(c1)C[NH2+]CC1(CCC1)O2 585139440 346752970 /nfs/dbraw/zinc/75/29/70/346752970.db2.gz SFGRISWHIPIUBZ-UHFFFAOYSA-N 1 0 189.258 2.091 50 0 AEAARO CC(C)(C)[N@@H+]1[C@H]2CCCC[C@H]21 585681223 346761371 /nfs/dbraw/zinc/76/13/71/346761371.db2.gz VMGKJWTXAIZYAT-SLHIUPAKSA-N 1 0 153.269 2.412 50 0 AEAARO c1ccc2c(c1)cc1n2CCC[NH2+]C1 983 351268268 /nfs/dbraw/zinc/26/82/68/351268268.db2.gz FEJCIXJKPISCJV-UHFFFAOYSA-N 1 0 186.258 2.135 50 0 in-man AEAARO c1cc2c3c(c1)ccc[n+]3CCS2 78731 351269095 /nfs/dbraw/zinc/26/90/95/351269095.db2.gz GWNVTNJAVGINAF-UHFFFAOYSA-N 1 0 188.275 2.233 50 0 AEAARO C[C@@H]1C[N@@H+](C2CCCCC2)CCC1=O 129239 351270815 /nfs/dbraw/zinc/27/08/15/351270815.db2.gz SHFOBFYCUAWAOO-SNVBAGLBSA-N 1 0 195.306 2.230 50 0 AEAARO OC[C@H]1CCC[N@@H+]1CC1CCCCC1 216145 351273113 /nfs/dbraw/zinc/27/31/13/351273113.db2.gz PUOPWCAPWWHEOI-GFCCVEGCSA-N 1 0 197.322 2.023 50 0 AEAARO OC[C@@H]1CCC[N@@H+]1CC1CCCCC1 216140 351273135 /nfs/dbraw/zinc/27/31/35/351273135.db2.gz PUOPWCAPWWHEOI-LBPRGKRZSA-N 1 0 197.322 2.023 50 0 AEAARO OC[C@H]1CCC[N@@H+]1C1CCCCCC1 217715 351273462 /nfs/dbraw/zinc/27/34/62/351273462.db2.gz XORALHSMSCFBTA-GFCCVEGCSA-N 1 0 197.322 2.166 50 0 AEAARO C[C@@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1 214786 351273501 /nfs/dbraw/zinc/27/35/01/351273501.db2.gz RRUVGSWTIMCTJM-QTAHKJALSA-N 1 0 197.322 2.068 50 0 AEAARO C[C@@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 214792 351273561 /nfs/dbraw/zinc/27/35/61/351273561.db2.gz RRUVGSWTIMCTJM-ZYGVAYEYSA-N 1 0 197.322 2.068 50 0 AEAARO c1ccc2c(Cn3ccnc3)c[nH]c2c1 293947 351274110 /nfs/dbraw/zinc/27/41/10/351274110.db2.gz FRADTKAUXQUOIJ-UHFFFAOYSA-N 1 0 197.241 2.413 50 0 biogenic,in-vivo AEAARO CC(C)([NH3+])Cc1cc2ccccc2[nH]1 285201 351274366 /nfs/dbraw/zinc/27/43/66/351274366.db2.gz ODPJAJNDECUREX-UHFFFAOYSA-N 1 0 188.274 2.448 50 0 AEAARO CCOc1ccc([C@@H](C)[NH3+])cc1 295638 351274492 /nfs/dbraw/zinc/27/44/92/351274492.db2.gz LQISONQSSGPXMA-MRVPVSSYSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO CCOc1ccc([C@H](C)[NH3+])cc1 295641 351274546 /nfs/dbraw/zinc/27/45/46/351274546.db2.gz LQISONQSSGPXMA-QMMMGPOBSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO c1ccc(OCC[NH+]2CCCC2)cc1 297878 351275087 /nfs/dbraw/zinc/27/50/87/351275087.db2.gz QVBDAOOBWSNSQC-UHFFFAOYSA-N 1 0 191.274 2.161 50 0 AEAARO c1ccc2c(c1)sc1[n+]2CCC1 308616 351275118 /nfs/dbraw/zinc/27/51/18/351275118.db2.gz LXBBYAIVMBNZJD-UHFFFAOYSA-N 1 0 176.264 2.135 50 0 AEAARO c1ccc(C[NH2+]Cc2ccccn2)cc1 299694 351275362 /nfs/dbraw/zinc/27/53/62/351275362.db2.gz RRLRWANEZGPBAD-UHFFFAOYSA-N 1 0 198.269 2.371 50 0 in-vitro AEAARO c1ccc(C[NH2+]Cc2ccncc2)cc1 575253 351281853 /nfs/dbraw/zinc/28/18/53/351281853.db2.gz LORNZWHHOVIGHG-UHFFFAOYSA-N 1 0 198.269 2.371 50 0 in-vitro AEAARO c1ccc(C[NH2+]C2CCCC2)nc1 795091 351282002 /nfs/dbraw/zinc/28/20/02/351282002.db2.gz KVRUQMQYGGCZBR-UHFFFAOYSA-N 1 0 176.263 2.114 50 0 AEAARO c1ccc(C[NH2+]Cc2cccnc2)cc1 572231 351282401 /nfs/dbraw/zinc/28/24/01/351282401.db2.gz COHYOBKZKMKMIX-UHFFFAOYSA-N 1 0 198.269 2.371 50 0 in-vitro AEAARO c1coc(C[NH2+]C2CCCC2)c1 795093 351282591 /nfs/dbraw/zinc/28/25/91/351282591.db2.gz QTSNVDAUJAGULA-UHFFFAOYSA-N 1 0 165.236 2.312 50 0 in-vitro AEAARO c1ccc([C@H]2C[NH+]3CCC2CC3)cc1 1245020 351283970 /nfs/dbraw/zinc/28/39/70/351283970.db2.gz RAOXQTRNOCTXKZ-CYBMUJFWSA-N 1 0 187.286 2.496 50 0 AEAARO CC(C)C[C@H]1[C@@H](C[NH3+])C1(C)C 1296869 351284064 /nfs/dbraw/zinc/28/40/64/351284064.db2.gz UVHHBKLXNSWEDM-DTWKUNHWSA-N 1 0 155.285 2.263 50 0 AEAARO CC(C)C[C@@H]1[C@H](C[NH3+])C1(C)C 1296872 351284091 /nfs/dbraw/zinc/28/40/91/351284091.db2.gz UVHHBKLXNSWEDM-BDAKNGLRSA-N 1 0 155.285 2.263 50 0 AEAARO CC(C)C[C@@H]1[C@@H](C[NH3+])C1(C)C 1296870 351284123 /nfs/dbraw/zinc/28/41/23/351284123.db2.gz UVHHBKLXNSWEDM-RKDXNWHRSA-N 1 0 155.285 2.263 50 0 AEAARO CC(C)C[C@H]1[C@H](C[NH3+])C1(C)C 1296871 351284337 /nfs/dbraw/zinc/28/43/37/351284337.db2.gz UVHHBKLXNSWEDM-IUCAKERBSA-N 1 0 155.285 2.263 50 0 AEAARO c1ccc([C@H]2CCC[NH2+]2)cc1 1444851 351285522 /nfs/dbraw/zinc/28/55/22/351285522.db2.gz JUTDHSGANMHVIC-SNVBAGLBSA-N 1 0 147.221 2.111 50 0 in-vitro AEAARO CC(C)=C[C@@H]1[C@H](C[NH3+])C1(C)C 1513404 351286178 /nfs/dbraw/zinc/28/61/78/351286178.db2.gz OTWNOSIGSIPAHN-BDAKNGLRSA-N 1 0 153.269 2.184 50 0 AEAARO CC(C)=C[C@H]1[C@@H](C[NH3+])C1(C)C 1513395 351286376 /nfs/dbraw/zinc/28/63/76/351286376.db2.gz OTWNOSIGSIPAHN-DTWKUNHWSA-N 1 0 153.269 2.184 50 0 biogenic AEAARO CC(C)CCC[C@@H](C)[NH3+] 1481887 351286607 /nfs/dbraw/zinc/28/66/07/351286607.db2.gz QNIVIMYXGGFTAK-MRVPVSSYSA-N 1 0 129.247 2.160 50 0 in-man AEAARO c1ccc(C[n+]2ccccc2)cc1 1556113 351287211 /nfs/dbraw/zinc/28/72/11/351287211.db2.gz NDZFNTHGIIQMQI-UHFFFAOYSA-N 1 0 170.235 2.022 50 0 AEAARO c1ccc(C2CC[NH2+]CC2)cc1 1575604 351288408 /nfs/dbraw/zinc/28/84/08/351288408.db2.gz UTBULQCHEUWJNV-UHFFFAOYSA-N 1 0 161.248 2.154 50 0 in-vitro AEAARO CC(C)CCC[C@H](C)[NH3+] 1634312 351290736 /nfs/dbraw/zinc/29/07/36/351290736.db2.gz QNIVIMYXGGFTAK-QMMMGPOBSA-N 1 0 129.247 2.160 50 0 in-man AEAARO c1ccc2c(c1)C[N@@H+]1CCC[C@@H]1CN2 1647291 351291526 /nfs/dbraw/zinc/29/15/26/351291526.db2.gz QZLFCLRNSOXWFA-LLVKDONJSA-N 1 0 188.274 2.077 50 0 in-vitro AEAARO CC[C@@H](C)[NH2+][C@H](C)CC 1648190 351291578 /nfs/dbraw/zinc/29/15/78/351291578.db2.gz OBYVIBDTOCAXSN-HTQZYQBOSA-N 1 0 129.247 2.173 50 0 AEAARO C[C@@H](c1ccccc1)[C@@H](C)[NH3+] 1670064 351293078 /nfs/dbraw/zinc/29/30/78/351293078.db2.gz BKRHEVJTTWAYFJ-RKDXNWHRSA-N 1 0 149.237 2.137 50 0 in-vitro AEAARO CC(C)C[NH2+]CCc1ccccc1 1672751 351293402 /nfs/dbraw/zinc/29/34/02/351293402.db2.gz MYJFFRMEBNWEQO-UHFFFAOYSA-N 1 0 177.291 2.475 50 0 in-vitro AEAARO C[C@@H]1C[C@H](c2ccccc2)C[NH2+]1 1687489 351294068 /nfs/dbraw/zinc/29/40/68/351294068.db2.gz MCFFHJJRTWGOAS-KOLCDFICSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO CC(C)CC([NH3+])CC(C)C 1681463 351294177 /nfs/dbraw/zinc/29/41/77/351294177.db2.gz MBQBDXBBWYTVSP-UHFFFAOYSA-N 1 0 143.274 2.406 50 0 in-vitro AEAARO C[C@@H]1C[C@@H](c2ccccc2)C[NH2+]1 1687487 351294277 /nfs/dbraw/zinc/29/42/77/351294277.db2.gz MCFFHJJRTWGOAS-MWLCHTKSSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO C[C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 1766324 351299435 /nfs/dbraw/zinc/29/94/35/351299435.db2.gz ROZZTFNAIYMQEK-BBBLOLIVSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO CC(C)C1CCC([NH3+])CC1 1870722 351300305 /nfs/dbraw/zinc/30/03/05/351300305.db2.gz MFRKYEJMLQUSJX-UHFFFAOYSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CC(C)CCCCC[NH3+] 2003925 351301257 /nfs/dbraw/zinc/30/12/57/351301257.db2.gz LPULCTXGGDJCTO-UHFFFAOYSA-N 1 0 129.247 2.162 50 0 AEAARO CC(C)C1(c2ccccc2)C[NH2+]C1 2029454 351302162 /nfs/dbraw/zinc/30/21/62/351302162.db2.gz JWJFFUAMBFMULY-UHFFFAOYSA-N 1 0 175.275 2.184 50 0 AEAARO CC(C)([NH3+])Cc1c[nH]c2ccccc12 2040858 351303250 /nfs/dbraw/zinc/30/32/50/351303250.db2.gz WREHPEFXXFJIIJ-UHFFFAOYSA-N 1 0 188.274 2.448 50 0 AEAARO c1csc([C@@H]2CCC[NH2+]2)c1 2169310 351304218 /nfs/dbraw/zinc/30/42/18/351304218.db2.gz BNUVOMNEUJWHCF-ZETCQYMHSA-N 1 0 153.250 2.173 50 0 in-vitro AEAARO CC(C)C[NH2+]C[C@@H]1CCOC(C)(C)C1 2109093 351304566 /nfs/dbraw/zinc/30/45/66/351304566.db2.gz PDIAUMAGVLKNQE-LLVKDONJSA-N 1 0 199.338 2.437 50 0 biogenic AEAARO Cc1ccc(Cl)c(C[NH3+])c1F 2382067 351306461 /nfs/dbraw/zinc/30/64/61/351306461.db2.gz DVMQLADOLJGLSY-UHFFFAOYSA-N 1 0 173.618 2.246 50 0 AEAARO c1ccc(C[n+]2ccsc2)cc1 2381652 351306544 /nfs/dbraw/zinc/30/65/44/351306544.db2.gz VRBQHWBVNLNLOZ-UHFFFAOYSA-N 1 0 176.264 2.084 50 0 AEAARO c1ccc2c(c1)CC[NH2+][C@H]2C1CC1 2391834 351307207 /nfs/dbraw/zinc/30/72/07/351307207.db2.gz KFPVVOFDTSXFCU-LBPRGKRZSA-N 1 0 173.259 2.283 50 0 AEAARO c1ccc([C@H]2CCC[NH2+]C2)cc1 2513004 351308419 /nfs/dbraw/zinc/30/84/19/351308419.db2.gz NZYBILDYPCVNMU-NSHDSACASA-N 1 0 161.248 2.154 50 0 in-vitro AEAARO CC(C)C[C@H]1CCCC[NH2+]1 2534017 351310327 /nfs/dbraw/zinc/31/03/27/351310327.db2.gz BGMFNTCQUCUODA-SECBINFHSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CC[C@@H](C)[NH2+]Cc1ccco1 2554096 351311519 /nfs/dbraw/zinc/31/15/19/351311519.db2.gz ARIPWNULFVPJQJ-MRVPVSSYSA-N 1 0 153.225 2.168 50 0 AEAARO CC[C@@H]([NH2+]C)c1ccc(OC)cc1 2566476 351312172 /nfs/dbraw/zinc/31/21/72/351312172.db2.gz UNXOGHQXFQRMTM-LLVKDONJSA-N 1 0 179.263 2.366 50 0 in-vitro AEAARO c1ccc2c(c1)CC1(CC[NH2+]CC1)C2 2577425 351312955 /nfs/dbraw/zinc/31/29/55/351312955.db2.gz AJOICBZPOILCTP-UHFFFAOYSA-N 1 0 187.286 2.155 50 0 in-vitro AEAARO c1cc2c3c(cccc3c1)C[NH2+]C2 2572619 351313148 /nfs/dbraw/zinc/31/31/48/351313148.db2.gz NBWCGDRKSOXZNI-UHFFFAOYSA-N 1 0 169.227 2.443 50 0 AEAARO c1ccc([C@@H]2CSCC[NH2+]2)cc1 2585753 351313972 /nfs/dbraw/zinc/31/39/72/351313972.db2.gz JIBMCWSAEWAKIP-JTQLQIEISA-N 1 0 179.288 2.064 50 0 in-vitro AEAARO c1ccc([C@@H]2C[NH2+]CCS2)cc1 2585747 351314149 /nfs/dbraw/zinc/31/41/49/351314149.db2.gz SRYHBJDVLOEJNP-JTQLQIEISA-N 1 0 179.288 2.064 50 0 in-vivo AEAARO CC(C)[NH2+]Cc1cccs1 3078797 351315847 /nfs/dbraw/zinc/31/58/47/351315847.db2.gz SUZIRJQKJYVJCT-UHFFFAOYSA-N 1 0 155.266 2.246 50 0 in-vitro AEAARO C[C@@H]1CCCC[C@H]1NC1=[NH+]CCS1 3259304 351317891 /nfs/dbraw/zinc/31/78/91/351317891.db2.gz AFOLMFKYZXWSRG-RKDXNWHRSA-N 1 0 198.335 2.258 50 0 AEAARO C[C@@H]1CCCC[C@@H]1NC1=[NH+]CCS1 3259307 351318244 /nfs/dbraw/zinc/31/82/44/351318244.db2.gz AFOLMFKYZXWSRG-BDAKNGLRSA-N 1 0 198.335 2.258 50 0 AEAARO C[C@@H]1C[NH2+][C@H](c2cccc(F)c2)C1 3704345 351319001 /nfs/dbraw/zinc/31/90/01/351319001.db2.gz RIMKUHAYBHYAHQ-KWQFWETISA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO CCOc1ccc(C)cc1[C@H](C)[NH3+] 3705379 351319101 /nfs/dbraw/zinc/31/91/01/351319101.db2.gz FDDGURVZELXKTB-VIFPVBQESA-N 1 0 179.263 