smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(C[NH3+])CCCCCCC1 87690099 574017798 /nfs/dbraw/zinc/01/77/98/574017798.db2.gz CKOUFYLSWNIFNN-UHFFFAOYSA-N 1 0 169.312 3.086 50 0 AGAARO CCC[C@H](Cc1ccccc1)[NH2+]CC 37992609 1169078242 /nfs/dbraw/zinc/07/82/42/1169078242.db2.gz LLTXYACYGSURSM-CYBMUJFWSA-N 1 0 191.318 3.007 50 0 AGAARO CCC[C@@H](Cc1ccccc1)[NH2+]CC 37992608 1169078753 /nfs/dbraw/zinc/07/87/53/1169078753.db2.gz LLTXYACYGSURSM-ZDUSSCGKSA-N 1 0 191.318 3.007 50 0 AGAARO C[C@H]1CC(C2CCCCC2)C[C@H](C)[NH2+]1 307539704 673956357 /nfs/dbraw/zinc/95/63/57/673956357.db2.gz YUIJTCJCPGOFSQ-QWRGUYRKSA-N 1 0 195.350 3.343 50 0 AGAARO C[C@@H]1CC(C2CCCCC2)C[C@@H](C)[NH2+]1 307539702 673956383 /nfs/dbraw/zinc/95/63/83/673956383.db2.gz YUIJTCJCPGOFSQ-GHMZBOCLSA-N 1 0 195.350 3.343 50 0 AGAARO c1ccc([C@@H]2CCCCCC[NH2+]2)cc1 60225378 673969886 /nfs/dbraw/zinc/96/98/86/673969886.db2.gz VUCTXSSFEDZXPV-ZDUSSCGKSA-N 1 0 189.302 3.281 50 0 AGAARO c1ccc([C@H]2CCCCCC[NH2+]2)cc1 60225380 673970221 /nfs/dbraw/zinc/97/02/21/673970221.db2.gz VUCTXSSFEDZXPV-CYBMUJFWSA-N 1 0 189.302 3.281 50 0 AGAARO CCCCCC[NH+]1CCCCC1 32157432 673973665 /nfs/dbraw/zinc/97/36/65/673973665.db2.gz BBYSGWAYRRMWOW-UHFFFAOYSA-N 1 0 169.312 3.053 50 0 AGAARO C[C@H]1C[C@@H](C)C[C@H](C2CCCCC2)[NH2+]1 708049702 673990182 /nfs/dbraw/zinc/99/01/82/673990182.db2.gz NFSFJEXNXXCIJT-NTZNESFSSA-N 1 0 195.350 3.343 50 0 AGAARO C[C@@H]1C[C@@H](C)[NH2+][C@@H](C2CCCCC2)C1 708049701 673990550 /nfs/dbraw/zinc/99/05/50/673990550.db2.gz NFSFJEXNXXCIJT-NQBHXWOUSA-N 1 0 195.350 3.343 50 0 AGAARO C[C@H]1C[C@@H](C)C[C@@H](C2CCCCC2)[NH2+]1 708049700 673990740 /nfs/dbraw/zinc/99/07/40/673990740.db2.gz NFSFJEXNXXCIJT-MDZLAQPJSA-N 1 0 195.350 3.343 50 0 AGAARO C[C@H]1C[C@@H](C2CCCCC2)[NH2+][C@H](C)C1 708049704 673990827 /nfs/dbraw/zinc/99/08/27/673990827.db2.gz NFSFJEXNXXCIJT-WZRBSPASSA-N 1 0 195.350 3.343 50 0 AGAARO CCC[NH2+][C@@H](CCC)[C@H](C)CC 82562570 572050226 /nfs/dbraw/zinc/05/02/26/572050226.db2.gz PKKACNYNMGLGSE-MNOVXSKESA-N 1 0 171.328 3.201 50 0 AGAARO CCC[NH2+][C@H](CCC)[C@H](C)CC 82562571 572050663 /nfs/dbraw/zinc/05/06/63/572050663.db2.gz PKKACNYNMGLGSE-GHMZBOCLSA-N 1 0 171.328 3.201 50 0 AGAARO CCC[NH2+][C@@H](CCC)[C@@H](C)CC 82562568 572050740 /nfs/dbraw/zinc/05/07/40/572050740.db2.gz PKKACNYNMGLGSE-QWRGUYRKSA-N 1 0 171.328 3.201 50 0 AGAARO CCC[NH2+][C@H](CCC)[C@@H](C)CC 82562569 572051087 /nfs/dbraw/zinc/05/10/87/572051087.db2.gz PKKACNYNMGLGSE-WDEREUQCSA-N 1 0 171.328 3.201 50 0 AGAARO COC1=[NH+]c2ccccc2[C@@H]2C[C@@H]2C=C1 254347558 572727966 /nfs/dbraw/zinc/72/79/66/572727966.db2.gz FSCVQZZIKDDUGS-GXSJLCMTSA-N 1 0 199.253 3.036 50 0 AGAARO COC1=[NH+]c2ccccc2[C@H]2C[C@H]2C=C1 254347568 572728692 /nfs/dbraw/zinc/72/86/92/572728692.db2.gz FSCVQZZIKDDUGS-KOLCDFICSA-N 1 0 199.253 3.036 50 0 AGAARO COC1=[NH+]c2ccccc2[C@@H]2C[C@H]2C=C1 254347575 572728776 /nfs/dbraw/zinc/72/87/76/572728776.db2.gz FSCVQZZIKDDUGS-MWLCHTKSSA-N 1 0 199.253 3.036 50 0 AGAARO COC1=[NH+]c2ccccc2[C@H]2C[C@@H]2C=C1 254347579 572729804 /nfs/dbraw/zinc/72/98/04/572729804.db2.gz FSCVQZZIKDDUGS-ONGXEEELSA-N 1 0 199.253 3.036 50 0 AGAARO [NH3+]C(CC1CCCC1)CC1CCCC1 126461910 573542827 /nfs/dbraw/zinc/54/28/27/573542827.db2.gz FZQMMVLZVFNSGS-UHFFFAOYSA-N 1 0 195.350 3.474 50 0 AGAARO Cc1cc(Nc2ccccc2)cc(C)[nH+]1 238486525 582459993 /nfs/dbraw/zinc/45/99/93/582459993.db2.gz YBGLUIXYZLGSOM-UHFFFAOYSA-N 1 0 198.269 3.442 50 0 AGAARO C[N@H+](Cc1ccoc1)C1CCCCC1 757159 583074387 /nfs/dbraw/zinc/07/43/87/583074387.db2.gz DUGVXKWTNQBNGG-UHFFFAOYSA-N 1 0 193.290 3.044 50 0 AGAARO Cc1cc(C[NH2+]C(C)C)ccc1Cl 125466063 490033990 /nfs/dbraw/zinc/03/39/90/490033990.db2.gz SNJZFMOYMCQPKV-UHFFFAOYSA-N 1 0 197.709 3.146 50 0 AGAARO CCC[NH2+]Cc1ccc(Cl)c(C)c1 125464806 490033824 /nfs/dbraw/zinc/03/38/24/490033824.db2.gz ZTKKLLRMOSTDQI-UHFFFAOYSA-N 1 0 197.709 3.148 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccc(F)cc1F 19427645 491020947 /nfs/dbraw/zinc/02/09/47/491020947.db2.gz STCGTMRTQOIRBW-QMMMGPOBSA-N 1 0 199.244 3.025 50 0 AGAARO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)[C@H](C)C1 306762432 697732871 /nfs/dbraw/zinc/73/28/71/697732871.db2.gz XXFHKYGRXROBSF-DMDPSCGWSA-N 1 0 195.350 3.201 50 0 AGAARO C[C@@H]1C[NH2+][C@H](C2CCCCC2)[C@@H](C)C1 306762434 697732931 /nfs/dbraw/zinc/73/29/31/697732931.db2.gz XXFHKYGRXROBSF-GVXVVHGQSA-N 1 0 195.350 3.201 50 0 AGAARO C[C@@H]1C[NH2+][C@H](C2CCCCC2)[C@H](C)C1 306762436 697733008 /nfs/dbraw/zinc/73/30/08/697733008.db2.gz XXFHKYGRXROBSF-LOWVWBTDSA-N 1 0 195.350 3.201 50 0 AGAARO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)[C@@H](C)C1 306762433 697733087 /nfs/dbraw/zinc/73/30/87/697733087.db2.gz XXFHKYGRXROBSF-GMXVVIOVSA-N 1 0 195.350 3.201 50 0 AGAARO CCCCCC[C@H]1CCCC[NH2+]1 1555228 342947035 /nfs/dbraw/zinc/94/70/35/342947035.db2.gz CVQIVQWRZCBIBC-NSHDSACASA-N 1 0 169.312 3.099 50 0 in-vitro AGAARO CCCCC[NH2+]Cc1ccc(C)s1 2178099 342970804 /nfs/dbraw/zinc/97/08/04/342970804.db2.gz UOADVGMUUBVSLL-UHFFFAOYSA-N 1 0 197.347 3.336 50 0 AGAARO CCCC[NH2+]Cc1cccc(Cl)c1 2181869 342970814 /nfs/dbraw/zinc/97/08/14/342970814.db2.gz GAAGRDXHAYEBJG-UHFFFAOYSA-N 1 0 197.709 3.230 50 0 in-vitro AGAARO Cc1ccc([C@H]([NH3+])c2ccccc2)cc1 2504661 342972740 /nfs/dbraw/zinc/97/27/40/342972740.db2.gz UHPQFNXOFFPHJW-CQSZACIVSA-N 1 0 197.281 3.043 50 0 in-vitro AGAARO C[C@H]([NH2+]C1CCCC1)c1ccccc1 2509232 342972868 /nfs/dbraw/zinc/97/28/68/342972868.db2.gz QAWCRVLOFPHFRM-NSHDSACASA-N 1 0 189.302 3.280 50 0 in-vitro AGAARO C[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 3705346 342983727 /nfs/dbraw/zinc/98/37/27/342983727.db2.gz IMSCAUVOIHGEFA-LURJTMIESA-N 1 0 195.649 3.106 50 0 in-vitro AGAARO CCCCCC[C@@H]1CCCC[NH2+]1 3734438 342984477 /nfs/dbraw/zinc/98/44/77/342984477.db2.gz CVQIVQWRZCBIBC-LLVKDONJSA-N 1 0 169.312 3.099 50 0 in-vitro AGAARO CCc1ccc([C@H]2CCCC[NH2+]2)cc1 3734697 342984478 /nfs/dbraw/zinc/98/44/78/342984478.db2.gz FUVWZPSZDYEDOL-CYBMUJFWSA-N 1 0 189.302 3.064 50 0 AGAARO Cc1cccc([C@H]2CCCCC[NH2+]2)c1 3734909 342984489 /nfs/dbraw/zinc/98/44/89/342984489.db2.gz NJQUNODHZTUWRZ-CYBMUJFWSA-N 1 0 189.302 3.200 50 0 in-vitro AGAARO CCCCCC[C@H]1CCCCC[NH2+]1 3734874 342984499 /nfs/dbraw/zinc/98/44/99/342984499.db2.gz HYDFJTYHEKAYBT-LBPRGKRZSA-N 1 0 183.339 3.489 50 0 in-vitro AGAARO Cc1ccsc1[C@@H]1CCCCC[NH2+]1 3735150 342984509 /nfs/dbraw/zinc/98/45/09/342984509.db2.gz NDUGFZZLFOVAKS-JTQLQIEISA-N 1 0 195.331 3.261 50 0 AGAARO Cc1ccc([C@H]2CCCCC[NH2+]2)s1 3735151 342984527 /nfs/dbraw/zinc/98/45/27/342984527.db2.gz HTNOJSJPYSIFDC-SNVBAGLBSA-N 1 0 195.331 3.261 50 0 in-vitro AGAARO Cc1ccc([C@H]2CCCCC[NH2+]2)cc1 3734920 342984529 /nfs/dbraw/zinc/98/45/29/342984529.db2.gz COHNBVKUGIKOPE-CYBMUJFWSA-N 1 0 189.302 3.200 50 0 in-vitro AGAARO CCc1ccc([C@@H]2CCCC[NH2+]2)cc1 3734698 342984543 /nfs/dbraw/zinc/98/45/43/342984543.db2.gz FUVWZPSZDYEDOL-ZDUSSCGKSA-N 1 0 189.302 3.064 50 0 AGAARO Cc1ccsc1[C@H]1CCCCC[NH2+]1 3735149 342984544 /nfs/dbraw/zinc/98/45/44/342984544.db2.gz NDUGFZZLFOVAKS-SNVBAGLBSA-N 1 0 195.331 3.261 50 0 AGAARO CC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 4298909 342990418 /nfs/dbraw/zinc/99/04/18/342990418.db2.gz BMEFZEYKCJPZCH-LBPRGKRZSA-N 1 0 191.318 3.394 50 0 AGAARO CC(C)c1ccc([C@H]2CCC[NH2+]2)cc1 4234768 342989263 /nfs/dbraw/zinc/98/92/63/342989263.db2.gz ZYXHXFDDXNHWHZ-CYBMUJFWSA-N 1 0 189.302 3.235 50 0 