2.413 50 0 AEAARO CC[C@@H](C)[C@@H]1CCCC[NH2+]1 3734454 351319145 /nfs/dbraw/zinc/31/91/45/351319145.db2.gz CGPFWODSWBWMPM-BDAKNGLRSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO CCOc1ccccc1[C@H](C)[NH3+] 3705303 351319172 /nfs/dbraw/zinc/31/91/72/351319172.db2.gz LMUHGWYMCFSWBA-QMMMGPOBSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO c1cncc([C@@H]2CCCCC[NH2+]2)c1 3734849 351319182 /nfs/dbraw/zinc/31/91/82/351319182.db2.gz BELIZRHOJQZKIU-NSHDSACASA-N 1 0 176.263 2.286 50 0 in-vitro AEAARO CCOc1ccc([C@H](C)[NH3+])cc1F 3705583 351319213 /nfs/dbraw/zinc/31/92/13/351319213.db2.gz OFDISMSWWNOGFW-ZETCQYMHSA-N 1 0 183.226 2.244 50 0 in-vitro AEAARO CCOc1ccc([C@H](C)[NH3+])cc1OC 3705645 351319225 /nfs/dbraw/zinc/31/92/25/351319225.db2.gz VINGCSGMSKZRIG-QMMMGPOBSA-N 1 0 195.262 2.114 50 0 in-vitro AEAARO C[C@@H]1C[NH2+][C@@H](c2cccc(F)c2)C1 3704347 351319257 /nfs/dbraw/zinc/31/92/57/351319257.db2.gz RIMKUHAYBHYAHQ-GZMMTYOYSA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@H]1c1ccccc1 3733551 351319261 /nfs/dbraw/zinc/31/92/61/351319261.db2.gz CWOJBVGDNJVMNZ-MWLCHTKSSA-N 1 0 161.248 2.357 50 0 AEAARO c1cncc([C@H]2CCCCC[NH2+]2)c1 3734848 351319336 /nfs/dbraw/zinc/31/93/36/351319336.db2.gz BELIZRHOJQZKIU-LLVKDONJSA-N 1 0 176.263 2.286 50 0 in-vitro AEAARO c1cc([C@H]2CCC[NH2+]2)cs1 3732486 351319353 /nfs/dbraw/zinc/31/93/53/351319353.db2.gz XXZBVULUYZUNDS-MRVPVSSYSA-N 1 0 153.250 2.173 50 0 in-vitro AEAARO C[C@@H]1C[NH2+][C@@H](c2ccccc2)C1 3705298 351319388 /nfs/dbraw/zinc/31/93/88/351319388.db2.gz OVCVERGEPCICMG-GXSJLCMTSA-N 1 0 161.248 2.357 50 0 in-vitro AEAARO CCOc1ccccc1[C@@H](C)[NH3+] 3705302 351319406 /nfs/dbraw/zinc/31/94/06/351319406.db2.gz LMUHGWYMCFSWBA-MRVPVSSYSA-N 1 0 165.236 2.105 50 0 in-vitro AEAARO C[C@@H]1C[NH2+][C@H](c2ccccc2F)C1 3704329 351319417 /nfs/dbraw/zinc/31/94/17/351319417.db2.gz HMNRMNSUXLYVTH-KWQFWETISA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@H]1c1cccc(F)c1 3733790 351319544 /nfs/dbraw/zinc/31/95/44/351319544.db2.gz IQQBNOLXXCPPQW-LDYMZIIASA-N 1 0 179.238 2.496 50 0 in-vitro AEAARO CCOc1ccc([C@@H](C)[NH3+])cc1OC 3705644 351319580 /nfs/dbraw/zinc/31/95/80/351319580.db2.gz VINGCSGMSKZRIG-MRVPVSSYSA-N 1 0 195.262 2.114 50 0 in-vitro AEAARO C[C@@H]1C[NH2+][C@H](c2ccccc2)C1 3705296 351319599 /nfs/dbraw/zinc/31/95/99/351319599.db2.gz OVCVERGEPCICMG-ONGXEEELSA-N 1 0 161.248 2.357 50 0 in-vitro AEAARO c1cc([C@@H]2CCC[NH2+]2)cs1 3732487 351319642 /nfs/dbraw/zinc/31/96/42/351319642.db2.gz XXZBVULUYZUNDS-QMMMGPOBSA-N 1 0 153.250 2.173 50 0 in-vitro AEAARO CCOc1ccc(C)cc1[C@@H](C)[NH3+] 3705378 351319651 /nfs/dbraw/zinc/31/96/51/351319651.db2.gz FDDGURVZELXKTB-SECBINFHSA-N 1 0 179.263 2.413 50 0 AEAARO c1cc([C@H]2CCCCC[NH2+]2)ccn1 3734847 351319662 /nfs/dbraw/zinc/31/96/62/351319662.db2.gz NBCTZCUNZUISCL-LLVKDONJSA-N 1 0 176.263 2.286 50 0 in-vitro AEAARO c1cncc([C@H]2CC3CC[NH+]2CC3)c1 3828421 351320320 /nfs/dbraw/zinc/32/03/20/351320320.db2.gz YJYPZLAZNIGNRP-GFCCVEGCSA-N 1 0 188.274 2.238 50 0 in-vitro AEAARO c1ccc(C[C@H]2CCCCC[NH2+]2)nc1 3735157 351320877 /nfs/dbraw/zinc/32/08/77/351320877.db2.gz MMACVRBAKZRSSC-LLVKDONJSA-N 1 0 190.290 2.156 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](O)C2)C1 4022959 351323476 /nfs/dbraw/zinc/32/34/76/351323476.db2.gz WFKFPZONMAFEJT-UTUOFQBUSA-N 1 0 197.322 2.022 50 0 AEAARO C[C@@H]1C[N@H+](C)[C@H](C)c2cc[nH]c21 4016121 351323857 /nfs/dbraw/zinc/32/38/57/351323857.db2.gz WVTOBSCFCZZSOE-HTQZYQBOSA-N 1 0 164.252 2.125 50 0 AEAARO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](O)C2)C1 4022957 351323949 /nfs/dbraw/zinc/32/39/49/351323949.db2.gz WFKFPZONMAFEJT-WOPDTQHZSA-N 1 0 197.322 2.022 50 0 AEAARO c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 4202604 351324847 /nfs/dbraw/zinc/32/48/47/351324847.db2.gz BKDMXVREWXKZLB-LBPRGKRZSA-N 1 0 175.275 2.229 50 0 in-vitro AEAARO C[C@@H]1C(=O)CC[N@H+](C(C)(C)C)[C@H]1C 4127215 351324859 /nfs/dbraw/zinc/32/48/59/351324859.db2.gz IIDIYWNNDKQFOZ-IUCAKERBSA-N 1 0 183.295 2.084 50 0 AEAARO C[C@@H]1C(=O)CC[N@H+](C(C)(C)C)[C@@H]1C 4127217 351324982 /nfs/dbraw/zinc/32/49/82/351324982.db2.gz IIDIYWNNDKQFOZ-DTWKUNHWSA-N 1 0 183.295 2.084 50 0 AEAARO c1cc2c(s1)CC[NH2+][C@@H]2C1CC1 4218412 351325610 /nfs/dbraw/zinc/32/56/10/351325610.db2.gz YLISNFNPLLPBMW-SNVBAGLBSA-N 1 0 179.288 2.345 50 0 in-vitro AEAARO c1coc([C@H]2CCCCC[NH2+]2)c1 4234890 351325634 /nfs/dbraw/zinc/32/56/34/351325634.db2.gz KEXPGFWECJUYDV-SECBINFHSA-N 1 0 165.236 2.484 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@H](c2cccn2C)CC1 4218647 351325716 /nfs/dbraw/zinc/32/57/16/351325716.db2.gz PBOFPZWAILWPJL-QWRGUYRKSA-N 1 0 192.306 2.476 50 0 in-vitro AEAARO c1csc(C[NH2+]C[C@H]2CCCO2)c1 4206582 351325775 /nfs/dbraw/zinc/32/57/75/351325775.db2.gz XLBLINMXRABVKF-SECBINFHSA-N 1 0 197.303 2.017 50 0 in-vitro AEAARO c1coc([C@@H]2CCCCC[NH2+]2)c1 4234889 351325804 /nfs/dbraw/zinc/32/58/04/351325804.db2.gz KEXPGFWECJUYDV-VIFPVBQESA-N 1 0 165.236 2.484 50 0 in-vitro AEAARO c1cc2c(s1)CC[NH2+][C@H]2C1CC1 4218411 351325807 /nfs/dbraw/zinc/32/58/07/351325807.db2.gz YLISNFNPLLPBMW-JTQLQIEISA-N 1 0 179.288 2.345 50 0 in-vitro AEAARO c1csc(C[NH2+]C[C@@H]2CCCO2)c1 4206580 351325809 /nfs/dbraw/zinc/32/58/09/351325809.db2.gz XLBLINMXRABVKF-VIFPVBQESA-N 1 0 197.303 2.017 50 0 in-vitro AEAARO c1ccc2oc([C@@H]3CCC[NH2+]3)nc2c1 4205328 351325956 /nfs/dbraw/zinc/32/59/56/351325956.db2.gz XKEVDZMTMKDMAT-VIFPVBQESA-N 1 0 188.230 2.252 50 0 AEAARO c1coc([C@H]2CCCC[NH2+]2)c1 4234841 351326026 /nfs/dbraw/zinc/32/60/26/351326026.db2.gz MIJFUNGHFNXZGN-MRVPVSSYSA-N 1 0 151.209 2.094 50 0 endogenous,in-man AEAARO c1ccc([C@H]2CSCC[NH2+]2)cc1 4253660 351326750 /nfs/dbraw/zinc/32/67/50/351326750.db2.gz JIBMCWSAEWAKIP-SNVBAGLBSA-N 1 0 179.288 2.064 50 0 in-vitro AEAARO C[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 4343433 351327569 /nfs/dbraw/zinc/32/75/69/351327569.db2.gz ZGMQLPDXPUINCQ-SFYZADRCSA-N 1 0 141.258 2.160 50 0 AEAARO OCCCC[NH2+]CCC1=CCCCC1 4290973 351327614 /nfs/dbraw/zinc/32/76/14/351327614.db2.gz ZUCMDRAQTBQWBN-UHFFFAOYSA-N 1 0 197.322 2.239 50 0 in-vitro AEAARO C[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 4343436 351328256 /nfs/dbraw/zinc/32/82/56/351328256.db2.gz ZGMQLPDXPUINCQ-HTQZYQBOSA-N 1 0 141.258 2.160 50 0 AEAARO C[C@@H]1C[C@@H](C)[NH2+]C(C)(C)C1 4416549 351328870 /nfs/dbraw/zinc/32/88/70/351328870.db2.gz NGBCPOUXXDBLMT-HTQZYQBOSA-N 1 0 141.258 2.173 50 0 AEAARO c1cncc([C@@H]2CC3CC[NH+]2CC3)c1 4632552 351330643 /nfs/dbraw/zinc/33/06/43/351330643.db2.gz YJYPZLAZNIGNRP-LBPRGKRZSA-N 1 0 188.274 2.238 50 0 in-vitro AEAARO CC(C)=C[C@@H]1[C@@H](C[NH3+])C1(C)C 4645055 351331291 /nfs/dbraw/zinc/33/12/91/351331291.db2.gz OTWNOSIGSIPAHN-RKDXNWHRSA-N 1 0 153.269 2.184 50 0 AEAARO C[C@@H]1[C@@H]([NH3+])C[C@H]2C[C@@H]1C2(C)C 4975264 351336303 /nfs/dbraw/zinc/33/63/03/351336303.db2.gz VPTSZLVPZCTAHZ-KZVJFYERSA-N 1 0 153.269 2.016 50 0 AEAARO c1ccc(N2CCCCCC2)nc1 5031635 351336366 /nfs/dbraw/zinc/33/63/66/351336366.db2.gz WMUXUPJEKFKIAV-UHFFFAOYSA-N 1 0 176.263 2.462 50 0 AEAARO c1ccc(CNc2ccccn2)nc1 5338746 351341397 /nfs/dbraw/zinc/34/13/97/351341397.db2.gz YPBOTAVQNGSFQS-UHFFFAOYSA-N 1 0 185.230 2.089 50 0 AEAARO c1ccc(NCc2ccncc2)nc1 5338757 351341978 /nfs/dbraw/zinc/34/19/78/351341978.db2.gz NOBVRTZYLOFNJX-UHFFFAOYSA-N 1 0 185.230 2.089 50 0 AEAARO C[C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 5369545 351342836 /nfs/dbraw/zinc/34/28/36/351342836.db2.gz ROZZTFNAIYMQEK-OPRDCNLKSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO c1ccc2c(c1)C[N@@H+]1CCC[C@H]1CN2 5541219 351345367 /nfs/dbraw/zinc/34/53/67/351345367.db2.gz QZLFCLRNSOXWFA-NSHDSACASA-N 1 0 188.274 2.077 50 0 in-vitro AEAARO c1ccc(NC2CCCC2)nc1 5605187 351346727 /nfs/dbraw/zinc/34/67/27/351346727.db2.gz IMXRKFFAQQGZAX-UHFFFAOYSA-N 1 0 162.236 2.436 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+]CC(C)(C)C1 6030935 351349409 /nfs/dbraw/zinc/34/94/09/351349409.db2.gz YBRAVTNTXVZNMD-MRVPVSSYSA-N 1 0 141.258 2.032 50 0 AEAARO CCOc1ccc(C=[NH2+])cc1OC 6489597 351352171 /nfs/dbraw/zinc/35/21/71/351352171.db2.gz LBJYYWGSTKRGIZ-UHFFFAOYSA-N 1 0 179.219 2.092 50 0 AEAARO CCOc1ccc([C@@H](C)[NH2+]C)cc1 6601487 351352836 /nfs/dbraw/zinc/35/28/36/351352836.db2.gz VRTFABGAXGIWJK-SECBINFHSA-N 1 0 179.263 2.366 50 0 in-vitro AEAARO c1ccc(C[NH2+][C@@H]2CCSC2)cc1 6784967 351353401 /nfs/dbraw/zinc/35/34/01/351353401.db2.gz XDXHUSNUZZWGAJ-LLVKDONJSA-N 1 0 193.315 2.282 50 0 AEAARO c1ccc(C[NH2+][C@H]2CCSC2)cc1 6784968 351353766 /nfs/dbraw/zinc/35/37/66/351353766.db2.gz XDXHUSNUZZWGAJ-NSHDSACASA-N 1 0 193.315 2.282 50 0 AEAARO c1cc(C[NH2+]C[C@@H]2CCCO2)cs1 7524988 351354784 /nfs/dbraw/zinc/35/47/84/351354784.db2.gz ZFFUGRZKROKZCW-JTQLQIEISA-N 1 0 197.303 2.017 50 0 AEAARO CCOc1cccc(C[NH2+]C2CC2)c1 8325192 351354939 /nfs/dbraw/zinc/35/49/39/351354939.db2.gz KKQXHZGQVICPIR-UHFFFAOYSA-N 1 0 191.274 2.337 50 0 AEAARO CC(C)C[NH2+]Cc1ccsc1 6883669 351355212 /nfs/dbraw/zinc/35/52/12/351355212.db2.gz RDWXCECIJRGLSV-UHFFFAOYSA-N 1 0 169.293 2.494 50 0 AEAARO CCOc1ccccc1C[NH2+]C1CC1 8325585 351355230 /nfs/dbraw/zinc/35/52/30/351355230.db2.gz ZGTPYLLUHPDSBS-UHFFFAOYSA-N 1 0 191.274 2.337 50 0 in-vitro AEAARO CCOc1ccc(C[NH2+]C2CC2)cc1 8324062 351355346 /nfs/dbraw/zinc/35/53/46/351355346.db2.gz GCBCRSKQQBITOT-UHFFFAOYSA-N 1 0 191.274 2.337 50 0 in-vitro AEAARO c1ccc(C[C@@H]2CCCC[NH2+]2)cc1 8462925 351356086 /nfs/dbraw/zinc/35/60/86/351356086.db2.gz ITXCORRITGNIHP-LBPRGKRZSA-N 1 0 175.275 2.371 50 0 in-vivo AEAARO c1ccc(C[C@H]2CCCC[NH2+]2)cc1 8462926 351356284 /nfs/dbraw/zinc/35/62/84/351356284.db2.gz ITXCORRITGNIHP-GFCCVEGCSA-N 1 0 175.275 2.371 50 0 in-vivo AEAARO CCOc1ccc(C[NH3+])cc1Cl 8728881 351358461 /nfs/dbraw/zinc/35/84/61/351358461.db2.gz UYKPNTVWIUIXFD-UHFFFAOYSA-N 1 0 185.654 2.197 50 0 in-vitro AEAARO CC(C)COc1ccc(C[NH3+])cc1 8728886 351358581 /nfs/dbraw/zinc/35/85/81/351358581.db2.gz JBVKKHDTYSDPHA-UHFFFAOYSA-N 1 0 179.263 2.180 50 0 in-vitro AEAARO c1ccc2c(c1)CC[NH2+][C@@H]2C1CC1 11597105 351359666 /nfs/dbraw/zinc/35/96/66/351359666.db2.gz KFPVVOFDTSXFCU-GFCCVEGCSA-N 1 0 173.259 2.283 50 0 AEAARO c1csc(C[C@@H]2CCC[NH2+]2)c1 11630844 351359744 /nfs/dbraw/zinc/35/97/44/351359744.db2.gz QESLZSQKJUJIJX-QMMMGPOBSA-N 1 0 167.277 2.043 50 0 AEAARO Cc1ccccc1C[NH2+]C(C)C 10436213 351359811 /nfs/dbraw/zinc/35/98/11/351359811.db2.gz UZZWRYCILDHXEC-UHFFFAOYSA-N 1 0 163.264 2.493 50 0 AEAARO CC(C)C[N@@H+]1Cc2cccc(N)c2C1 11730928 351361093 /nfs/dbraw/zinc/36/10/93/351361093.db2.gz ZBDAIRHLVCVACH-UHFFFAOYSA-N 1 0 190.290 2.240 50 0 in-vitro AEAARO CC(C)C[N@@H+]1Cc2ccc(N)cc2C1 11731036 351361152 /nfs/dbraw/zinc/36/11/52/351361152.db2.gz RHQMBQAUVIBVSH-UHFFFAOYSA-N 1 0 190.290 2.240 50 0 AEAARO c1ccc(NCC[NH+]2CCCC2)cc1 11920351 351361934 /nfs/dbraw/zinc/36/19/34/351361934.db2.gz NOJMAMCOSWQCTO-UHFFFAOYSA-N 1 0 190.290 2.194 50 0 in-vitro AEAARO CC(C)([NH3+])c1ccc(F)cc1 11885782 351362211 /nfs/dbraw/zinc/36/22/11/351362211.db2.gz NYFSRXOWJXAHOO-UHFFFAOYSA-N 1 0 153.200 2.020 50 0 in-vitro AEAARO CCOc1ccc(C[C@@H](C)C[NH3+])cc1 11975067 351363151 /nfs/dbraw/zinc/36/31/51/351363151.db2.gz CRKVZBHKBHTAEX-SNVBAGLBSA-N 1 0 193.290 2.223 50 0 AEAARO CCOc1ccc(C[C@H](C)C[NH3+])cc1 11975071 351363517 /nfs/dbraw/zinc/36/35/17/351363517.db2.gz CRKVZBHKBHTAEX-JTQLQIEISA-N 1 0 193.290 2.223 50 0 AEAARO CC(C)([NH3+])CNc1cccc(Cl)c1 12381813 351364181 /nfs/dbraw/zinc/36/41/81/351364181.db2.gz IKWXSOGQJGFBFT-UHFFFAOYSA-N 1 0 198.697 2.489 50 0 in-vitro AEAARO CC(C)CC[NH2+]Cc1ccncc1 12382221 351364576 /nfs/dbraw/zinc/36/45/76/351364576.db2.gz CNLLLPOSLIWZFH-UHFFFAOYSA-N 1 0 178.279 2.217 50 0 AEAARO CC(C)CC[NH2+]Cc1cccnc1 12382220 351364617 /nfs/dbraw/zinc/36/46/17/351364617.db2.gz FWAXCJBRNYIZRN-UHFFFAOYSA-N 1 0 178.279 2.217 50 0 AEAARO OCCCC[NH2+]CC[C@@H]1C=CCCC1 12403778 351365297 /nfs/dbraw/zinc/36/52/97/351365297.db2.gz NVELTLDYYSDWNY-GFCCVEGCSA-N 1 0 197.322 2.095 50 0 in-vitro AEAARO c1ccc2c(c1)C[NH+]=C(C1CC1)N2 12896047 351366572 /nfs/dbraw/zinc/36/65/72/351366572.db2.gz XKBBMSIEBMRHJU-UHFFFAOYSA-N 1 0 172.231 2.230 50 0 in-vitro AEAARO CCOc1ccc([C@@H]([NH3+])CC)cc1 13330581 351368708 /nfs/dbraw/zinc/36/87/08/351368708.db2.gz CXGWGKBEIXPOKA-NSHDSACASA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CCOc1ccc([C@H]([NH3+])CC)cc1 13330583 351369090 /nfs/dbraw/zinc/36/90/90/351369090.db2.gz CXGWGKBEIXPOKA-LLVKDONJSA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO CC(C)CC[NH2+]Cc1ccco1 13718266 351371684 /nfs/dbraw/zinc/37/16/84/351371684.db2.gz SALRNWVFVBHCQW-UHFFFAOYSA-N 1 0 167.252 2.415 50 0 AEAARO Cc1ccccc1C[NH+](C)C 14218126 351372673 /nfs/dbraw/zinc/37/26/73/351372673.db2.gz IDKBVYHLNSAKTG-UHFFFAOYSA-N 1 0 149.237 2.057 50 0 AEAARO c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 14631149 351374531 /nfs/dbraw/zinc/37/45/31/351374531.db2.gz VLXUUHNIFYPKBG-NSHDSACASA-N 1 0 191.274 2.065 50 0 in-vitro AEAARO c1ccc(OCC2CC[NH2+]CC2)cc1 14631409 351375093 /nfs/dbraw/zinc/37/50/93/351375093.db2.gz BREBKAKBNYXIOP-UHFFFAOYSA-N 1 0 191.274 2.065 50 0 in-vitro AEAARO CC(C)CCOC[C@H]1CCC[NH2+]C1 14631087 351375264 /nfs/dbraw/zinc/37/52/64/351375264.db2.gz QCXNMIQIRYFYMJ-NSHDSACASA-N 1 0 185.311 2.049 50 0 AEAARO c1ccc([C@H]2C[NH2+]CCS2)cc1 14808347 351375539 /nfs/dbraw/zinc/37/55/39/351375539.db2.gz SRYHBJDVLOEJNP-SNVBAGLBSA-N 1 0 179.288 2.064 50 0 in-vivo AEAARO c1ccc2c(-n3ccnc3)nccc2c1 15085133 351377919 /nfs/dbraw/zinc/37/79/19/351377919.db2.gz IQGSJXRJUPCKGA-UHFFFAOYSA-N 1 0 195.225 2.421 50 0 AEAARO c1cc2cc(C[NH2+]C3CC3)ccc2[nH]1 15108098 351378193 /nfs/dbraw/zinc/37/81/93/351378193.db2.gz TVNKCYWCLOJUFV-UHFFFAOYSA-N 1 0 186.258 2.420 50 0 in-vitro AEAARO CCOc1ccc(C(C)(C)[NH3+])cc1 15635577 351378983 /nfs/dbraw/zinc/37/89/83/351378983.db2.gz MZTZDLBTPXQHQJ-UHFFFAOYSA-N 1 0 179.263 2.279 50 0 in-vitro AEAARO CC(C)([NH3+])Cc1ccccc1F 16786932 351379700 /nfs/dbraw/zinc/37/97/00/351379700.db2.gz KGACVJORPOXOMB-UHFFFAOYSA-N 1 0 167.227 2.106 50 0 AEAARO C[C@@H](SC(N)=[NH2+])c1ccccc1 16577007 351380342 /nfs/dbraw/zinc/38/03/42/351380342.db2.gz IOAUDALBUATIFR-SSDOTTSWSA-N 1 0 180.276 2.374 50 0 AEAARO CC(C)C[C@@H]([NH3+])CC(F)(F)F 17408054 351383607 /nfs/dbraw/zinc/38/36/07/351383607.db2.gz IIHCZSXJUOMOPJ-ZCFIWIBFSA-N 1 0 169.190 2.312 50 0 AEAARO CC(C)C[C@H]([NH3+])CC(F)(F)F 17408055 351383692 /nfs/dbraw/zinc/38/36/92/351383692.db2.gz IIHCZSXJUOMOPJ-LURJTMIESA-N 1 0 169.190 2.312 50 0 AEAARO C[C@@H](c1cccc(C=O)c1)[NH+](C)C 19090344 351386391 /nfs/dbraw/zinc/38/63/91/351386391.db2.gz VVBTYDOIRBJCJZ-VIFPVBQESA-N 1 0 177.247 2.122 50 0 in-vitro AEAARO C[C@@H](c1ccc(C=O)cc1)[NH+](C)C 19090337 351386543 /nfs/dbraw/zinc/38/65/43/351386543.db2.gz FFQIQLFXHDPNON-VIFPVBQESA-N 1 0 177.247 2.122 50 0 in-vitro AEAARO CC[C@@H](C)Oc1ccc(C[NH3+])cc1 19092777 351387274 /nfs/dbraw/zinc/38/72/74/351387274.db2.gz VXHRYPZJJPDUDF-SECBINFHSA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC(C)COc1ccccc1C[NH3+] 19257871 351387614 /nfs/dbraw/zinc/38/76/14/351387614.db2.gz KJYRIJFDSZQEHR-UHFFFAOYSA-N 1 0 179.263 2.180 50 0 in-vitro AEAARO c1ccc2c(c1)CCC21CC[NH2+]CC1 19093249 351387682 /nfs/dbraw/zinc/38/76/82/351387682.db2.gz ZBYFQSPEUIVDTF-UHFFFAOYSA-N 1 0 187.286 2.254 50 0 in-vitro AEAARO CC[C@@H](C)Oc1cccc(C[NH3+])c1 19091947 351387709 /nfs/dbraw/zinc/38/77/09/351387709.db2.gz RNQTZBUPQQZDHV-SECBINFHSA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO CC(C)C[C@@H]([NH3+])c1cccnc1 19091667 351387715 /nfs/dbraw/zinc/38/77/15/351387715.db2.gz NQRGXEXMDFMIRL-SNVBAGLBSA-N 1 0 164.252 2.128 50 0 in-vitro AEAARO CC(C)C[C@H]([NH3+])c1cccnc1 19091670 351387775 /nfs/dbraw/zinc/38/77/75/351387775.db2.gz NQRGXEXMDFMIRL-JTQLQIEISA-N 1 0 164.252 2.128 50 0 in-vitro AEAARO CC[C@@H](C)Oc1ccccc1C[NH3+] 19092830 351387873 /nfs/dbraw/zinc/38/78/73/351387873.db2.gz XHKNZQJAMBTBKQ-SECBINFHSA-N 1 0 179.263 2.323 50 0 in-vitro AEAARO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccccc1 19414920 351389487 /nfs/dbraw/zinc/38/94/87/351389487.db2.gz BXYWWPNLOCZWIV-IEBDPFPHSA-N 1 0 161.248 2.342 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H]2CCC[NH2+][C@@H]12 19484824 351390849 /nfs/dbraw/zinc/39/08/49/351390849.db2.gz UUNKAGONMZHCIP-BBBLOLIVSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@@H]1CCC[C@H]2CCC[NH2+][C@H]21 19484828 351390931 /nfs/dbraw/zinc/39/09/31/351390931.db2.gz UUNKAGONMZHCIP-UTLUCORTSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21 19735186 351394048 /nfs/dbraw/zinc/39/40/48/351394048.db2.gz LPIJOZBIVDCQTE-QMMMGPOBSA-N 1 0 186.258 2.375 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCO 19737129 351394112 /nfs/dbraw/zinc/39/41/12/351394112.db2.gz PXKHKDPKKROFIS-GHMZBOCLSA-N 1 0 185.311 2.022 50 0 AEAARO c1csc([C@H]2[NH2+]CCS2)c1 19797580 351395442 /nfs/dbraw/zinc/39/54/42/351395442.db2.gz ULMSGFRYPNGQEL-ZETCQYMHSA-N 1 0 171.290 2.083 50 0 AEAARO c1csc([C@@H]2[NH2+]CCS2)c1 19797582 351395675 /nfs/dbraw/zinc/39/56/75/351395675.db2.gz ULMSGFRYPNGQEL-SSDOTTSWSA-N 1 0 171.290 2.083 50 0 AEAARO CC[C@@H](C)[NH2+]Cc1ccc(C)o1 19881939 351396766 /nfs/dbraw/zinc/39/67/66/351396766.db2.gz RGSBGXLXKSDCAN-MRVPVSSYSA-N 1 0 167.252 2.476 50 0 AEAARO CC(C)C[NH2+]Cc1cccc(O)c1 19883245 351397608 /nfs/dbraw/zinc/39/76/08/351397608.db2.gz WKVPWIITWGBWBY-UHFFFAOYSA-N 1 0 179.263 2.138 50 0 in-vitro AEAARO CC(C)CC[NH2+]CC(C)C 19911865 351398054 /nfs/dbraw/zinc/39/80/54/351398054.db2.gz GWMSJUSASQVTDR-UHFFFAOYSA-N 1 0 143.274 2.278 50 0 AEAARO CC(C)C[NH2+]C1CCCC1 19883359 351398068 /nfs/dbraw/zinc/39/80/68/351398068.db2.gz CVKXFVVZAOTNNJ-UHFFFAOYSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO c1cc(NC2CCCC2)cc[nH+]1 20018877 351398957 /nfs/dbraw/zinc/39/89/57/351398957.db2.gz ZYPKTMZFRMKZMM-UHFFFAOYSA-N 1 0 162.236 2.436 50 0 in-vitro AEAARO CC[C@@H](C)[C@H](C)[NH2+]C1CC1 20083085 351399905 /nfs/dbraw/zinc/39/99/05/351399905.db2.gz WUJHOANSHGBYHT-SFYZADRCSA-N 1 0 141.258 2.173 50 0 in-vitro AEAARO CC[C@@H](C)C[NH2+]Cc1ccco1 20084018 351400044 /nfs/dbraw/zinc/40/00/44/351400044.db2.gz HXJPXIFVFIFERZ-SECBINFHSA-N 1 0 167.252 2.415 50 0 AEAARO CC[C@@H](C)[C@@H](C)[NH2+]C1CC1 20083078 351400359 /nfs/dbraw/zinc/40/03/59/351400359.db2.gz WUJHOANSHGBYHT-HTQZYQBOSA-N 1 0 141.258 2.173 50 0 in-vitro AEAARO c1ccc2nc(C[NH2+]C3CC3)ccc2c1 20246151 351402462 /nfs/dbraw/zinc/40/24/62/351402462.db2.gz DLSGLERNEBPIRS-UHFFFAOYSA-N 1 0 198.269 2.487 50 0 AEAARO CC(C)CC[C@H]1CCC[NH2+]1 20251805 351402494 /nfs/dbraw/zinc/40/24/94/351402494.db2.gz OYHNQRWWFPHQPL-SECBINFHSA-N 1 0 141.258 2.175 50 0 AEAARO CC(C)CC[C@@H]1CCC[NH2+]1 20251803 351402760 /nfs/dbraw/zinc/40/27/60/351402760.db2.gz OYHNQRWWFPHQPL-VIFPVBQESA-N 1 0 141.258 2.175 50 0 AEAARO c1ccc(OCCC[NH2+]C2CC2)cc1 20361135 351403754 /nfs/dbraw/zinc/40/37/54/351403754.db2.gz SKFNQRSKPBELPO-UHFFFAOYSA-N 1 0 191.274 2.208 50 0 AEAARO CC(C)Oc1ccc(C[NH3+])cc1F 20470087 351406476 /nfs/dbraw/zinc/40/64/76/351406476.db2.gz FRQFQUTWKWQNET-UHFFFAOYSA-N 1 0 183.226 2.072 50 0 AEAARO c1coc(CNc2cc[nH+]cc2)c1 21501611 351407297 /nfs/dbraw/zinc/40/72/97/351407297.db2.gz ZYYYMIQEZMGFHP-UHFFFAOYSA-N 1 0 174.203 2.287 50 0 in-vitro AEAARO c1ccc2c(c1)CC[C@H]2[NH2+]C1CC1 21959989 351408717 /nfs/dbraw/zinc/40/87/17/351408717.db2.gz MTEKEZBZHMHEHF-GFCCVEGCSA-N 1 0 173.259 2.426 50 0 in-vitro AEAARO c1ccc(CNc2cc[nH+]cc2)nc1 21815281 351408982 /nfs/dbraw/zinc/40/89/82/351408982.db2.gz FWPHEMAPOLGJPF-UHFFFAOYSA-N 1 0 185.230 2.089 50 0 AEAARO C[C@@H]1CCC[C@H]([NH2+]C2CC2)C1 21956793 