in-vitro AGAARO Cc1ccc(C)c([C@@H]2CCCC[NH2+]2)c1 4234837 342989440 /nfs/dbraw/zinc/98/94/40/342989440.db2.gz OYLNLSGRIMNJLO-ZDUSSCGKSA-N 1 0 189.302 3.118 50 0 in-vitro AGAARO CC1=[NH+]C(C)(C)Cc2c(C)cccc21 4854593 342996522 /nfs/dbraw/zinc/99/65/22/342996522.db2.gz WSWUEHLQIDTQLU-UHFFFAOYSA-N 1 0 187.286 3.139 50 0 AGAARO CCc1ccc(C[NH+](CC)CC)cc1 6359150 343013843 /nfs/dbraw/zinc/01/38/43/343013843.db2.gz SBSQUCUSGSSNMR-UHFFFAOYSA-N 1 0 191.318 3.091 50 0 AGAARO CCCCC[NH2+]Cc1ccccc1C 7261351 343017398 /nfs/dbraw/zinc/01/73/98/343017398.db2.gz AHGGLNYKYYVAMO-UHFFFAOYSA-N 1 0 191.318 3.275 50 0 AGAARO CCC(C)(C)[NH2+]CC1CCCCC1 13718578 343037022 /nfs/dbraw/zinc/03/70/22/343037022.db2.gz SHFVUSPIFQFAHQ-UHFFFAOYSA-N 1 0 183.339 3.345 50 0 AGAARO CCCC[NH2+][C@@H](C)Cc1ccccc1 17287562 343046448 /nfs/dbraw/zinc/04/64/48/343046448.db2.gz VIAVBPFRYASSKF-LBPRGKRZSA-N 1 0 191.318 3.007 50 0 AGAARO CCC(CC)[NH2+]Cc1ccccc1F 19093846 343051031 /nfs/dbraw/zinc/05/10/31/343051031.db2.gz YQSUZVDNYDHSBF-UHFFFAOYSA-N 1 0 195.281 3.104 50 0 AGAARO CC1CCC([NH2+]C2CCCC2)CC1 19093844 343051038 /nfs/dbraw/zinc/05/10/38/343051038.db2.gz YPJRNALUOUDJDU-UHFFFAOYSA-N 1 0 181.323 3.097 50 0 AGAARO CC[C@H](C)[NH2+]C1CCCCCC1 19093842 343051039 /nfs/dbraw/zinc/05/10/39/343051039.db2.gz AHIBWCFSQAGTCK-JTQLQIEISA-N 1 0 169.312 3.097 50 0 in-vitro AGAARO C[C@H]([NH2+]C1CC1)c1cccc(Cl)c1 19259110 343051961 /nfs/dbraw/zinc/05/19/61/343051961.db2.gz FOACGCBCJXZXRW-QMMMGPOBSA-N 1 0 195.693 3.153 50 0 AGAARO C[C@H]([NH2+]C1CC1)c1ccccc1Cl 19261347 343052389 /nfs/dbraw/zinc/05/23/89/343052389.db2.gz LLWLXYGPGGEOBT-QMMMGPOBSA-N 1 0 195.693 3.153 50 0 in-vitro AGAARO CCc1ccc([C@@H](C)[NH2+]C2CC2)cc1 19389258 343053990 /nfs/dbraw/zinc/05/39/90/343053990.db2.gz HOZSUSJOGZCLTG-SNVBAGLBSA-N 1 0 189.302 3.062 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C 19945490 343064902 /nfs/dbraw/zinc/06/49/02/343064902.db2.gz BEBSPGROHXLRJS-SDDRHHMPSA-N 1 0 183.339 3.199 50 0 AGAARO Cc1ccc(C[NH2+][C@H](C)C(C)C)cc1 19962514 343065316 /nfs/dbraw/zinc/06/53/16/343065316.db2.gz JBYVPFBRCVSBQX-GFCCVEGCSA-N 1 0 191.318 3.129 50 0 AGAARO Cc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 19962516 343065356 /nfs/dbraw/zinc/06/53/56/343065356.db2.gz JBYVPFBRCVSBQX-LBPRGKRZSA-N 1 0 191.318 3.129 50 0 AGAARO Cc1ccc([C@@H]([NH3+])CC(C)(C)C)s1 19969859 343065758 /nfs/dbraw/zinc/06/57/58/343065758.db2.gz AZAUIIYGGCSWSQ-VIFPVBQESA-N 1 0 197.347 3.493 50 0 AGAARO CC[C@H](C)C[NH2+]C1CCCCCC1 20018358 343065759 /nfs/dbraw/zinc/06/57/59/343065759.db2.gz IMKXZOZYGMIBPW-NSHDSACASA-N 1 0 183.339 3.345 50 0 AGAARO CC[C@H](C)C[NH2+][C@H](C)c1ccccc1 20085319 343067216 /nfs/dbraw/zinc/06/72/16/343067216.db2.gz VOWTWTNWYPEPNV-NWDGAFQWSA-N 1 0 191.318 3.383 50 0 AGAARO CC1CCC([NH2+]C2CCCCC2)CC1 19878870 343063014 /nfs/dbraw/zinc/06/30/14/343063014.db2.gz DDKRRVVHQZKQCU-UHFFFAOYSA-N 1 0 195.350 3.487 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]C(C)C)cc1C 19881005 343063246 /nfs/dbraw/zinc/06/32/46/343063246.db2.gz IIVHQMIWCRVJOH-GFCCVEGCSA-N 1 0 191.318 3.362 50 0 AGAARO CCC(CC)[NH2+]Cc1cccc(F)c1 19883738 343063525 /nfs/dbraw/zinc/06/35/25/343063525.db2.gz OHZNLVLAADPAGM-UHFFFAOYSA-N 1 0 195.281 3.104 50 0 AGAARO Cc1ccc([C@@H]([NH3+])CCC(C)C)cc1 20252100 343069979 /nfs/dbraw/zinc/06/99/79/343069979.db2.gz JMNLQMLBJJCMEM-ZDUSSCGKSA-N 1 0 191.318 3.431 50 0 AGAARO CC[NH+](CC)C(C)(C)c1ccccc1 32220487 343101340 /nfs/dbraw/zinc/10/13/40/343101340.db2.gz YEBNYJIUJAOKER-UHFFFAOYSA-N 1 0 191.318 3.264 50 0 AGAARO CCC[NH2+][C@@H](c1ccccc1)C(C)C 34115958 343110862 /nfs/dbraw/zinc/11/08/62/343110862.db2.gz IRFAYWANRDSOEU-CYBMUJFWSA-N 1 0 191.318 3.383 50 0 