351409113 /nfs/dbraw/zinc/40/91/13/351409113.db2.gz CMLXXGUQXTZGFC-SCZZXKLOSA-N 1 0 153.269 2.317 50 0 AEAARO CC(C)COc1cccc(C[NH3+])c1 22168701 351412104 /nfs/dbraw/zinc/41/21/04/351412104.db2.gz DLOAJJCCFGJMBQ-UHFFFAOYSA-N 1 0 179.263 2.180 50 0 in-vitro AEAARO CC(C)COc1ccc(CC[NH3+])cc1 22166655 351412085 /nfs/dbraw/zinc/41/20/85/351412085.db2.gz ZHKGWDGMUKUETJ-UHFFFAOYSA-N 1 0 193.290 2.223 50 0 in-vitro AEAARO C[C@@H]1C[N@H+](C(C)(C)C)[C@H](C)CC1=O 22205474 351413239 /nfs/dbraw/zinc/41/32/39/351413239.db2.gz XUNSWMLOUXQOJP-RKDXNWHRSA-N 1 0 183.295 2.084 50 0 AEAARO CCOc1ccccc1[C@H]([NH3+])CC 22213433 351413795 /nfs/dbraw/zinc/41/37/95/351413795.db2.gz LOOPRHOZPKBHTR-SNVBAGLBSA-N 1 0 179.263 2.495 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H](O)C2)C1 23282982 351414295 /nfs/dbraw/zinc/41/42/95/351414295.db2.gz WFKFPZONMAFEJT-IJLUTSLNSA-N 1 0 197.322 2.022 50 0 AEAARO C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 23281369 351414655 /nfs/dbraw/zinc/41/46/55/351414655.db2.gz JMPSDJQPJOLPOA-LLVKDONJSA-N 1 0 190.290 2.314 50 0 AEAARO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H](O)C2)C1 23282985 351414900 /nfs/dbraw/zinc/41/49/00/351414900.db2.gz WFKFPZONMAFEJT-GRYCIOLGSA-N 1 0 197.322 2.022 50 0 AEAARO c1cc2ccc(C[NH2+]C3CC3)cc2[nH]1 26481257 351419778 /nfs/dbraw/zinc/41/97/78/351419778.db2.gz JSZLENRSYZZTSC-UHFFFAOYSA-N 1 0 186.258 2.420 50 0 AEAARO c1ccc2c3c(ccc2c1)CC[NH2+]C3 29337640 351421820 /nfs/dbraw/zinc/42/18/20/351421820.db2.gz BNWUYMPBSBQTEX-UHFFFAOYSA-N 1 0 183.254 2.486 50 0 AEAARO CCOc1ccc2[nH+]ccc(N)c2c1 32099415 351425261 /nfs/dbraw/zinc/42/52/61/351425261.db2.gz RNUBRPFTBRGLKD-UHFFFAOYSA-N 1 0 188.230 2.216 50 0 in-vitro AEAARO CC(C)C[C@H]([NH3+])[C@@H](O)c1cccs1 32009797 351425310 /nfs/dbraw/zinc/42/53/10/351425310.db2.gz WCWGGHDZPYNFMJ-WCBMZHEXSA-N 1 0 199.319 2.155 50 0 in-vitro AEAARO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cccs1 32009796 351425406 /nfs/dbraw/zinc/42/54/06/351425406.db2.gz WCWGGHDZPYNFMJ-PSASIEDQSA-N 1 0 199.319 2.155 50 0 in-vitro AEAARO CC(C)C[C@@H]([NH3+])[C@H](O)c1cccs1 32009799 351425612 /nfs/dbraw/zinc/42/56/12/351425612.db2.gz WCWGGHDZPYNFMJ-SCZZXKLOSA-N 1 0 199.319 2.155 50 0 in-vitro AEAARO CC(C)C[C@H]([NH3+])[C@H](O)c1cccs1 32009801 351425701 /nfs/dbraw/zinc/42/57/01/351425701.db2.gz WCWGGHDZPYNFMJ-WPRPVWTQSA-N 1 0 199.319 2.155 50 0 in-vitro AEAARO C[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 32161709 351426596 /nfs/dbraw/zinc/42/65/96/351426596.db2.gz FJRLSRUBXMUSOC-BBBLOLIVSA-N 1 0 153.269 2.317 50 0 AEAARO C[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 32161713 351426692 /nfs/dbraw/zinc/42/66/92/351426692.db2.gz WPBVRISDNZUAEU-KXUCPTDWSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO CC1(C)C[C@]1([NH3+])c1ccccc1 32188987 351427322 /nfs/dbraw/zinc/42/73/22/351427322.db2.gz MCSHOUUMXJSRQD-NSHDSACASA-N 1 0 161.248 2.271 50 0 AEAARO CC1(C)C[C@@]1([NH3+])c1ccccc1 32188986 351427763 /nfs/dbraw/zinc/42/77/63/351427763.db2.gz MCSHOUUMXJSRQD-LLVKDONJSA-N 1 0 161.248 2.271 50 0 AEAARO c1cc2n(c1)CC[NH2+]C21CCCCC1 32500424 351428630 /nfs/dbraw/zinc/42/86/30/351428630.db2.gz OZCKMMNQSXHJHE-UHFFFAOYSA-N 1 0 190.290 2.251 50 0 in-vitro AEAARO O[C@@H]1CCC[N@H+](CC2CCCCC2)C1 32819339 351428961 /nfs/dbraw/zinc/42/89/61/351428961.db2.gz RHEPVGOPIKIEJP-GFCCVEGCSA-N 1 0 197.322 2.023 50 0 AEAARO CC(C)C[C@@H]1[NH2+]CCn2cccc21 32500394 351429052 /nfs/dbraw/zinc/42/90/52/351429052.db2.gz JZVMQAJHQGTWPA-JTQLQIEISA-N 1 0 178.279 2.179 50 0 AEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccncc1 32627096 351429062 /nfs/dbraw/zinc/42/90/62/351429062.db2.gz DPAXLMQSSWVKQW-LLVKDONJSA-N 1 0 190.290 2.456 50 0 in-vitro AEAARO CC(C)C[C@H]1[NH2+]CCn2cccc21 32500395 351429188 /nfs/dbraw/zinc/42/91/88/351429188.db2.gz JZVMQAJHQGTWPA-SNVBAGLBSA-N 1 0 178.279 2.179 50 0 AEAARO CC(C)([NH3+])c1ccc(F)c(F)c1F 33487296 351430444 /nfs/dbraw/zinc/43/04/44/351430444.db2.gz WKVWKPOZKQVTQE-UHFFFAOYSA-N 1 0 189.180 2.298 50 0 AEAARO C[C@@H]1CCC[C@H]2CCC[NH2+][C@@H]21 33801889 351432404 /nfs/dbraw/zinc/43/24/04/351432404.db2.gz UUNKAGONMZHCIP-KXUCPTDWSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H]2CCC[NH2+][C@H]12 33801891 351432526 /nfs/dbraw/zinc/43/25/26/351432526.db2.gz UUNKAGONMZHCIP-OPRDCNLKSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 34113767 351434992 /nfs/dbraw/zinc/43/49/92/351434992.db2.gz HFEXFNQMPMZRKF-PWSUYJOCSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 34113769 351435007 /nfs/dbraw/zinc/43/50/07/351435007.db2.gz HFEXFNQMPMZRKF-ZYHUDNBSSA-N 1 0 175.275 2.400 50 0 AEAARO c1ccc(Nc2[nH]cc[nH+]2)cc1 34160005 351436022 /nfs/dbraw/zinc/43/60/22/351436022.db2.gz YCAXQAUEKMQYQH-UHFFFAOYSA-N 1 0 159.192 2.153 50 0 in-vitro AEAARO c1ccc2c3c(oc2c1)C[NH2+]CC3 34189065 351436564 /nfs/dbraw/zinc/43/65/64/351436564.db2.gz LDUZILRBWUAJLE-UHFFFAOYSA-N 1 0 173.215 2.079 50 0 AEAARO c1ccc2c3c(ccc2c1)C[NH2+]CC3 34213042 351436757 /nfs/dbraw/zinc/43/67/57/351436757.db2.gz RJAQRZMCFUMCIL-UHFFFAOYSA-N 1 0 183.254 2.486 50 0 AEAARO C[C@@H]1CCc2ccccc2[C@H]1[NH3+] 34277066 351437628 /nfs/dbraw/zinc/43/76/28/351437628.db2.gz UOTBRMOSRTZZGB-KCJUWKMLSA-N 1 0 161.248 2.269 50 0 in-vitro AEAARO C[C@@H]1[NH2+][C@@H](C)c2ccccc21 34305147 351437694 /nfs/dbraw/zinc/43/76/94/351437694.db2.gz VNGGVSXGSNMCBG-YUMQZZPRSA-N 1 0 147.221 2.412 50 0 in-vitro AEAARO C[C@@H]1CCc2ccccc2[C@@H]1[NH3+] 34277064 351438085 /nfs/dbraw/zinc/43/80/85/351438085.db2.gz UOTBRMOSRTZZGB-LDYMZIIASA-N 1 0 161.248 2.269 50 0 in-vitro AEAARO c1ccc(C[NH2+]C2CCC2)cc1 34539880 351442539 /nfs/dbraw/zinc/44/25/39/351442539.db2.gz KCAPTTPXCZRLTD-UHFFFAOYSA-N 1 0 161.248 2.329 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CCc2cc(F)ccc21 34604246 351444843 /nfs/dbraw/zinc/44/48/43/351444843.db2.gz KTNPPQVJTQBKFY-ZETCQYMHSA-N 1 0 165.211 2.032 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 34781441 351445579 /nfs/dbraw/zinc/44/55/79/351445579.db2.gz WPBVRISDNZUAEU-OPRDCNLKSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 34781438 351445654 /nfs/dbraw/zinc/44/56/54/351445654.db2.gz WPBVRISDNZUAEU-BBBLOLIVSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO c1ccc2c(c1)CC[C@H]([NH2+]C1CC1)C2 34995051 351446570 /nfs/dbraw/zinc/44/65/70/351446570.db2.gz VNXPIFUMOYCSSC-ZDUSSCGKSA-N 1 0 187.286 2.296 50 0 AEAARO c1ccc2c(c1)CC[C@@H]([NH2+]C1CC1)C2 34995052 351446903 /nfs/dbraw/zinc/44/69/03/351446903.db2.gz VNXPIFUMOYCSSC-CYBMUJFWSA-N 1 0 187.286 2.296 50 0 AEAARO c1ccc2c3c([nH]c2c1)CCC[NH2+]C3 35618672 351452200 /nfs/dbraw/zinc/45/22/00/351452200.db2.gz RMXBKBFEKGCARG-UHFFFAOYSA-N 1 0 186.258 2.204 50 0 in-vitro AEAARO C[C@@H]1[NH2+][C@H](C)CO[C@@H]1c1ccccc1 36673538 351458876 /nfs/dbraw/zinc/45/88/76/351458876.db2.gz YKCSYIYQRSVLAK-SCVCMEIPSA-N 1 0 191.274 2.125 50 0 in-vitro AEAARO C[C@@H]1[NH2+][C@H](C)CO[C@H]1c1ccccc1 36673540 351458937 /nfs/dbraw/zinc/45/89/37/351458937.db2.gz YKCSYIYQRSVLAK-JFGNBEQYSA-N 1 0 191.274 2.125 50 0 in-vitro AEAARO CCOc1ccc(C2([NH3+])CCC2)cc1 36906461 351460137 /nfs/dbraw/zinc/46/01/37/351460137.db2.gz RDRYLPTTWVMTSF-UHFFFAOYSA-N 1 0 191.274 2.423 50 0 AEAARO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccccc1 36998892 351462807 /nfs/dbraw/zinc/46/28/07/351462807.db2.gz BXYWWPNLOCZWIV-DVVUODLYSA-N 1 0 161.248 2.342 50 0 in-vitro AEAARO C[C@@H]1CCCC[N@@H+]1C1(CN)CCCC1 37008913 351462855 /nfs/dbraw/zinc/46/28/55/351462855.db2.gz ZVSMNJRHMJYPIX-LLVKDONJSA-N 1 0 196.338 2.132 50 0 in-vitro AEAARO C[C@@H]1CCC[C@H]([NH+]2CCC(=O)CC2)C1 37255771 351465581 /nfs/dbraw/zinc/46/55/81/351465581.db2.gz JYZDQHHPRSMCHZ-MNOVXSKESA-N 1 0 195.306 2.230 50 0 in-vitro AEAARO C[C@@H]1CCC[C@@H]([NH+]2CCC(=O)CC2)C1 37255775 351465788 /nfs/dbraw/zinc/46/57/88/351465788.db2.gz JYZDQHHPRSMCHZ-GHMZBOCLSA-N 1 0 195.306 2.230 50 0 in-vitro AEAARO C[C@@]([NH3+])(Cc1ccccc1)C1CC1 37380492 351466624 /nfs/dbraw/zinc/46/66/24/351466624.db2.gz FLLISMAOJRFEJL-GFCCVEGCSA-N 1 0 175.275 2.357 50 0 AEAARO CC(C)([NH3+])CCc1ccccc1 37463913 351467971 /nfs/dbraw/zinc/46/79/71/351467971.db2.gz PRJWYFPDHWJLEV-UHFFFAOYSA-N 1 0 163.264 2.357 50 0 in-vitro AEAARO CC(C)C[C@@H]([NH3+])C(C)(C)C 37467015 351468984 /nfs/dbraw/zinc/46/89/84/351468984.db2.gz IBHYHGVDWZMMOH-MRVPVSSYSA-N 1 0 143.274 2.406 50 0 in-vitro AEAARO CC(C)C[C@H]([NH3+])C(C)(C)C 37467012 351469042 /nfs/dbraw/zinc/46/90/42/351469042.db2.gz IBHYHGVDWZMMOH-QMMMGPOBSA-N 1 0 143.274 2.406 50 0 in-vitro AEAARO CC(C)C[C@H]([NH3+])c1ccccn1 37466281 351469156 /nfs/dbraw/zinc/46/91/56/351469156.db2.gz CQQSJHCEEUYAOK-VIFPVBQESA-N 1 0 164.252 2.128 50 0 in-vitro AEAARO O[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 37490594 351469685 /nfs/dbraw/zinc/46/96/85/351469685.db2.gz TYGHMBIHLZRATP-NEPJUHHUSA-N 1 0 197.322 2.212 50 0 AEAARO O[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 37490597 351469939 /nfs/dbraw/zinc/46/99/39/351469939.db2.gz TYGHMBIHLZRATP-NWDGAFQWSA-N 1 0 197.322 2.212 50 0 AEAARO O[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 37490596 351469942 /nfs/dbraw/zinc/46/99/42/351469942.db2.gz TYGHMBIHLZRATP-VXGBXAGGSA-N 1 0 197.322 2.212 50 0 AEAARO O[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 37490595 351470100 /nfs/dbraw/zinc/47/01/00/351470100.db2.gz TYGHMBIHLZRATP-RYUDHWBXSA-N 1 0 197.322 2.212 50 0 AEAARO CC(C)[N@H+](C)C[C@@H](O)c1ccccc1 37693730 351471730 /nfs/dbraw/zinc/47/17/30/351471730.db2.gz RLCGGBORWFVIJF-GFCCVEGCSA-N 1 0 193.290 2.060 50 0 AEAARO CC(C)[N@H+](C)C[C@H](O)c1ccccc1 37693729 351472120 /nfs/dbraw/zinc/47/21/20/351472120.db2.gz RLCGGBORWFVIJF-LBPRGKRZSA-N 1 0 193.290 2.060 50 0 AEAARO CC(C)C[C@H](CO)[NH2+]C1CCCCC1 38111383 351478899 /nfs/dbraw/zinc/47/88/99/351478899.db2.gz RULJEWDYVXBWDS-GFCCVEGCSA-N 1 0 199.338 2.316 50 0 AEAARO CC[C@@H](C)[NH2+][C@H](CO)c1ccccc1 38116346 351479498 /nfs/dbraw/zinc/47/94/98/351479498.db2.gz VRNCZIFXNYZBBD-ZYHUDNBSSA-N 1 0 193.290 2.108 50 0 AEAARO CC[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 38116344 351479560 /nfs/dbraw/zinc/47/95/60/351479560.db2.gz VRNCZIFXNYZBBD-PWSUYJOCSA-N 1 0 193.290 2.108 50 0 AEAARO C[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]1 39018731 351484888 /nfs/dbraw/zinc/48/48/88/351484888.db2.gz BUWXMIBPXBQJRP-NEPJUHHUSA-N 1 0 196.338 2.003 50 0 in-vitro AEAARO CC(C)CC(C)(C)C[NH3+] 39168002 351496918 /nfs/dbraw/zinc/49/69/18/351496918.db2.gz AKYZNGLLWXGHMQ-UHFFFAOYSA-N 1 0 129.247 2.017 50 0 in-vitro AEAARO c1ccc(N[C@H]2CCC[NH2+]CC2)cc1 39261697 351500191 /nfs/dbraw/zinc/50/01/91/351500191.db2.gz SWBFERKHHLUJQP-LBPRGKRZSA-N 1 0 190.290 2.241 50 0 AEAARO CC(C)CC1CC[NH2+]CC1 39338621 351501313 /nfs/dbraw/zinc/50/13/13/351501313.db2.gz FUUJPVISQYKVAX-UHFFFAOYSA-N 1 0 141.258 2.032 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CCc2ccc(F)cc21 39366072 351501370 /nfs/dbraw/zinc/50/13/70/351501370.db2.gz BVLWMCKKBJGKBK-ZETCQYMHSA-N 1 0 165.211 2.032 50 0 in-vitro AEAARO c1ccc(C[N@H+]2C[C@H]3C[C@H]3C2)cc1 39408667 351502368 /nfs/dbraw/zinc/50/23/68/351502368.db2.gz OQEHGZOASMRNJW-TXEJJXNPSA-N 1 0 173.259 2.138 50 0 in-vitro AEAARO C[C@@H]1C[C@@H](C(C)(C)C)CC[NH2+]1 39432050 351503267 /nfs/dbraw/zinc/50/32/67/351503267.db2.gz CDJJBDNOINTHLQ-BDAKNGLRSA-N 1 0 155.285 2.421 50 0 AEAARO C[C@@H]1C[C@H](C(C)(C)C)CC[NH2+]1 39432049 351503549 /nfs/dbraw/zinc/50/35/49/351503549.db2.gz CDJJBDNOINTHLQ-RKDXNWHRSA-N 1 0 155.285 2.421 50 0 AEAARO OC1CC[NH+](CC2CCCCC2)CC1 39990610 351504224 /nfs/dbraw/zinc/50/42/24/351504224.db2.gz KOPWAFHLXPKZFJ-UHFFFAOYSA-N 1 0 197.322 2.023 50 0 AEAARO CC(C)([NH3+])c1nc2ccccc2s1 40432162 351506319 /nfs/dbraw/zinc/50/63/19/351506319.db2.gz HPJUFYLPIBFGMA-UHFFFAOYSA-N 1 0 192.287 2.490 50 0 AEAARO O[C@@H]1CCCCC[C@@H]1[NH+]1CCCCC1 40488482 351507609 /nfs/dbraw/zinc/50/76/09/351507609.db2.gz MBQOZOVWEOSXAT-NWDGAFQWSA-N 1 0 197.322 2.166 50 0 AEAARO O[C@H]1CCCCC[C@@H]1[NH+]1CCCCC1 40488483 351508174 /nfs/dbraw/zinc/50/81/74/351508174.db2.gz MBQOZOVWEOSXAT-RYUDHWBXSA-N 1 0 197.322 2.166 50 0 AEAARO C[C@@H]1CCCC[C@H]1CC[NH3+] 40541327 351509053 /nfs/dbraw/zinc/50/90/53/351509053.db2.gz BXKLFCREVJPUJY-BDAKNGLRSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO c1csc([C@@H]2CSCC[NH2+]2)c1 41203269 351517170 /nfs/dbraw/zinc/51/71/70/351517170.db2.gz VLALEQCRKOSSHW-ZETCQYMHSA-N 1 0 185.317 2.126 50 0 in-vitro AEAARO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH3+] 41167928 351517485 /nfs/dbraw/zinc/51/74/85/351517485.db2.gz GPGHAZNTOBSQFP-LDWIPMOCSA-N 1 0 165.211 2.018 50 0 in-vitro AEAARO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH3+] 41167924 351517571 /nfs/dbraw/zinc/51/75/71/351517571.db2.gz GPGHAZNTOBSQFP-LHLIQPBNSA-N 1 0 165.211 2.018 50 0 in-vitro AEAARO CC(C)([NH3+])c1cc(F)cc(F)c1 41168399 351517702 /nfs/dbraw/zinc/51/77/02/351517702.db2.gz OPFPWVYVDSZPFB-UHFFFAOYSA-N 1 0 171.190 2.159 50 0 in-vitro AEAARO CC(C)CCC[C@@H]1CC[NH2+]C1 42784183 351524804 /nfs/dbraw/zinc/52/48/04/351524804.db2.gz TWDWKTIDBBLOGB-SNVBAGLBSA-N 1 0 155.285 2.422 50 0 AEAARO CC(C)CC[C@H]1CCC[NH2+]C1 42784217 351524859 /nfs/dbraw/zinc/52/48/59/351524859.db2.gz YAHGEJCICHJXKP-SNVBAGLBSA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO CC[C@@H](C)C[C@@H]1CC[NH2+]C1 42784155 351524947 /nfs/dbraw/zinc/52/49/47/351524947.db2.gz DYHKMQCTLRRARG-BDAKNGLRSA-N 1 0 141.258 2.032 50 0 AEAARO CC(C)CCC[C@H]1CC[NH2+]C1 42784184 351525025 /nfs/dbraw/zinc/52/50/25/351525025.db2.gz TWDWKTIDBBLOGB-JTQLQIEISA-N 1 0 155.285 2.422 50 0 AEAARO c1ccc(OCC[C@@H]2CC[NH2+]C2)cc1 42784165 351525047 /nfs/dbraw/zinc/52/50/47/351525047.db2.gz OAFWNGXFWQBXQK-NSHDSACASA-N 1 0 191.274 2.065 50 0 AEAARO CC(C)CCOCC[C@H]1CCC[NH2+]C1 42771712 351525097 /nfs/dbraw/zinc/52/50/97/351525097.db2.gz FURAEKKJNVYFPH-GFCCVEGCSA-N 1 0 199.338 2.439 50 0 AEAARO c1ccc2c(OC3C[NH2+]C3)cccc2c1 42770029 351525262 /nfs/dbraw/zinc/52/52/62/351525262.db2.gz FDAXLMTUXIJIFR-UHFFFAOYSA-N 1 0 199.253 2.190 50 0 AEAARO CC(C)CC[C@@H]1CCC[NH2+]C1 42784216 351525272 /nfs/dbraw/zinc/52/52/72/351525272.db2.gz YAHGEJCICHJXKP-JTQLQIEISA-N 1 0 155.285 2.422 50 0 in-vitro AEAARO c1ccc2cc(OC3C[NH2+]C3)ccc2c1 42770037 351525303 /nfs/dbraw/zinc/52/53/03/351525303.db2.gz ZQXUEIDHHHQAEN-UHFFFAOYSA-N 1 0 199.253 2.190 50 0 AEAARO CC(C)CC[C@@H]1CC[NH2+]C1 42784173 351525395 /nfs/dbraw/zinc/52/53/95/351525395.db2.gz MJDVTFNHQHFKTM-SECBINFHSA-N 1 0 141.258 2.032 50 0 AEAARO CC[C@@H](C)C[C@H]1CCC[NH2+]C1 42784213 351525526 /nfs/dbraw/zinc/52/55/26/351525526.db2.gz RXLJWPBJOMNYEM-NXEZZACHSA-N 1 0 155.285 2.422 50 0 AEAARO CC(C)CC[C@H]1CC[NH2+]C1 42784174 351525580 /nfs/dbraw/zinc/52/55/80/351525580.db2.gz MJDVTFNHQHFKTM-VIFPVBQESA-N 1 0 141.258 2.032 50 0 AEAARO CC(C)CSC[C@H]1CCC[NH2+]1 43497295 351528522 /nfs/dbraw/zinc/52/85/22/351528522.db2.gz CFZLXYASMMWYHL-SECBINFHSA-N 1 0 173.325 2.128 50 0 AEAARO CC(C)CSC[C@@H]1CCC[NH2+]1 43497292 351528815 /nfs/dbraw/zinc/52/88/15/351528815.db2.gz CFZLXYASMMWYHL-VIFPVBQESA-N 1 0 173.325 2.128 50 0 AEAARO CC(C)SC[C@H]1CCC[NH2+]C1 43471787 351528842 /nfs/dbraw/zinc/52/88/42/351528842.db2.gz OIWVHBCHTFAYKL-VIFPVBQESA-N 1 0 173.325 2.128 50 0 AEAARO CC(C)CSC1CC[NH2+]CC1 43501269 351529670 /nfs/dbraw/zinc/52/96/70/351529670.db2.gz LNUATSKNVFBPKR-UHFFFAOYSA-N 1 0 173.325 2.128 50 0 AEAARO CCSCC[C@H]1CCCC[NH2+]1 43499490 351529758 /nfs/dbraw/zinc/52/97/58/351529758.db2.gz PHNVZWGWEHQJQZ-SECBINFHSA-N 1 0 173.325 2.272 50 0 AEAARO CC(C)SCC1CC[NH2+]CC1 43498238 351529817 /nfs/dbraw/zinc/52/98/17/351529817.db2.gz HLBDMYKHMQQBRQ-UHFFFAOYSA-N 1 0 173.325 2.128 50 0 AEAARO CCSCC[C@@H]1CCCC[NH2+]1 43499488 351529918 /nfs/dbraw/zinc/52/99/18/351529918.db2.gz PHNVZWGWEHQJQZ-VIFPVBQESA-N 1 0 173.325 2.272 50 0 AEAARO c1coc(CSC2CC[NH2+]CC2)c1 43501270 351530017 /nfs/dbraw/zinc/53/00/17/351530017.db2.gz WJPGEJUBVSWBGV-UHFFFAOYSA-N 1 0 197.303 2.265 50 0 AEAARO C[C@@H]1CCC[C@@H](CC[NH3+])C1 43559364 351531857 /nfs/dbraw/zinc/53/18/57/351531857.db2.gz BFZWLRTYKGGBFP-BDAKNGLRSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO C[C@@H]1CCC[C@H](CC[NH3+])C1 43559362 351532438 /nfs/dbraw/zinc/53/24/38/351532438.db2.gz BFZWLRTYKGGBFP-RKDXNWHRSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO CCOc1cc(N)[nH+]c2ccccc12 44123501 351535312 /nfs/dbraw/zinc/53/53/12/351535312.db2.gz RBQHMBIMGVNKGU-UHFFFAOYSA-N 1 0 188.230 2.216 50 0 AEAARO C[C@@H]1C[NH+]=C(CCc2cccs2)N1 44123333 351535666 /nfs/dbraw/zinc/53/56/66/351535666.db2.gz WRNFSLYDOSOVQY-MRVPVSSYSA-N 1 0 194.303 2.071 50 0 AEAARO c1ccc2c(c1)C[NH2+]CC21CCC1 44138818 351536493 /nfs/dbraw/zinc/53/64/93/351536493.db2.gz SGMNNJVCACUQMU-UHFFFAOYSA-N 1 0 173.259 2.212 50 0 in-vitro AEAARO c1ccc(OCC[NH2+]C2CCC2)cc1 44481967 351538218 /nfs/dbraw/zinc/53/82/18/351538218.db2.gz SZLNMXJCBIGGNE-UHFFFAOYSA-N 1 0 191.274 2.208 50 0 AEAARO C[C@@H]1CCC[C@@H]([C@@H](C)[NH3+])C1 44980772 351541072 /nfs/dbraw/zinc/54/10/72/351541072.db2.gz DJOVWJMYDZPCSB-IWSPIJDZSA-N 1 0 141.258 2.160 50 0 AEAARO c1ccc([C@H]2CCCCC[NH2+]2)nc1 51267661 351556817 /nfs/dbraw/zinc/55/68/17/351556817.db2.gz UHHGQPLKNWNWOW-SNVBAGLBSA-N 1 0 176.263 2.286 50 0 in-vitro AEAARO c1ccc(CS[C@@H]2CC[NH2+]C2)cc1 51783938 351559198 /nfs/dbraw/zinc/55/91/98/351559198.db2.gz JDWVEMOZJDTHCU-LLVKDONJSA-N 1 0 193.315 2.282 50 0 AEAARO C[C@@H]1[NH2+]CC[C@@H]1c1ccccc1 51953893 351560973 /nfs/dbraw/zinc/56/09/73/351560973.db2.gz JZLQMGWQLRCDIE-ONGXEEELSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CC[C@H]1c1ccc(F)c(F)c1 51953947 351561000 /nfs/dbraw/zinc/56/10/00/351561000.db2.gz OTMSVRWOJMNAQZ-IONNQARKSA-N 1 0 197.228 2.430 50 0 AEAARO C[C@@H]1[NH2+]CC[C@H]1Cc1ccccc1 51957211 351561561 /nfs/dbraw/zinc/56/15/61/351561561.db2.gz POPKDHUVIWNVDS-JQWIXIFHSA-N 1 0 175.275 2.227 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CC[C@@H]1Cc1ccccc1 51957215 351561344 /nfs/dbraw/zinc/56/13/44/351561344.db2.gz POPKDHUVIWNVDS-CMPLNLGQSA-N 1 0 175.275 2.227 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CC[C@H]1c1ccccc1 51953890 351561356 /nfs/dbraw/zinc/56/13/56/351561356.db2.gz JZLQMGWQLRCDIE-GXSJLCMTSA-N 1 0 161.248 2.152 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 51953951 351561539 /nfs/dbraw/zinc/56/15/39/351561539.db2.gz OTMSVRWOJMNAQZ-CBAPKCEASA-N 1 0 197.228 2.430 50 0 AEAARO c1ccc(SC[C@@H]2CC[NH2+]C2)cc1 51890811 351561595 /nfs/dbraw/zinc/56/15/95/351561595.db2.gz AYLPIJTVKMODTL-SNVBAGLBSA-N 1 0 193.315 2.388 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CCc2c(F)cc(F)cc21 52095394 351562432 /nfs/dbraw/zinc/56/24/32/351562432.db2.gz YKETUYYYFULJKA-LURJTMIESA-N 1 0 183.201 2.172 50 0 in-vitro AEAARO c1ccc([C@H]2[NH2+]CCS2)cc1 52537770 351567667 /nfs/dbraw/zinc/56/76/67/351567667.db2.gz NXOMVTLTYYYYPC-VIFPVBQESA-N 1 0 165.261 2.022 50 0 in-vitro AEAARO c1ccc([C@@H]2[NH2+]CCn3cccc32)cc1 54957066 351576199 /nfs/dbraw/zinc/57/61/99/351576199.db2.gz OJWIBJCTTSRXTB-ZDUSSCGKSA-N 1 0 198.269 2.181 50 0 in-vitro AEAARO c1ccc([C@H]2[NH2+]CCn3cccc32)cc1 54957065 351576397 /nfs/dbraw/zinc/57/63/97/351576397.db2.gz OJWIBJCTTSRXTB-CYBMUJFWSA-N 1 0 198.269 2.181 50 0 in-vitro AEAARO CC(C)([NH3+])c1ccc(F)cc1F 55238442 351577163 /nfs/dbraw/zinc/57/71/63/351577163.db2.gz YCSMHINNGHMSKR-UHFFFAOYSA-N 1 0 171.190 2.159 50 0 AEAARO CCC[NH2+][C@@H]1CCc2ncsc2C1 60206457 351582773 /nfs/dbraw/zinc/58/27/73/351582773.db2.gz NHAJAABVIJADQA-MRVPVSSYSA-N 1 0 196.319 2.000 50 0 AEAARO CCC[NH2+][C@H]1CCc2ncsc2C1 60206461 351582883 /nfs/dbraw/zinc/58/28/83/351582883.db2.gz NHAJAABVIJADQA-QMMMGPOBSA-N 1 0 196.319 2.000 50 0 AEAARO