AGAARO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 37021709 343157381 /nfs/dbraw/zinc/15/73/81/343157381.db2.gz USROIRBNYXPKKK-FIQHERPVSA-N 1 0 183.339 3.199 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C 37021612 343157382 /nfs/dbraw/zinc/15/73/82/343157382.db2.gz BEBSPGROHXLRJS-GRYCIOLGSA-N 1 0 183.339 3.199 50 0 AGAARO CC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 37978532 343182940 /nfs/dbraw/zinc/18/29/40/343182940.db2.gz DQNUILFOWGCDER-LBPRGKRZSA-N 1 0 191.318 3.192 50 0 AGAARO C[C@H]([NH3+])c1ccccc1-c1ccccc1 38070617 343184033 /nfs/dbraw/zinc/18/40/33/343184033.db2.gz WPRJUUUGBBRPCJ-NSHDSACASA-N 1 0 197.281 3.373 50 0 in-vitro AGAARO CCCC[C@@H](CC)C[C@@H]1CC[NH2+]C1 42784161 343249741 /nfs/dbraw/zinc/24/97/41/343249741.db2.gz PHZDGGKMKGOWTA-NEPJUHHUSA-N 1 0 183.339 3.202 50 0 AGAARO CC[C@@H]([NH3+])c1ccc2ccccc2c1 55346005 343336107 /nfs/dbraw/zinc/33/61/07/343336107.db2.gz IAXXIFPEUHKYRY-CYBMUJFWSA-N 1 0 185.270 3.250 50 0 AGAARO C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 82530297 343605944 /nfs/dbraw/zinc/60/59/44/343605944.db2.gz DYNJVRIGZRAWQN-YFKPBYRVSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO CC[C@@H]([NH2+]C1CC1)c1ccccc1F 84354225 343635212 /nfs/dbraw/zinc/63/52/12/343635212.db2.gz QKOPIFDUXHTPAH-GFCCVEGCSA-N 1 0 193.265 3.029 50 0 AGAARO C1=C([NH+]2CCCC2)CCc2ccccc21 57986639 166072365 /nfs/dbraw/zinc/07/23/65/166072365.db2.gz YWYAUYAEQBYZFN-UHFFFAOYSA-N 1 0 199.297 3.070 50 0 AGAARO C1CCC(CC[C@H]2CCC[NH2+]2)CC1 3732361 166086811 /nfs/dbraw/zinc/08/68/11/166086811.db2.gz OAVYCDIPKWSKAX-GFCCVEGCSA-N 1 0 181.323 3.099 50 0 in-vitro AGAARO C1CCC(C[NH2+]C2CCCC2)CC1 10474076 166086907 /nfs/dbraw/zinc/08/69/07/166086907.db2.gz CVVXWQHFMDYTSH-UHFFFAOYSA-N 1 0 181.323 3.099 50 0 AGAARO C1CCC(CC[C@H]2CCC[NH2+]C2)CC1 42784233 166086932 /nfs/dbraw/zinc/08/69/32/166086932.db2.gz VLMGCCBHYXOQCD-CYBMUJFWSA-N 1 0 195.350 3.347 50 0 in-vitro AGAARO C1CCC(C[NH2+]C2CCCCC2)CC1 5828550 166087213 /nfs/dbraw/zinc/08/72/13/166087213.db2.gz JMXKCMGJNZQWDD-UHFFFAOYSA-N 1 0 195.350 3.489 50 0 AGAARO C1CCC(CC[C@@H]2CCC[NH2+]2)CC1 3732362 166087301 /nfs/dbraw/zinc/08/73/01/166087301.db2.gz OAVYCDIPKWSKAX-LBPRGKRZSA-N 1 0 181.323 3.099 50 0 in-vitro AGAARO C1CCC(CC[C@@H]2CCC[NH2+]C2)CC1 42784232 166087362 /nfs/dbraw/zinc/08/73/62/166087362.db2.gz VLMGCCBHYXOQCD-ZDUSSCGKSA-N 1 0 195.350 3.347 50 0 in-vitro AGAARO C1CCC(C[C@H]2CCCC[NH2+]2)CC1 967182 166087785 /nfs/dbraw/zinc/08/77/85/166087785.db2.gz WKYVKENYQAXODJ-GFCCVEGCSA-N 1 0 181.323 3.099 50 0 in-vitro AGAARO C1CCC(CCC2CC[NH2+]CC2)CC1 51690004 166087862 /nfs/dbraw/zinc/08/78/62/166087862.db2.gz OKKFUFHNPJPJCK-UHFFFAOYSA-N 1 0 195.350 3.347 50 0 AGAARO C1CCC(C[C@@H]2CCCC[NH2+]2)CC1 967183 166088238 /nfs/dbraw/zinc/08/82/38/166088238.db2.gz WKYVKENYQAXODJ-LBPRGKRZSA-N 1 0 181.323 3.099 50 0 in-vitro AGAARO C1CCC2(CC1)C[C@H]1CCCC[C@@H]1[NH2+]2 40449214 166089428 /nfs/dbraw/zinc/08/94/28/166089428.db2.gz DTFFTLWVGDLLNN-NEPJUHHUSA-N 1 0 193.334 3.241 50 0 AGAARO C1CCC2(CC1)C[C@@H]1CCCC[C@@H]1[NH2+]2 40449212 166089620 /nfs/dbraw/zinc/08/96/20/166089620.db2.gz DTFFTLWVGDLLNN-RYUDHWBXSA-N 1 0 193.334 3.241 50 0 AGAARO C1CCC2(CC1)C[C@H]1CCCC[C@H]1[NH2+]2 40449218 166089621 /nfs/dbraw/zinc/08/96/21/166089621.db2.gz DTFFTLWVGDLLNN-VXGBXAGGSA-N 1 0 193.334 3.241 50 0 AGAARO C1CCC2(CC1)C[C@@H]1CCCC[C@H]1[NH2+]2 40449216 166089674 /nfs/dbraw/zinc/08/96/74/166089674.db2.gz DTFFTLWVGDLLNN-NWDGAFQWSA-N 1 0 193.334 3.241 50 0 AGAARO C1CCC([C@@H]2CCCCC[NH2+]2)CC1 3734880 166090134 /nfs/dbraw/zinc/09/01/34/166090134.db2.gz ISIMDFSUERBKBJ-LBPRGKRZSA-N 1 0 181.323 3.099 50 0 in-vitro AGAARO C1CCCCCC[NH2+]CCCCC1 4787588 166090259 /nfs/dbraw/zinc/09/02/59/166090259.db2.gz