CC(C)(c1ccccc1)C1([NH3+])CC1 62773778 351590071 /nfs/dbraw/zinc/59/00/71/351590071.db2.gz LTPJRVNULAAQBS-UHFFFAOYSA-N 1 0 175.275 2.456 50 0 AEAARO CCOc1cc(Cl)ccc1C[NH3+] 62787104 351590124 /nfs/dbraw/zinc/59/01/24/351590124.db2.gz GAPHYYJDKXWROI-UHFFFAOYSA-N 1 0 185.654 2.197 50 0 in-vitro AEAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[NH2+]1 68576305 351593909 /nfs/dbraw/zinc/59/39/09/351593909.db2.gz NEEWUTFVPCPKGE-PSASIEDQSA-N 1 0 179.238 2.291 50 0 AEAARO C[C@@H]1C[C@H](c2ccc(F)cc2)C[NH2+]1 68576299 351594068 /nfs/dbraw/zinc/59/40/68/351594068.db2.gz NEEWUTFVPCPKGE-SCZZXKLOSA-N 1 0 179.238 2.291 50 0 AEAARO C[C@@H]1SCC[NH2+][C@H]1c1ccccc1 68575710 351594104 /nfs/dbraw/zinc/59/41/04/351594104.db2.gz YLKRSWDSQCVVGY-GXSJLCMTSA-N 1 0 193.315 2.453 50 0 in-vitro AEAARO C[C@@H]1SCC[NH2+][C@@H]1c1ccccc1 68575714 351594185 /nfs/dbraw/zinc/59/41/85/351594185.db2.gz YLKRSWDSQCVVGY-ONGXEEELSA-N 1 0 193.315 2.453 50 0 in-vitro AEAARO C[C@@H]1[NH2+]CCc2cccc(F)c21 68576915 351595664 /nfs/dbraw/zinc/59/56/64/351595664.db2.gz ONTFHMXIFNPJDF-ZETCQYMHSA-N 1 0 165.211 2.032 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@H](c2ccco2)C1 69940534 351600699 /nfs/dbraw/zinc/60/06/99/351600699.db2.gz CIBCBUOWFZOYNS-BDAKNGLRSA-N 1 0 165.236 2.340 50 0 in-vitro AEAARO C[C@@H]1CC[NH2+][C@@H](c2ccco2)C1 69940536 351600760 /nfs/dbraw/zinc/60/07/60/351600760.db2.gz CIBCBUOWFZOYNS-RKDXNWHRSA-N 1 0 165.236 2.340 50 0 in-vitro AEAARO C[C@@H]1C[C@H](c2ccsc2)C[NH2+]1 70586650 351603849 /nfs/dbraw/zinc/60/38/49/351603849.db2.gz LOHWQGFZYGZIOQ-APPZFPTMSA-N 1 0 167.277 2.214 50 0 in-vitro AEAARO C[C@@H](c1ccccc1)[C@@H]1CC[NH2+]C1 70627862 351604598 /nfs/dbraw/zinc/60/45/98/351604598.db2.gz CVYCUUMRCKHGLO-CMPLNLGQSA-N 1 0 175.275 2.400 50 0 AEAARO C[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 70627864 351604961 /nfs/dbraw/zinc/60/49/61/351604961.db2.gz CVYCUUMRCKHGLO-JQWIXIFHSA-N 1 0 175.275 2.400 50 0 AEAARO CCO[C@@H]1C[C@@H]([NH2+]C)C12CCCCC2 71372497 351610364 /nfs/dbraw/zinc/61/03/64/351610364.db2.gz NXIYSFLIKCOGGU-GHMZBOCLSA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO CCO[C@@H]1C[C@H]([NH3+])C12CCCCC2 71373239 351610454 /nfs/dbraw/zinc/61/04/54/351610454.db2.gz OGVVHXLZVGXJML-VHSXEESVSA-N 1 0 183.295 2.073 50 0 in-vitro AEAARO CCO[C@H]1C[C@@H]([NH3+])C12CCCCC2 71373244 351610815 /nfs/dbraw/zinc/61/08/15/351610815.db2.gz OGVVHXLZVGXJML-ZJUUUORDSA-N 1 0 183.295 2.073 50 0 in-vitro AEAARO CCO[C@H]1C[C@@H]([NH2+]C)C12CCCCC2 71372498 351610937 /nfs/dbraw/zinc/61/09/37/351610937.db2.gz NXIYSFLIKCOGGU-MNOVXSKESA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO CCO[C@@H]1C[C@H]([NH2+]C)C12CCCCC2 71372495 351610952 /nfs/dbraw/zinc/61/09/52/351610952.db2.gz NXIYSFLIKCOGGU-WDEREUQCSA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO CCO[C@H]1C[C@H]([NH2+]C)C12CCCCC2 71372496 351610979 /nfs/dbraw/zinc/61/09/79/351610979.db2.gz NXIYSFLIKCOGGU-QWRGUYRKSA-N 1 0 197.322 2.334 50 0 in-vitro AEAARO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH3+] 71489230 351611502 /nfs/dbraw/zinc/61/15/02/351611502.db2.gz YELZVMJJCGQUGO-HQJQHLMTSA-N 1 0 179.238 2.408 50 0 in-vitro AEAARO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH3+] 71489226 351611872 /nfs/dbraw/zinc/61/18/72/351611872.db2.gz YELZVMJJCGQUGO-RDDDGLTNSA-N 1 0 179.238 2.408 50 0 in-vitro AEAARO CC(C)(O)c1ccc(C[NH3+])c(Cl)c1 72233300 351617560 /nfs/dbraw/zinc/61/75/60/351617560.db2.gz CZJYWWCSHWRFME-UHFFFAOYSA-N 1 0 199.681 2.026 50 0 AEAARO C[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 72309481 351618246 /nfs/dbraw/zinc/61/82/46/351618246.db2.gz UGNHWQCRWIYFFU-HTQZYQBOSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CCO[C@H]1C[C@H]([NH2+]C)C1(CC)CC 72302616 351618539 /nfs/dbraw/zinc/61/85/39/351618539.db2.gz OBFBZFQVRPRNHC-UWVGGRQHSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCS[C@@H]1CCCC[C@@H]1[NH3+] 72291161 351618589 /nfs/dbraw/zinc/61/85/89/351618589.db2.gz VCJOVLJFAWUNMO-JGVFFNPUSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 72309479 351618655 /nfs/dbraw/zinc/61/86/55/351618655.db2.gz UGNHWQCRWIYFFU-SFYZADRCSA-N 1 0 141.258 2.160 50 0 in-vitro AEAARO CCS[C@@H]1CCCC[C@H]1[NH3+] 72291163 351618671 /nfs/dbraw/zinc/61/86/71/351618671.db2.gz VCJOVLJFAWUNMO-HTQZYQBOSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CCO[C@@H]1C[C@H]([NH2+]C)C1(CC)CC 72302618 351618709 /nfs/dbraw/zinc/61/87/09/351618709.db2.gz OBFBZFQVRPRNHC-VHSXEESVSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO CCS[C@H]1CCCC[C@@H]1[NH3+] 72291162 351618738 /nfs/dbraw/zinc/61/87/38/351618738.db2.gz VCJOVLJFAWUNMO-YUMQZZPRSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CCS[C@H]1CCC[C@@H]([NH3+])C1 72292133 351618748 /nfs/dbraw/zinc/61/87/48/351618748.db2.gz VOKGEDJHMODUIZ-SFYZADRCSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CCS[C@H]1CCC[C@H]([NH3+])C1 72292131 351618770 /nfs/dbraw/zinc/61/87/70/351618770.db2.gz VOKGEDJHMODUIZ-YUMQZZPRSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CCS[C@@H]1CCC[C@@H]([NH3+])C1 72292132 351618779 /nfs/dbraw/zinc/61/87/79/351618779.db2.gz VOKGEDJHMODUIZ-HTQZYQBOSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CCS[C@H]1CCCC[C@H]1[NH3+] 72291164 351618792 /nfs/dbraw/zinc/61/87/92/351618792.db2.gz VCJOVLJFAWUNMO-SFYZADRCSA-N 1 0 159.298 2.009 50 0 in-vitro AEAARO CCO[C@@H]1C[C@@H]([NH2+]C)C1(CC)CC 72302617 351618907 /nfs/dbraw/zinc/61/89/07/351618907.db2.gz OBFBZFQVRPRNHC-NXEZZACHSA-N 1 0 185.311 2.190 50 0 in-vitro AEAARO C[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 76593971 351625054 /nfs/dbraw/zinc/62/50/54/351625054.db2.gz RNWURHRRQATWCP-KOLCDFICSA-N 1 0 161.248 2.010 50 0 in-vitro AEAARO C[C@@H]1C[C@]1(C[NH3+])c1ccc(F)cc1F 76637189 351625375 /nfs/dbraw/zinc/62/53/75/351625375.db2.gz KZDOWKNIVNQAPR-RDDDGLTNSA-N 1 0 197.228 2.201 50 0 AEAARO c1ccc2[nH]c([C@H]3CC[NH2+]C3)cc2c1 78204841 351625886 /nfs/dbraw/zinc/62/58/86/351625886.db2.gz TVUKIIHOCPRYQF-JTQLQIEISA-N 1 0 186.258 2.245 50 0 AEAARO c1ccc2[nH]c([C@@H]3CC[NH2+]C3)cc2c1 78204840 351626626 /nfs/dbraw/zinc/62/66/26/351626626.db2.gz TVUKIIHOCPRYQF-SNVBAGLBSA-N 1 0 186.258 2.245 50 0 AEAARO CC(C)C1CCC(C(N)=[NH2+])CC1 78210774 351627672 /nfs/dbraw/zinc/62/76/72/351627672.db2.gz LNBWJBPMRQAEBV-UHFFFAOYSA-N 1 0 168.284 2.385 50 0 in-vitro AEAARO C[C@@H]1[C@@H]([NH3+])C[C@H]1c1ccccc1 78210747 351627682 /nfs/dbraw/zinc/62/76/82/351627682.db2.gz XQANGUZDPFHVLC-GDPRMGEGSA-N 1 0 161.248 2.137 50 0 AEAARO CCSc1cccc(C[NH3+])c1 78675751 351628260 /nfs/dbraw/zinc/62/82/60/351628260.db2.gz BHSXLOMVDSFFHO-UHFFFAOYSA-N 1 0 167.277 2.257 50 0 in-vitro AEAARO CC1(C)CCCC[C@H]1C[NH3+] 78724911 351628677 /nfs/dbraw/zinc/62/86/77/351628677.db2.gz YMFOFTIBSUHGNX-QMMMGPOBSA-N 1 0 141.258 2.162 50 0 AEAARO C[C@@H]1CC(C[NH3+])C[C@@H](C)C1 78724756 351628846 /nfs/dbraw/zinc/62/88/46/351628846.db2.gz RDLFPXZUZARLIS-YUMQZZPRSA-N 1 0 141.258 2.017 50 0 AEAARO [NH3+]C1(c2ccc(F)cc2F)CCC1 80961634 351632206 /nfs/dbraw/zinc/63/22/06/351632206.db2.gz LHOZEQMKAXACTN-UHFFFAOYSA-N 1 0 183.201 2.303 50 0 AEAARO CCOc1ccc([C@H]2C[C@@H]2[NH3+])cc1F 82530918 351639558 /nfs/dbraw/zinc/63/95/58/351639558.db2.gz IMDPOLWCVTWFBR-SCZZXKLOSA-N 1 0 195.237 2.039 50 0 AEAARO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[NH2+]1 82785489 351641179 /nfs/dbraw/zinc/64/11/79/351641179.db2.gz RFUYINIEGOHIAM-HTQZYQBOSA-N 1 0 179.238 2.421 50 0 AEAARO C[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 82868724 351642523 /nfs/dbraw/zinc/64/25/23/351642523.db2.gz LWWZHBFSFLPGPG-CMPLNLGQSA-N 1 0 175.275 2.400 50 0 AEAARO [NH3+]C1CC2(CCCCC2)C1 83171497 351643542 /nfs/dbraw/zinc/64/35/42/351643542.db2.gz DRQKGOCDHAIHQV-UHFFFAOYSA-N 1 0 139.242 2.058 50 0 AEAARO C[C@@H]1CSc2ccccc2C[NH2+]1 95883812 351674777 /nfs/dbraw/zinc/67/47/77/351674777.db2.gz VMPYLWXHYKKRNX-MRVPVSSYSA-N 1 0 179.288 2.270 50 0 in-vitro AEAARO [NH3+]Cc1cn(C(F)F)c2ccccc12 84848289 351651934 /nfs/dbraw/zinc/65/19/34/351651934.db2.gz SQIIBMUNLKVFGS-UHFFFAOYSA-N 1 0 196.200 2.495 50 0 AEAARO CCc1[nH]c(N)[nH+]c1-c1ccccc1 85279339 351653106 /nfs/dbraw/zinc/65/31/06/351653106.db2.gz ZTELEOJSIABHFF-UHFFFAOYSA-N 1 0 187.246 2.221 50 0 AEAARO CC1(C)CCC[C@@H]1CC[NH3+] 86868267 351657102 /nfs/dbraw/zinc/65/71/02/351657102.db2.gz SRTVFINDKQULLM-MRVPVSSYSA-N 1 0 141.258 2.162 50 0 in-vitro AEAARO [NH3+][C@@H](C(F)F)C1CCCCC1 87687368 351660458 /nfs/dbraw/zinc/66/04/58/351660458.db2.gz XRIRCGSSMZLASD-SSDOTTSWSA-N 1 0 163.211 2.159 50 0 AEAARO [NH3+][C@H](C(F)F)C1CCCCC1 87687367 351660822 /nfs/dbraw/zinc/66/08/22/351660822.db2.gz XRIRCGSSMZLASD-ZETCQYMHSA-N 1 0 163.211 2.159 50 0 AEAARO CC(C)(O)C(C)(C)[NH2+]CC1CCCC1 95459770 351670080 /nfs/dbraw/zinc/67/00/80/351670080.db2.gz WBEKROZRSGIALW-UHFFFAOYSA-N 1 0 199.338 2.316 50 0 AEAARO C#[N+]c1ccc(C(=O)OC)cc1 95697939 351671738 /nfs/dbraw/zinc/67/17/38/351671738.db2.gz CFMGUIWIJXYCCS-UHFFFAOYSA-N 1 0 161.160 2.024 50 0 AEAARO C#[N+]c1cccc(F)c1 95698082 351671862 /nfs/dbraw/zinc/67/18/62/351671862.db2.gz GQKWLGUUHHQIQJ-UHFFFAOYSA-N 1 0 121.114 2.376 50 0 in-vitro AEAARO C#[N+]c1cccc(C(=O)OC)c1 95697940 351671956 /nfs/dbraw/zinc/67/19/56/351671956.db2.gz LWXRYLFWHIMKNP-UHFFFAOYSA-N 1 0 161.160 2.024 50 0 AEAARO C#[N+]c1ccccc1OC 95697956 351672062 /nfs/dbraw/zinc/67/20/62/351672062.db2.gz CKDZYTQQIUFJFI-UHFFFAOYSA-N 1 0 133.150 2.246 50 0 in-vitro AEAARO C#[N+]c1ccc2c(c1)OCCO2 95713359 351673028 /nfs/dbraw/zinc/67/30/28/351673028.db2.gz AAUQOWLQNFIDQL-UHFFFAOYSA-N 1 0 161.160 2.009 50 0 in-vitro AEAARO CCSCC[N@H+](C)[C@H](C)C1CC1 95960400 351677520 /nfs/dbraw/zinc/67/75/20/351677520.db2.gz CBBQEAIEDSJTHR-SECBINFHSA-N 1 0 187.352 2.470 50 0 AEAARO CCSCC[N@H+](C)[C@@H](C)C1CC1 95960399 351677657 /nfs/dbraw/zinc/67/76/57/351677657.db2.gz CBBQEAIEDSJTHR-VIFPVBQESA-N 1 0 187.352 2.470 50 0 AEAARO CC(F)(F)c1ccccc1C[NH3+] 96024898 351678228 /nfs/dbraw/zinc/67/82/28/351678228.db2.gz NRWYQKMFOPAOQA-UHFFFAOYSA-N 1 0 171.190 2.257 50 0 AEAARO C#[N+]c1csc(Br)n1 97950167 351684707 /nfs/dbraw/zinc/68/47/07/351684707.db2.gz GZFIGVRVBCMTKP-UHFFFAOYSA-N 1 0 189.037 2.456 50 0 AEAARO CC(C)=C[NH+]1CCCCC1 100940670 351702217 /nfs/dbraw/zinc/70/22/17/351702217.db2.gz ZQZUJFQBFGFJMM-UHFFFAOYSA-N 1 0 139.242 2.396 50 0 AEAARO CCC(=C[NH+]1CCOCC1)CC 100972288 351702489 /nfs/dbraw/zinc/70/24/89/351702489.db2.gz XAAWNHUYVLXFRW-UHFFFAOYSA-N 1 0 169.268 2.023 50 0 AEAARO C[C@@H]1Oc2ccccc2[NH+]=C1N(C)C 102194934 351706251 /nfs/dbraw/zinc/70/62/51/351706251.db2.gz VKJLBIBWTGZJGZ-QMMMGPOBSA-N 1 0 190.246 2.059 50 0 AEAARO CC(C)=C[NH2+]CC(C)C 104621164 351714796 /nfs/dbraw/zinc/71/47/96/351714796.db2.gz UFNMLWJTTODWFG-UHFFFAOYSA-N 1 0 127.231 2.156 50 0 AEAARO C[C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 105342157 351716388 /nfs/dbraw/zinc/71/63/88/351716388.db2.gz ROZZTFNAIYMQEK-UTLUCORTSA-N 1 0 153.269 2.175 50 0 in-vitro AEAARO [NH3+][C@H](CF)c1ccc(Cl)cc1 107124686 351717876 /nfs/dbraw/zinc/71/78/76/351717876.db2.gz ZAGNGPPMPCQXBW-MRVPVSSYSA-N 1 0 173.618 2.309 50 0 AEAARO F[C@@]1(c2ccccc2)CCC[NH2+]C1 107126981 351718116 /nfs/dbraw/zinc/71/81/16/351718116.db2.gz SYJZOHYZJAZLGQ-NSHDSACASA-N 1 0 179.238 2.235 50 0 AEAARO [NH3+][C@@H](CF)c1ccc(Cl)cc1 107124689 351718261 /nfs/dbraw/zinc/71/82/61/351718261.db2.gz ZAGNGPPMPCQXBW-QMMMGPOBSA-N 1 0 173.618 2.309 50 0 AEAARO F[C@]1(c2ccccc2)CCC[NH2+]C1 107126984 351718274 /nfs/dbraw/zinc/71/82/74/351718274.db2.gz SYJZOHYZJAZLGQ-LLVKDONJSA-N 1 0 179.238 2.235 50 0 AEAARO COc1ccc2ccc(C[NH3+])cc2c1 108371401 351721892 /nfs/dbraw/zinc/72/18/92/351721892.db2.gz WKPRJBXQNSEOAV-UHFFFAOYSA-N 1 0 187.242 2.307 50 0 AEAARO C[C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 166603982 351767025 /nfs/dbraw/zinc/76/70/25/351767025.db2.gz ROZZTFNAIYMQEK-KXUCPTDWSA-N 1 0 153.269 2.175 50 0 AEAARO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[NH2+]1 169616643 351769973 /nfs/dbraw/zinc/76/99/73/351769973.db2.gz YKCSYIYQRSVLAK-FOGDFJRCSA-N 1 0 191.274 2.125 50 0 AEAARO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[NH2+]1 169616641 351770100 /nfs/dbraw/zinc/77/01/00/351770100.db2.gz YKCSYIYQRSVLAK-CKYFFXLPSA-N 1 0 191.274 2.125 50 0 AEAARO C[C@@H]1[C@H]([NH3+])C[C@H]1c1ccccc1 238856906 351826469 /nfs/dbraw/zinc/82/64/69/351826469.db2.gz XQANGUZDPFHVLC-JMJZKYOTSA-N 1 0 161.248 2.137 50 0 AEAARO C[C@@H]1[NH2+][C@H](C)C[C@@H]1CC(F)(F)F 238857074 351826503 /nfs/dbraw/zinc/82/65/03/351826503.db2.gz YAOVUTLHVSFKBC-DSYKOEDSSA-N 1 0 181.201 2.325 50 0 AEAARO C[C@@H]1[NH2+][C@H](C)C[C@H]1CC(F)(F)F 238857078 351826704 /nfs/dbraw/zinc/82/67/04/351826704.db2.gz YAOVUTLHVSFKBC-VQVTYTSYSA-N 1 0 181.201 2.325 50 0 AEAARO C[NH2+]C12CC(c3ccccc3)(C1)C2 253496230 351846000 /nfs/dbraw/zinc/84/60/00/351846000.db2.gz ZVYGDJGYNFUHOB-UHFFFAOYSA-N 1 0 173.259 2.080 50 0 AEAARO CC(C)(C)c1coc([C@H]2CCC[NH2+]2)n1 258233287 351861253 /nfs/dbraw/zinc/86/12/53/351861253.db2.gz ZQVXKSLCFZMMNO-MRVPVSSYSA-N 1 0 194.278 2.397 50 0 AEAARO Cc1cccc([C@@H]2[NH2+]C[C@@H]2C)c1 259227782 351870754 /nfs/dbraw/zinc/87/07/54/351870754.db2.gz OONRUXKGIJCBIY-GXSJLCMTSA-N 1 0 161.248 2.275 50 0 AEAARO Cc1cccc([C@H]2[NH2+]C[C@H]2C)c1 259227787 351870939 /nfs/dbraw/zinc/87/09/39/351870939.db2.gz OONRUXKGIJCBIY-KOLCDFICSA-N 1 0 161.248 2.275 50 0 AEAARO Cc1cccc([C@@H]2[NH2+]C[C@H]2C)c1 259227791 351871360 /nfs/dbraw/zinc/87/13/60/351871360.db2.gz OONRUXKGIJCBIY-MWLCHTKSSA-N 1 0 161.248 2.275 50 0 AEAARO Cc1cccc([C@H]2[NH2+]C[C@@H]2C)c1 259227796 351871400 /nfs/dbraw/zinc/87/14/00/351871400.db2.gz OONRUXKGIJCBIY-ONGXEEELSA-N 1 0 161.248 2.275 50 0 AEAARO CC(C)(C)O[C@H]1C[C@@H]([NH3+])C12CCC2 307044543 351982900 /nfs/dbraw/zinc/98/29/00/351982900.db2.gz OIZUJKHIOHRKCC-BDAKNGLRSA-N 1 0 183.295 2.071 50 0 AEAARO CC(C)(C)O[C@@H]1C[C@H]([NH3+])C12CCC2 307044544 351982977 /nfs/dbraw/zinc/98/29/77/351982977.db2.gz OIZUJKHIOHRKCC-DTWKUNHWSA-N 1 0 183.295 2.071 50 0 AEAARO CC(C)(C)O[C@@H]1C[C@@H]([NH3+])C12CCC2 307047239 351983185 /nfs/dbraw/zinc/98/31/85/351983185.db2.gz OIZUJKHIOHRKCC-RKDXNWHRSA-N 1 0 183.295 2.071 50 0 AEAARO CC(C)(C)O[C@H]1C[C@H]([NH3+])C12CCC2 307047228 351983250 /nfs/dbraw/zinc/98/32/50/351983250.db2.gz OIZUJKHIOHRKCC-IUCAKERBSA-N 1 0 183.295 2.071 50 0 AEAARO CC1CCC2(CC1)CC[C@@H](C[NH3+])O2 307419396 352012254 /nfs/dbraw/zinc/01/22/54/352012254.db2.gz HTTUXSBCBZUHGG-YVNMAJEFSA-N 1 0 183.295 2.073 50 0 AEAARO CC1CCC2(CC1)CC[C@H](C[NH3+])O2 307419395 352012539 /nfs/dbraw/zinc/01/25/39/352012539.db2.gz HTTUXSBCBZUHGG-HSOILSAZSA-N 1 0 183.295 2.073 50 0 AEAARO c1csc([C@@]23CC[C@H]2CC[NH2+]3)c1 334163806 352057697 /nfs/dbraw/zinc/05/76/97/352057697.db2.gz IBLLYMPPCVFDPO-WCBMZHEXSA-N 1 0 179.288 2.347 50 0 AEAARO c1csc([C@]23CC[C@@H]2CC[NH2+]3)c1 334163805 352057813 /nfs/dbraw/zinc/05/78/13/352057813.db2.gz IBLLYMPPCVFDPO-SCZZXKLOSA-N 1 0 179.288 2.347 50 0 AEAARO c1csc([C@@]23CC[C@@H]2CC[NH2+]3)c1 334163804 352057817 /nfs/dbraw/zinc/05/78/17/352057817.db2.gz IBLLYMPPCVFDPO-PSASIEDQSA-N 1 0 179.288 2.347 50 0 AEAARO CCN1c2ccccc2SC1[NH3+] 409415912 352160002 /nfs/dbraw/zinc/16/00/02/352160002.db2.gz GIWPHUGEGZVUMO-UHFFFAOYSA-N 1 0 179.268 2.024 50 0 AEAARO CCC(CC)(C[NH3+])C(F)(F)F 536946912 352188777 /nfs/dbraw/zinc/18/87/77/352188777.db2.gz YORWYADLZTWZHM-UHFFFAOYSA-N 1 0 169.190 2.314 50 0 in-vitro AEAARO CC(C)C[NH+]1CCCCC1 5759250 371619685 /nfs/dbraw/zinc/61/96/85/371619685.db2.gz BNBLWPUWMNURAX-UHFFFAOYSA-N 1 0 141.258 2.128 50 0 AEAARO CC(C)([NH3+])c1cccc(F)c1 19682474 371628850 /nfs/dbraw/zinc/62/88/50/371628850.db2.gz UVDZXNRATDMYMW-UHFFFAOYSA-N 1 0 153.200 2.020 50 0 in-vitro AEAARO c1ccc(S[C@@H]2CC[NH2+]C2)cc1 36142125 371633097 /nfs/dbraw/zinc/63/30/97/371633097.db2.gz IFSIBDBOTGJAFN-SNVBAGLBSA-N 1 0 179.288 2.141 50 0 AEAARO c1ccc(S[C@H]2CC[NH2+]C2)cc1 36142126 371633161 /nfs/dbraw/zinc/63/31/61/371633161.db2.gz IFSIBDBOTGJAFN-JTQLQIEISA-N 1 0 179.288 2.141 50 0 AEAARO C#[N+]c1ccccc1 59304909 371637226 /nfs/dbraw/zinc/63/72/26/371637226.db2.gz RCIBIGQXGCBBCT-UHFFFAOYSA-N 1 0 103.124 2.237 50 0 in-vitro AEAARO CC(C)CNC(=[NH2+])c1ccccc1 59925805 371639959 /nfs/dbraw/zinc/63/99/59/371639959.db2.gz ZLZQKGVIRGEDKL-UHFFFAOYSA-N 1 0 176.263 2.258 50 0 AEAARO CC(C)C[C@@]1(C)CCC[NH2+]1 85697812 371652114 /nfs/dbraw/zinc/65/21/14/371652114.db2.gz FTGFJWBVQUWQHC-SECBINFHSA-N 1 0 141.258 2.175 50 0 in-vitro AEAARO C[C@H]1CCC[C@H](C)C1C[NH3+] 85656934 371652142 /nfs/dbraw/zinc/65/21/42/371652142.db2.gz AGZXAVWILUZMEB-YUMQZZPRSA-N 1 0 141.258 2.017 50 0 AEAARO C[C@@H]1CCC[C@@H](C)C1C[NH3+] 85656935 371652396 /nfs/dbraw/zinc/65/23/96/371652396.db2.gz AGZXAVWILUZMEB-HTQZYQBOSA-N 1 0 141.258 2.017 50 0 AEAARO Cc1ccccc1[C@H]1C[C@H]([NH3+])C1 238855998 371731434 /nfs/dbraw/zinc/73/14/34/371731434.db2.gz UMWSJCKDSQKTCV-MGCOHNPYSA-N 1 0 161.248 2.200 50 0 AEAARO CCCC[C@]1(O)C[C@@H](C)[N@H+](C)C[C@H]1C 244774229 371732584 /nfs/dbraw/zinc/73/25/84/371732584.db2.gz PPZFTLDTFSBLGL-UTUOFQBUSA-N 1 0 199.338 2.268 50 0 AEAARO CCCC[C@]1(O)C[C@H](C)[N@H+](C)C[C@H]1C 244774230 371732610 /nfs/dbraw/zinc/73/26/10/371732610.db2.gz PPZFTLDTFSBLGL-WOPDTQHZSA-N 1 0 199.338 2.268 50 0 AEAARO CC(C)[NH2+]CC1CC(F)(F)C1 306755819 371764675 /nfs/dbraw/zinc/76/46/75/371764675.db2.gz LNOAKUGZFHQZHX-UHFFFAOYSA-N 1 0 163.211 2.030 50 0 AEAARO [NH3+]Cc1ccc2ccccc2c1 2508288 375286666 /nfs/dbraw/zinc/28/66/66/375286666.db2.gz XBCAHQUVHHVHHL-UHFFFAOYSA-N 1 0 157.216 2.299 50 0 in-vitro AEAARO CCCCCCNC1=[NH+]CCS1 3885524 375287663 /nfs/dbraw/zinc/28/76/63/375287663.db2.gz MCRWWYQLJJKMCE-UHFFFAOYSA-N 1 0 186.324 2.259 50 0 in-vitro AEAARO CC(C)(C)[C@H]1CC[C@@H]([NH3+])C1 70621833 375334564 /nfs/dbraw/zinc/33/45/64/375334564.db2.gz FTNCLUXXFWNCTL-JGVFFNPUSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)(C)[C@H]1CC[C@H]([NH3+])C1 70621831 375334739 /nfs/dbraw/zinc/33/47/39/375334739.db2.gz FTNCLUXXFWNCTL-YUMQZZPRSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])C1 70621832 375335133 /nfs/dbraw/zinc/33/51/33/375335133.db2.gz FTNCLUXXFWNCTL-HTQZYQBOSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)Cc1csc(C[NH3+])c1 70601142 375335204 /nfs/dbraw/zinc/33/52/04/375335204.db2.gz RNQZLSJKHGDMFM-UHFFFAOYSA-N 1 0 169.293 2.405 50 0 AEAARO CC/C=C/[NH+]1CCCC1 100060298 375389808 /nfs/dbraw/zinc/38/98/08/375389808.db2.gz GQCQSPFOXSSUEG-ZZXKWVIFSA-N 1 0 125.215 2.006 50 0 AEAARO CCN(CC)c1ccc(C=[NH2+])c(O)c1 102452456 409449042 /nfs/dbraw/zinc/44/90/42/409449042.db2.gz PRDARADWHDJXRP-UHFFFAOYSA-N 1 0 192.262 2.236 50 0 AEAARO CCOc1cccc2c1CC[C@@H]2[NH3+] 42405065 572016542 /nfs/dbraw/zinc/01/65/42/572016542.db2.gz VCBRVXFVRIXQFC-JTQLQIEISA-N 1 0 177.247 2.031 50 0 in-vitro AEAARO CC(C)C[C@@H]([NH3+])C1(O)CCCCC1 115347755 573183518 /nfs/dbraw/zinc/18/35/18/573183518.db2.gz NQHNLQHVNSSRRN-SNVBAGLBSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])c1cc(C)cc(OC)c1 238311384 573201014 /nfs/dbraw/zinc/20/10/14/573201014.db2.gz WYRDCGOTANWNOL-NSHDSACASA-N 1 0 179.263 2.413 50 0 AEAARO C[NH2+]CC1=CSCc2ccccc21 238324886 573291668 /nfs/dbraw/zinc/29/16/68/573291668.db2.gz RUKSFMRNRSICBG-UHFFFAOYSA-N 1 0 191.299 2.494 50 0 AEAARO CC(C)[C@@H]1C[NH2+]CCC12CCOCC2 86193343 573291806 /nfs/dbraw/zinc/29/18/06/573291806.db2.gz JDRZZELGXYECEP-NSHDSACASA-N 1 0 197.322 2.049 50 0 AEAARO CC(C)(C)[C@H]([NH3+])C1(O)CCCCC1 116804977 573302412 /nfs/dbraw/zinc/30/24/12/573302412.db2.gz FVZDQPOHMMDSJD-VIFPVBQESA-N 1 0 185.311 2.055 50 0 AEAARO FC(F)(F)CCC1CC[NH2+]CC1 107459749 573622345 /nfs/dbraw/zinc/62/23/45/573622345.db2.gz KELABAWMRUGVFF-UHFFFAOYSA-N 