UFADJPZTTUWZMP-UHFFFAOYSA-N 1 0 183.339 3.491 50 0 in-vitro AGAARO C1CCC([C@H]2CCCCC[NH2+]2)CC1 3734879 166090266 /nfs/dbraw/zinc/09/02/66/166090266.db2.gz ISIMDFSUERBKBJ-GFCCVEGCSA-N 1 0 181.323 3.099 50 0 in-vitro AGAARO C1CCCC([NH2+]C2CCCC2)CC1 7989133 166090397 /nfs/dbraw/zinc/09/03/97/166090397.db2.gz RFPSTLMHFYCSOI-UHFFFAOYSA-N 1 0 181.323 3.241 50 0 AGAARO CC(C)(C)C1CCC([NH2+]C2CC2)CC1 21953761 166348203 /nfs/dbraw/zinc/34/82/03/166348203.db2.gz XNHVUWXKVFEPAN-UHFFFAOYSA-N 1 0 195.350 3.343 50 0 AGAARO CC(C)(C)CC[NH2+]Cc1ccccc1 34622351 166352403 /nfs/dbraw/zinc/35/24/03/166352403.db2.gz ADGQLUSYEDVRNF-UHFFFAOYSA-N 1 0 191.318 3.212 50 0 in-vitro AGAARO CC(C)(C)C[NH2+]C1CCCCCC1 37927408 166352917 /nfs/dbraw/zinc/35/29/17/166352917.db2.gz UCYFYKWXXSSELC-UHFFFAOYSA-N 1 0 183.339 3.345 50 0 AGAARO CC(C)(C)C[C@@H]([NH3+])c1ccccc1 19421307 166355791 /nfs/dbraw/zinc/35/57/91/166355791.db2.gz XWNKOGFRWAPVGE-LLVKDONJSA-N 1 0 177.291 3.123 50 0 in-vitro AGAARO CC(C)(C)C[C@H]([NH3+])c1ccc(F)cc1 19421555 166357359 /nfs/dbraw/zinc/35/73/59/166357359.db2.gz MKWUIZGKZIUVGC-NSHDSACASA-N 1 0 195.281 3.262 50 0 in-vitro AGAARO CC(C)(C)C[C@H]([NH3+])c1ccccc1 19421309 166357373 /nfs/dbraw/zinc/35/73/73/166357373.db2.gz XWNKOGFRWAPVGE-NSHDSACASA-N 1 0 177.291 3.123 50 0 in-vitro AGAARO CC(C)(C)C[C@@H]([NH3+])c1ccc(F)cc1 19421553 166357401 /nfs/dbraw/zinc/35/74/01/166357401.db2.gz MKWUIZGKZIUVGC-LLVKDONJSA-N 1 0 195.281 3.262 50 0 in-vitro AGAARO CC(C)(C)[NH2+]C/C=C/c1ccccc1 6882465 166362873 /nfs/dbraw/zinc/36/28/73/166362873.db2.gz TYGMNYUTGKBMIC-JXMROGBWSA-N 1 0 189.302 3.088 50 0 AGAARO CC(C)(C)[NH2+]CCCc1ccccc1 19737841 166364436 /nfs/dbraw/zinc/36/44/36/166364436.db2.gz LLNBGXGSKBEYEM-UHFFFAOYSA-N 1 0 191.318 3.007 50 0 AGAARO CC(C)(C)[NH2+]Cc1cccc(Cl)c1 6882573 166365060 /nfs/dbraw/zinc/36/50/60/166365060.db2.gz CGDOIYYAZQBJSM-UHFFFAOYSA-N 1 0 197.709 3.228 50 0 AGAARO CC(C)(C)[NH2+]Cc1ccc(Cl)cc1 4644870 166366110 /nfs/dbraw/zinc/36/61/10/166366110.db2.gz GICVKQRXOJHCOJ-UHFFFAOYSA-N 1 0 197.709 3.228 50 0 AGAARO CC(C)(C)[NH2+]Cc1ccccc1Cl 6882595 166366835 /nfs/dbraw/zinc/36/68/35/166366835.db2.gz MOWSOEDCFRPTSF-UHFFFAOYSA-N 1 0 197.709 3.228 50 0 AGAARO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 22147031 166376186 /nfs/dbraw/zinc/37/61/86/166376186.db2.gz LPLVWNPRESCKGE-NEPJUHHUSA-N 1 0 195.350 3.343 50 0 AGAARO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC1 22147042 166376850 /nfs/dbraw/zinc/37/68/50/166376850.db2.gz LPLVWNPRESCKGE-VXGBXAGGSA-N 1 0 195.350 3.343 50 0 AGAARO CC(C)(C)[C@H]([NH3+])CC1CCCCC1 53819237 166379027 /nfs/dbraw/zinc/37/90/27/166379027.db2.gz FEWAYFMACVGCPY-LLVKDONJSA-N 1 0 183.339 3.330 50 0 in-vitro AGAARO CC(C)(C)[C@H]([NH3+])CCC1CCCC1 42375098 166379807 /nfs/dbraw/zinc/37/98/07/166379807.db2.gz SIXICMBYCGOHLJ-LLVKDONJSA-N 1 0 183.339 3.330 50 0 in-vitro AGAARO CC(C)(C)[C@H]([NH3+])c1ccc(F)cc1F 19968913 166379871 /nfs/dbraw/zinc/37/98/71/166379871.db2.gz OJOBBVRPQDBLPE-SNVBAGLBSA-N 1 0 199.244 3.011 50 0 in-vitro AGAARO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC1 22147036 166380389 /nfs/dbraw/zinc/38/03/89/166380389.db2.gz LPLVWNPRESCKGE-RYUDHWBXSA-N 1 0 195.350 3.343 50 0 AGAARO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC1 22147046 166381966 /nfs/dbraw/zinc/38/19/66/166381966.db2.gz LPLVWNPRESCKGE-NWDGAFQWSA-N 1 0 195.350 3.343 50 0 AGAARO CC(C)(C)c1ccc(C(C)(C)[NH3+])cc1 19673387 166384613 /nfs/dbraw/zinc/38/46/13/166384613.db2.gz LVPDSISYRXTPSS-UHFFFAOYSA-N 1 0 191.318 3.178 50 0 in-vitro AGAARO CC(C)(C[NH3+])c1ccc2ccccc2c1 82531288 166396841 /nfs/dbraw/zinc/39/68/41/166396841.db2.gz QJGWIHYIGPAHKR-UHFFFAOYSA-N 1 0 199.297 