1 0 181.201 2.329 50 0 AEAARO C[NH2+]CC1(CC(C)C)CC1 83962168 573715143 /nfs/dbraw/zinc/71/51/43/573715143.db2.gz FDPYEHHNZRAUBN-UHFFFAOYSA-N 1 0 141.258 2.032 50 0 AEAARO c1cc2c(cc1C1CC1)C[NH2+]CC2 87013351 573739553 /nfs/dbraw/zinc/73/95/53/573739553.db2.gz LYNHWTWCNPMHOX-UHFFFAOYSA-N 1 0 173.259 2.210 50 0 AEAARO C1CCCC([C@@H]2CC[NH2+]2)CC1 84330809 573837978 /nfs/dbraw/zinc/83/79/78/573837978.db2.gz LOXCVXPUUCWXAC-JTQLQIEISA-N 1 0 153.269 2.319 50 0 AEAARO Cc1ccc([C@H]([NH3+])[C@]2(C)CCCO2)o1 87229922 573842027 /nfs/dbraw/zinc/84/20/27/573842027.db2.gz YSSOSLLMPJZTLY-QWRGUYRKSA-N 1 0 195.262 2.157 50 0 AEAARO CC1(C)C[C@@]1([NH3+])Cc1ccccc1 84333080 573859098 /nfs/dbraw/zinc/85/90/98/573859098.db2.gz SAJITYZBSVJUIL-LBPRGKRZSA-N 1 0 175.275 2.357 50 0 AEAARO C[NH2+][C@@H](C)c1ccc(Cl)cn1 87286127 573865293 /nfs/dbraw/zinc/86/52/93/573865293.db2.gz VUBSUCPNROIAGJ-LURJTMIESA-N 1 0 170.643 2.015 50 0 AEAARO CC(C)C[C@H]1CC[C@@H]([NH3+])C1 77260338 517432978 /nfs/dbraw/zinc/43/29/78/517432978.db2.gz VVUYXYQEODWUGF-RKDXNWHRSA-N 1 0 141.258 2.160 50 0 AEAARO Brc1cccc2c[nH+]cn12 87493278 518224906 /nfs/dbraw/zinc/22/49/06/518224906.db2.gz SKBCZHYUTRSKIY-UHFFFAOYSA-N 1 0 197.035 2.097 50 0 in-vitro AEAARO CC(C)(C)[C@@H]1CC[C@H]([NH3+])C1 70621830 518944630 /nfs/dbraw/zinc/94/46/30/518944630.db2.gz FTNCLUXXFWNCTL-SFYZADRCSA-N 1 0 141.258 2.160 50 0 AEAARO CC(C)[NH2+]C1CC(C)(C)C1 87439873 519718639 /nfs/dbraw/zinc/71/86/39/519718639.db2.gz UIUOPOGVDHMILD-UHFFFAOYSA-N 1 0 141.258 2.173 50 0 AEAARO CC(C)OCCC[NH2+]Cc1ccco1 2522995 519764669 /nfs/dbraw/zinc/76/46/69/519764669.db2.gz YRXHRCBJTHWIGL-UHFFFAOYSA-N 1 0 197.278 2.184 50 0 AEAARO CCCCOc1ccc(C[NH3+])cc1 2584541 520876793 /nfs/dbraw/zinc/87/67/93/520876793.db2.gz AUAURTOWAVNOPQ-UHFFFAOYSA-N 1 0 179.263 2.324 50 0 in-vitro AEAARO C[NH2+]C1CC(C(C)(C)C)C1 87199817 521948215 /nfs/dbraw/zinc/94/82/15/521948215.db2.gz QZPFLLDEOOKPGS-UHFFFAOYSA-N 1 0 141.258 2.031 50 0 AEAARO C[NH2+]C[C@@H]1[C@H](C)C=C(C)C[C@H]1C 239174353 522064723 /nfs/dbraw/zinc/06/47/23/522064723.db2.gz PWAQHLVFMIZZFN-GMTAPVOTSA-N 1 0 167.296 2.444 50 0 AEAARO C[C@@H]1CCC[C@@H]([N@H+](C)CCN(C)C)C1 19636771 630020058 /nfs/dbraw/zinc/02/00/58/630020058.db2.gz ZAVFRUYUJHWKFT-VXGBXAGGSA-N 1 0 198.354 2.059 50 0 AEAARO C[C@@H]1CCC[C@H]([N@H+](C)CCN(C)C)C1 19636778 630020876 /nfs/dbraw/zinc/02/08/76/630020876.db2.gz ZAVFRUYUJHWKFT-NEPJUHHUSA-N 1 0 198.354 2.059 50 0 AEAARO C[C@H]1CCC[C@H]([N@H+](C)CCN(C)C)C1 19636782 630021157 /nfs/dbraw/zinc/02/11/57/630021157.db2.gz ZAVFRUYUJHWKFT-RYUDHWBXSA-N 1 0 198.354 2.059 50 0 AEAARO C[C@H]1CCC[C@@H]([N@H+](C)CCN(C)C)C1 19636774 630021840 /nfs/dbraw/zinc/02/18/40/630021840.db2.gz ZAVFRUYUJHWKFT-NWDGAFQWSA-N 1 0 198.354 2.059 50 0 AEAARO CCC[N@H+](CCO)[C@H]1CCC[C@H](C)C1 4612643 630046135 /nfs/dbraw/zinc/04/61/35/630046135.db2.gz NBSZUZVRSOMROT-RYUDHWBXSA-N 1 0 199.338 2.269 50 0 AEAARO Cc1nc[nH]c1C[NH+]1CCCCCC1 757133 630054074 /nfs/dbraw/zinc/05/40/74/630054074.db2.gz HKNIPTGMPPZDRM-UHFFFAOYSA-N 1 0 193.294 2.094 50 0 AEAARO CC[C@H]([NH3+])c1ccc(O)c(Cl)c1 95682302 630203059 /nfs/dbraw/zinc/20/30/59/630203059.db2.gz SNYWROGXHREEPB-QMMMGPOBSA-N 1 0 185.654 2.455 50 0 AEAARO CC[C@@H]([NH3+])c1ccc(O)c(Cl)c1 95664374 630205997 /nfs/dbraw/zinc/20/59/97/630205997.db2.gz SNYWROGXHREEPB-MRVPVSSYSA-N 1 0 185.654 2.455 50 0 AEAARO Cc1cc(C2C[NH2+]C2)c(O)cc1Cl 238520811 630223710 /nfs/dbraw/zinc/22/37/10/630223710.db2.gz BWGBHBRXKASKNO-UHFFFAOYSA-N 1 0 197.665 2.041 50 0 AEAARO CC1=C(C)[N+](=O)[C@H]2CCCC[C@@H]2N1O 6243501 630273233 /nfs/dbraw/zinc/27/32/33/630273233.db2.gz OJORUCFYPFGJEU-UWVGGRQHSA-N 1 0 197.258 2.033 50 0 AEAARO CC1=C(C)[N+](=O)[C@H]2CCCC[C@H]2N1O 6243504 630273282 /nfs/dbraw/zinc/27/32/82/630273282.db2.gz OJORUCFYPFGJEU-ZJUUUORDSA-N 1 0 197.258 2.033 50 0 AEAARO C[C@H]1CC[C@@H](c2ccccc2)[NH2+]1 83962877 524372556 /nfs/dbraw/zinc/37/25/56/524372556.db2.gz FTUSZADPSPPGFA-ONGXEEELSA-N 1 0 161.248 2.500 50 0 in-vitro AEAARO C[C@H]1CC[C@H](c2ccccc2)[NH2+]1 83962875 524424133 /nfs/dbraw/zinc/42/41/33/524424133.db2.gz FTUSZADPSPPGFA-GXSJLCMTSA-N 1 0 161.248 2.500 50 0 in-vitro AEAARO C[C@H]1C[N@@H+](C(C)(C)C)CC[C@H]1[NH+](C)C 101810080 630905427 /nfs/dbraw/zinc/90/54/27/630905427.db2.gz JSNCSHJZVZNBDE-WDEREUQCSA-N 1 0 198.354 2.057 50 0 AEAARO CC[C@H]([NH3+])[C@@]1(O)CCCC[C@@H]1CC 958528469 631162490 /nfs/dbraw/zinc/16/24/90/631162490.db2.gz UAGHDDIVMAXNCH-GARJFASQSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@@]1(O)CCCC[C@H]1CC 958528470 631162555 /nfs/dbraw/zinc/16/25/55/631162555.db2.gz UAGHDDIVMAXNCH-OUAUKWLOSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@]1(O)CCCC[C@H]1CC 958528471 631162761 /nfs/dbraw/zinc/16/27/61/631162761.db2.gz UAGHDDIVMAXNCH-VWYCJHECSA-N 1 0 185.311 2.055 50 0 AEAARO CC[C@H]([NH3+])[C@]1(O)CCCC[C@@H]1CC 958528468 631162799 /nfs/dbraw/zinc/16/27/99/631162799.db2.gz UAGHDDIVMAXNCH-DCAQKATOSA-N 1 0 185.311 2.055 50 0 AEAARO CCC[C@H]([NH3+])[C@]1(O)CCC(C)(C)C1 958528293 631163233 /nfs/dbraw/zinc/16/32/33/631163233.db2.gz PZSDZSUBKWTTMK-ONGXEEELSA-N 1 0 185.311 2.055 50 0 AEAARO CC(C)(O)[C@H]([NH3+])C1CCCCCC1 958528136 631163437 /nfs/dbraw/zinc/16/34/37/631163437.db2.gz JWQDJUDSRHOZEB-SNVBAGLBSA-N 1 0 185.311 2.055 50 0 AEAARO CCC[C@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528290 631163535 /nfs/dbraw/zinc/16/35/35/631163535.db2.gz PZSDZSUBKWTTMK-GXSJLCMTSA-N 1 0 185.311 2.055 50 0 AEAARO CCC(CC)[C@H]([NH3+])C1(O)CCCC1 958527546 631163555 /nfs/dbraw/zinc/16/35/55/631163555.db2.gz CHCSJZXRZCCCQJ-JTQLQIEISA-N 1 0 185.311 2.055 50 0 AEAARO CC(C)[C@@H]([NH3+])C1(O)CCCCCCC1 958528217 631163647 /nfs/dbraw/zinc/16/36/47/631163647.db2.gz OUDNKWKCIIMVAW-LLVKDONJSA-N 1 0 199.338 2.445 50 0 AEAARO CC(C)(O)[C@@H]([NH3+])C1CCCCCC1 958528135 631163686 /nfs/dbraw/zinc/16/36/86/631163686.db2.gz JWQDJUDSRHOZEB-JTQLQIEISA-N 1 0 185.311 2.055 50 0 AEAARO CCC(O)(CC)[C@H]([NH3+])C1CCCC1 958527799 631163701 /nfs/dbraw/zinc/16/37/01/631163701.db2.gz DSUDYMNUJJKSKH-SNVBAGLBSA-N 1 0 185.311 2.055 50 0 AEAARO CC(C)[C@H]([NH3+])C1(O)CCCCCCC1 958528218 631163812 /nfs/dbraw/zinc/16/38/12/631163812.db2.gz OUDNKWKCIIMVAW-NSHDSACASA-N 1 0 199.338 2.445 50 0 AEAARO CCC[C@@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528292 631163916 /nfs/dbraw/zinc/16/39/16/631163916.db2.gz PZSDZSUBKWTTMK-MWLCHTKSSA-N 1 0 185.311 2.055 50 0 AEAARO CCC(O)(CC)[C@@H]([NH3+])C1CCCC1 958527798 631164033 /nfs/dbraw/zinc/16/40/33/631164033.db2.gz DSUDYMNUJJKSKH-JTQLQIEISA-N 1 0 185.311 2.055 50 0 AEAARO CCC[C@@H]([NH3+])[C@]1(O)CCC(C)(C)C1 958528291 631164140 /nfs/dbraw/zinc/16/41/40/631164140.db2.gz PZSDZSUBKWTTMK-KOLCDFICSA-N 1 0 185.311 2.055 50 0 AEAARO CCC(CC)[C@@H]([NH3+])C1(O)CCCC1 958527547 631164165 /nfs/dbraw/zinc/16/41/65/631164165.db2.gz CHCSJZXRZCCCQJ-SNVBAGLBSA-N 1 0 185.311 2.055 50 0 AEAARO CCC(O)(CC)[C@H]([NH3+])c1ccsc1 958528894 631164496 /nfs/dbraw/zinc/16/44/96/631164496.db2.gz YAEVROGVRDSSAN-SECBINFHSA-N 1 0 199.319 2.299 50 0 AEAARO CCC(O)(CC)[C@@H]([NH3+])c1ccsc1 958528895 631164974 /nfs/dbraw/zinc/16/49/74/631164974.db2.gz YAEVROGVRDSSAN-VIFPVBQESA-N 1 0 199.319 2.299 50 0 AEAARO CCC[N@H+](CCO)[C@H]1CCC[C@@H](C)C1 16663313 631171924 /nfs/dbraw/zinc/17/19/24/631171924.db2.gz NBSZUZVRSOMROT-NEPJUHHUSA-N 1 0 199.338 2.269 50 0 AEAARO C[C@H]([NH3+])c1cnc(C(F)(F)F)s1 147356566 524867824 /nfs/dbraw/zinc/86/78/24/524867824.db2.gz ZCCASOYIKMELJV-VKHMYHEASA-N 1 0 196.197 2.182 50 0 AEAARO C[C@@H]([NH3+])c1cnc(C(F)(F)F)s1 147356339 525032178 /nfs/dbraw/zinc/03/21/78/525032178.db2.gz ZCCASOYIKMELJV-GSVOUGTGSA-N 1 0 196.197 2.182 50 0 AEAARO C[C@@H]1C[N@@H+](C(C)(C)C)CC[C@H]1[NH+](C)C 5729933 1224162533 /nfs/dbraw/zinc/16/25/33/1224162533.db2.gz JSNCSHJZVZNBDE-GHMZBOCLSA-N 1 0 198.354 2.057 50 0 AEAARO CCC[NH2+]Cc1ccc(F)cc1F 19424713 1224163479 /nfs/dbraw/zinc/16/34/79/1224163479.db2.gz KPVAIUHSMFTAJU-UHFFFAOYSA-N 1 0 185.217 2.464 50 0 AEAARO FC1(F)CCC2(CC[NH2+]C2)CC1 257895848 526274936 /nfs/dbraw/zinc/27/49/36/526274936.db2.gz ODRLQDMUBHUYOE-UHFFFAOYSA-N 1 0 175.222 2.175 50 0 in-vitro AEAARO Fc1ccc(C2CC[NH2+]CC2)cc1F 2524470 526328512 /nfs/dbraw/zinc/32/85/12/526328512.db2.gz AISKKPHNOXOTEH-UHFFFAOYSA-N 1 0 197.228 2.432 50 0 AEAARO C#[N+]c1ccc(N2CCOCC2)cc1 95686583 526390848 /nfs/dbraw/zinc/39/08/48/526390848.db2.gz TVMUDUURDNRXNZ-UHFFFAOYSA-N 1 0 188.230 2.074 50 0 in-vitro AEAARO c1coc([C@@H]2[NH2+]CC23CCCC3)c1 307030477 526568699 /nfs/dbraw/zinc/56/86/99/526568699.db2.gz PNSHDXCAJGLLCA-JTQLQIEISA-N 1 0 177.247 2.484 50 0 AEAARO c1coc([C@H]2[NH2+]CC23CCCC3)c1 307030478 526571243 /nfs/dbraw/zinc/57/12/43/526571243.db2.gz PNSHDXCAJGLLCA-SNVBAGLBSA-N 1 0 177.247 2.484 50 0 AEAARO [NH3+][C@H](C1CCCC1)C1CCC1 83121500 527327209 /nfs/dbraw/zinc/32/72/09/527327209.db2.gz SMICQCUOJANZEX-SNVBAGLBSA-N 1 0 153.269 2.304 50 0 AEAARO [NH3+][C@@H]1CCCC12CCCCC2 107398714 527340510 /nfs/dbraw/zinc/34/05/10/527340510.db2.gz NKBQOEBTDKIYHY-SECBINFHSA-N 1 0 153.269 2.448 50 0 AEAARO [NH3+][C@H](c1ccc(Cl)cn1)C1CC1 82707490 527390891 /nfs/dbraw/zinc/39/08/91/527390891.db2.gz SSHASSTUUGRIFR-VIFPVBQESA-N 1 0 182.654 2.145 50 0 AEAARO [NH3+][C@H]1CCCC12CCCCC2 107398713 527393730 /nfs/dbraw/zinc/39/37/30/527393730.db2.gz NKBQOEBTDKIYHY-VIFPVBQESA-N 1 0 153.269 2.448 50 0 AEAARO Nc1cccc(C[NH+]2CCCCC2)c1 2599296 527517586 /nfs/dbraw/zinc/51/75/86/527517586.db2.gz SEJNYLBEEMVJNN-UHFFFAOYSA-N 1 0 190.290 2.255 50 0 in-vitro AEAARO O[C@@H]1CCCCC[C@H]1[NH+]1CCCCC1 40457243 527668611 /nfs/dbraw/zinc/66/86/11/527668611.db2.gz MBQOZOVWEOSXAT-VXGBXAGGSA-N 1 0 197.322 2.166 50 0 AEAARO CCC[NH2+][C@@H](C)[C@@H](C)CC 20084296 528547563 /nfs/dbraw/zinc/54/75/63/528547563.db2.gz XIGAQVHJQKWWCO-IUCAKERBSA-N 1 0 143.274 2.421 50 0 AEAARO