3.076 50 0 AGAARO CC(C)([NH3+])CCc1cccc(Cl)c1 49811833 166402729 /nfs/dbraw/zinc/40/27/29/166402729.db2.gz IPQYGFKOWATKSA-UHFFFAOYSA-N 1 0 197.709 3.010 50 0 in-vitro AGAARO CC(C)=CC[NH+]1[C@H](C)CCC[C@H]1C 44125855 166417494 /nfs/dbraw/zinc/41/74/94/166417494.db2.gz IYXUODTYCDQUJI-VXGBXAGGSA-N 1 0 181.323 3.216 50 0 AGAARO CC(C)=C[NH+](C(C)C)C(C)C 100811616 166420165 /nfs/dbraw/zinc/42/01/65/166420165.db2.gz ZOKUNZHXGNMYHL-UHFFFAOYSA-N 1 0 155.285 3.029 50 0 AGAARO CC(C)CCC[C@@H](C)[NH2+]C(C)C 2020018 166438036 /nfs/dbraw/zinc/43/80/36/166438036.db2.gz NKGYBXHAQAKSSG-LLVKDONJSA-N 1 0 171.328 3.199 50 0 world AGAARO CC(C)CC[NH2+]C1CCC(C)CC1 19911840 166445618 /nfs/dbraw/zinc/44/56/18/166445618.db2.gz JKQSKKCOSUMZTE-UHFFFAOYSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)CC[NH2+][C@@H](C)c1cccs1 19911965 166448040 /nfs/dbraw/zinc/44/80/40/166448040.db2.gz ZMOMQXHWOYIAOQ-JTQLQIEISA-N 1 0 197.347 3.445 50 0 AGAARO CC(C)CC[NH2+][C@H](C)c1cccs1 19911967 166448242 /nfs/dbraw/zinc/44/82/42/166448242.db2.gz ZMOMQXHWOYIAOQ-SNVBAGLBSA-N 1 0 197.347 3.445 50 0 AGAARO CC(C)CC[NH2+][C@H]1CCC[C@H](C)C1 19911862 166448719 /nfs/dbraw/zinc/44/87/19/166448719.db2.gz VNBKSAJLVJHSLL-RYUDHWBXSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)C[NH+](CC(C)C)CC(C)C 2039907 166460733 /nfs/dbraw/zinc/46/07/33/166460733.db2.gz IIFFFBSAXDNJHX-UHFFFAOYSA-N 1 0 185.355 3.256 50 0 AGAARO CC(C)C[NH2+]C1[C@H](C)CCC[C@H]1C 19882963 166470614 /nfs/dbraw/zinc/47/06/14/166470614.db2.gz XXNRLLMUSKDHNH-GHMZBOCLSA-N 1 0 183.339 3.057 50 0 AGAARO CC(C)C[NH2+]C[C@@H](C)c1ccccc1 10474883 166471752 /nfs/dbraw/zinc/47/17/52/166471752.db2.gz UMQJLMNBXBCGOY-GFCCVEGCSA-N 1 0 191.318 3.036 50 0 AGAARO CC(C)C[NH2+][C@H](C)c1ccccc1F 19883065 166474921 /nfs/dbraw/zinc/47/49/21/166474921.db2.gz DELBFUKAYZWSCM-SNVBAGLBSA-N 1 0 195.281 3.132 50 0 AGAARO CC(C)C[C@@H](C)[NH2+]Cc1ccccc1 5962765 166482953 /nfs/dbraw/zinc/48/29/53/166482953.db2.gz JFQMTBSPRNVCJU-GFCCVEGCSA-N 1 0 191.318 3.211 50 0 AGAARO CC(C)[NH+](Cc1ccccc1)C(C)C 4208974 166517958 /nfs/dbraw/zinc/51/79/58/166517958.db2.gz GOTQULLXGZGQMK-UHFFFAOYSA-N 1 0 191.318 3.305 50 0 in-vitro AGAARO CC(C)[NH2+][C@@H](C)c1ccc(Cl)cc1 19880516 166545383 /nfs/dbraw/zinc/54/53/83/166545383.db2.gz HRPCFEDRCYPHEZ-VIFPVBQESA-N 1 0 197.709 3.399 50 0 AGAARO CC(C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 19880819 166546360 /nfs/dbraw/zinc/54/63/60/166546360.db2.gz PIJDDINTVHSYKA-QMMMGPOBSA-N 1 0 199.244 3.024 50 0 AGAARO CC(C)[NH2+][C@H](C)c1ccc(Cl)cc1 19880517 166547655 /nfs/dbraw/zinc/54/76/55/166547655.db2.gz HRPCFEDRCYPHEZ-SECBINFHSA-N 1 0 197.709 3.399 50 0 AGAARO CC(C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C 35439069 166548508 /nfs/dbraw/zinc/54/85/08/166548508.db2.gz CVSPPCVCFBKWLC-FRRDWIJNSA-N 1 0 197.366 3.445 50 0 AGAARO CC(C)[NH2+][C@H](C)c1ccc(F)c(F)c1 19880821 166548780 /nfs/dbraw/zinc/54/87/80/166548780.db2.gz PIJDDINTVHSYKA-MRVPVSSYSA-N 1 0 199.244 3.024 50 0 AGAARO CC(C)[NH2+][C@H](C)CCc1ccccc1 19880491 166549131 /nfs/dbraw/zinc/54/91/31/166549131.db2.gz TVRDURQSCJHQCY-GFCCVEGCSA-N 1 0 191.318 3.006 50 0 AGAARO CC(C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 19880973 166549421 /nfs/dbraw/zinc/54/94/21/166549421.db2.gz MKNPKGZWOKLMOF-GHMZBOCLSA-N 1 0 183.339 3.199 50 0 AGAARO CC(C)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C 19880429 166550323 /nfs/dbraw/zinc/55/03/23/166550323.db2.gz CVSPPCVCFBKWLC-UPJWGTAASA-N 1 0 197.366 3.445 50 0 AGAARO CC(C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 19880980 166550811 /nfs/dbraw/zinc/55/08/11/166550811.db2.gz MKNPKGZWOKLMOF-MNOVXSKESA-N 1 0 183.339 3.199 50 0 AGAARO CC(C)[NH2+][C@H]1C[C@H](C)CC[C@H]1C(C)C 19880424 166551281 /nfs/dbraw/zinc/55/12/81/166551281.db2.gz CVSPPCVCFBKWLC-AGIUHOORSA-N 1 0 197.366 3.445 50 0 AGAARO CC(C)Sc1ccc([C@@H](C)[NH3+])cc1 37492262 166565272 /nfs/dbraw/zinc/56/52/72/166565272.db2.gz LRDXHVBIGLAVCI-SECBINFHSA-N 1 0 195.331 3.207 50 0 in-vitro AGAARO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1 19878418 166570982 /nfs/dbraw/zinc/57/09/82/166570982.db2.gz ZMZIQRWISWNDFB-VXGBXAGGSA-N 1 0 191.318 3.382 50 0 AGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC1 22147436 166588076 /nfs/dbraw/zinc/58/80/76/166588076.db2.gz BIPLQSUPZWDUMA-WXHSDQCUSA-N 1 0 195.350 3.199 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1 19878416 166602446 /nfs/dbraw/zinc/60/24/46/166602446.db2.gz ZMZIQRWISWNDFB-RYUDHWBXSA-N 1 0 191.318 3.382 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 19945496 166602623 /nfs/dbraw/zinc/60/26/23/166602623.db2.gz BEBSPGROHXLRJS-SRVKXCTJSA-N 1 0 183.339 3.199 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 20306252 166604827 /nfs/dbraw/zinc/60/48/27/166604827.db2.gz OLTGEHMMQVEMTP-GRYCIOLGSA-N 1 0 183.339 3.199 50 0 AGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC1 36874383 166616232 /nfs/dbraw/zinc/61/62/32/166616232.db2.gz BIPLQSUPZWDUMA-RAIGVLPGSA-N 1 0 195.350 3.199 50 0 AGAARO CC1(C)CCc2ccccc2[C@H]([NH3+])C1 61825966 166679895 /nfs/dbraw/zinc/67/98/95/166679895.db2.gz VQQROXIKFLOQPL-GFCCVEGCSA-N 1 0 189.302 3.049 50 0 in-vitro AGAARO CC1(C)C[C@@]2(C=[NH+]CCC2)CCS1 20291360 166686639 /nfs/dbraw/zinc/68/66/39/166686639.db2.gz ODUDOSYPJVDOBK-NSHDSACASA-N 1 0 197.347 3.143 50 0 AGAARO CCC(C)(C)[NH2+]Cc1cccc(C)c1 19879728 166783288 /nfs/dbraw/zinc/78/32/88/166783288.db2.gz NMWUBDGRVKQBIS-UHFFFAOYSA-N 1 0 191.318 3.273 50 0 AGAARO CCC(C)(C)[NH2+]Cc1cccs1 13717838 166783604 /nfs/dbraw/zinc/78/36/04/166783604.db2.gz UYFSLVUGTQEPPG-UHFFFAOYSA-N 1 0 183.320 3.026 50 0 AGAARO CCC(C)(C)[NH2+]Cc1ccccc1F 13718216 166784252 /nfs/dbraw/zinc/78/42/52/166784252.db2.gz BFFPGINOZGYHPD-UHFFFAOYSA-N 1 0 195.281 3.104 50 0 AGAARO CCC(C)(C)[NH2+]Cc1ccccc1C 13718234 166784894 /nfs/dbraw/zinc/78/48/94/166784894.db2.gz GKFVTKVGQUYXFD-UHFFFAOYSA-N 1 0 191.318 3.273 50 0 AGAARO CCC(CC)[NH2+]Cc1ccc(F)cc1 19943697 166795422 /nfs/dbraw/zinc/79/54/22/166795422.db2.gz VTUGIXIEVNKFQW-UHFFFAOYSA-N 1 0 195.281 3.104 50 0 AGAARO CCC(CC)[NH2+]Cc1ccccc1C 19883740 166795572 /nfs/dbraw/zinc/79/55/72/166795572.db2.gz MRYAMHBSRYQREW-UHFFFAOYSA-N 1 0 191.318 3.273 50 0 AGAARO CCC(CC)[NH2+]CCc1ccccc1 19091344 166795931 /nfs/dbraw/zinc/79/59/31/166795931.db2.gz ODDCELUOAPMLAA-UHFFFAOYSA-N 1 0 191.318 3.007 50 0 in-vitro AGAARO CCC1CCC([NH2+]C2CCCC2)CC1 19883334 166812201 /nfs/dbraw/zinc/81/22/01/166812201.db2.gz DGYXAQUOAGSQKI-UHFFFAOYSA-N 1 0 195.350 3.487 50 0 AGAARO CCC1CCC([NH2+]CC(C)C)CC1 19882943 166814314 /nfs/dbraw/zinc/81/43/14/166814314.db2.gz DCOVQMLGBCJHNG-UHFFFAOYSA-N 1 0 183.339 3.201 50 0 AGAARO CCCCCC([NH3+])CCCCC 2563298 166848288 /nfs/dbraw/zinc/84/82/88/166848288.db2.gz GFBRYGJZWXLRFR-UHFFFAOYSA-N 1 0 171.328 3.474 50 0 in-vitro AGAARO CCCCCC[NH2+]C1CCCC1 19738128 166852864 /nfs/dbraw/zinc/85/28/64/166852864.db2.gz LKFYDKLTDCPTTJ-UHFFFAOYSA-N 1 0 169.312 3.099 50 0 AGAARO CCCCCC[NH+]1CCC(C)CC1 2171750 166853585 /nfs/dbraw/zinc/85/35/85/166853585.db2.gz JFTNESUGLJGDJP-UHFFFAOYSA-N 1 0 183.339 3.299 50 0 AGAARO CCCCCC[C@@H]1CCCCC[NH2+]1 3734875 166857462 /nfs/dbraw/zinc/85/74/62/166857462.db2.gz HYDFJTYHEKAYBT-GFCCVEGCSA-N 1 0 183.339 3.489 50 0 in-vitro AGAARO CCCCC[NH2+]C1CCC(C)CC1 19901247 166863194 /nfs/dbraw/zinc/86/31/94/166863194.db2.gz WLTRIXHAPIZGCV-UHFFFAOYSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+]CCc1ccccc1 10474820 166865583 /nfs/dbraw/zinc/86/55/83/166865583.db2.gz QHFQOMTWWHDQPQ-UHFFFAOYSA-N 1 0 191.318 3.009 50 0 AGAARO CCCCC[NH2+][C@H]1CCC[C@@H](C)C1 7261394 166865722 /nfs/dbraw/zinc/86/57/22/166865722.db2.gz MKQYLHQDVAUFIW-NEPJUHHUSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+][C@H]1CCC[C@H](C)C1 7261393 166865862 /nfs/dbraw/zinc/86/58/62/166865862.db2.gz MKQYLHQDVAUFIW-RYUDHWBXSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+][C@@H]1CCCC[C@H]1C 7261373 166866374 /nfs/dbraw/zinc/86/63/74/166866374.db2.gz MYAYMPPVDZMHOS-VXGBXAGGSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+]Cc1cccc(F)c1 5973233 166867157 /nfs/dbraw/zinc/86/71/57/166867157.db2.gz BNRDILKFRANWCB-UHFFFAOYSA-N 1 0 195.281 3.106 50 0 AGAARO CCCCC[NH2+][C@H](C)[C@H](C)CC 20086780 166867168 /nfs/dbraw/zinc/86/71/68/166867168.db2.gz VXADXJROTWOOIV-GHMZBOCLSA-N 1 0 171.328 3.201 50 0 AGAARO CCCC[NH2+]Cc1ccc(C)cc1C 19906902 166897897 /nfs/dbraw/zinc/89/78/97/166897897.db2.gz CYCFOGYLGYAGTQ-UHFFFAOYSA-N 1 0 191.318 3.193 50 0 AGAARO CCCC[NH2+]CCCc1ccccc1 5309261 166898628 /nfs/dbraw/zinc/89/86/28/166898628.db2.gz JNRPTMQCWKGUSZ-UHFFFAOYSA-N 1 0 191.318 3.009 50 0 AGAARO CCCC[NH2+]Cc1ccc(C)c(F)c1 37855536 166899451 /nfs/dbraw/zinc/89/94/51/166899451.db2.gz UKLTWYVBRJUEDU-UHFFFAOYSA-N 1 0 195.281 3.024 50 0 AGAARO CCCC[NH2+][C@H](C)Cc1ccccc1 1656355 166899994 /nfs/dbraw/zinc/89/99/94/166899994.db2.gz VIAVBPFRYASSKF-GFCCVEGCSA-N 1 0 191.318 3.007 50 0 AGAARO CCCC[NH2+]Cc1ccc(Cl)cc1 1905343 166900157 /nfs/dbraw/zinc/90/01/57/166900157.db2.gz GGXSMTDUGAXVLL-UHFFFAOYSA-N 1 0 197.709 3.230 50 0 AGAARO CCCC[NH2+][C@H](C)C1CCCCC1 37197957 166901589 /nfs/dbraw/zinc/90/15/89/166901589.db2.gz QZPGYUBPGMWJQX-LLVKDONJSA-N 1 0 183.339 3.345 50 0 AGAARO CCCC[NH2+][C@H](C)c1ccc(F)cc1 19907002 166901711 /nfs/dbraw/zinc/90/17/11/166901711.db2.gz GLLGGCPKMYWLCL-SNVBAGLBSA-N 1 0 195.281 3.276 50 0 AGAARO CCCC[NH2+][C@@H]1CCc2ccccc21 19907015 166901733 /nfs/dbraw/zinc/90/17/33/166901733.db2.gz GCIIQHJDAYRIHA-CYBMUJFWSA-N 1 0 189.302 3.064 50 0 AGAARO CCCC[C@@H](CC)CCC[NH2+]C 52948980 166915678 /nfs/dbraw/zinc/91/56/78/166915678.db2.gz NNFOFJTWZPEMHP-LLVKDONJSA-N 1 0 171.328 3.202 50 0 AGAARO CCCC[C@@H]([NH3+])c1sccc1C 44415614 166919450 /nfs/dbraw/zinc/91/94/50/166919450.db2.gz PPARHWUSNNVFDT-SECBINFHSA-N 1 0 183.320 3.247 50 0 AGAARO CCCC[C@H](CC)C[C@@H]1CC[NH2+]C1 42784162 166923862 /nfs/dbraw/zinc/92/38/62/166923862.db2.gz PHZDGGKMKGOWTA-RYUDHWBXSA-N 1 0 183.339 3.202 50 0 AGAARO CCCC[C@H]([NH3+])c1sccc1C 44415613 166925805 /nfs/dbraw/zinc/92/58/05/166925805.db2.gz PPARHWUSNNVFDT-VIFPVBQESA-N 1 0 183.320 3.247 50 0 AGAARO CCC[NH2+]Cc1cccc2ccccc12 17744297 166989779 /nfs/dbraw/zinc/98/97/79/166989779.db2.gz OAWDITXABOUZMW-UHFFFAOYSA-N 1 0 199.297 3.339 50 0 AGAARO CCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 37746240 166994209 /nfs/dbraw/zinc/99/42/09/166994209.db2.gz NEFHBSZPKVLTSD-LBPRGKRZSA-N 1 0 191.318 3.364 50 0 AGAARO CCC[NH2+][C@@H](CC)c1ccc(C)cc1 19807418 166994249 /nfs/dbraw/zinc/99/42/49/166994249.db2.gz NZCKLJJWECAEQK-ZDUSSCGKSA-N 1 0 191.318 3.446 50 0 AGAARO CCC[NH2+][C@@H](C)c1cc(F)ccc1F 19505206 166994745 /nfs/dbraw/zinc/99/47/45/166994745.db2.gz LBIGIIPELINLEI-QMMMGPOBSA-N 1 0 199.244 3.025 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccc(C)s1 19477894 166995234 /nfs/dbraw/zinc/99/52/34/166995234.db2.gz YBRYEUBTMNEAIG-VIFPVBQESA-N 1 0 183.320 3.117 50 0 AGAARO CCC[NH2+][C@@H](C)c1sccc1C 42730209 166995456 /nfs/dbraw/zinc/99/54/56/166995456.db2.gz CTXSJDCGZOPVBO-VIFPVBQESA-N 1 0 183.320 3.117 50 0 AGAARO CCC[NH2+][C@@H](CC)c1ccccc1F 52898048 166996080 /nfs/dbraw/zinc/99/60/80/166996080.db2.gz DCKGWZQNLYXFAP-LBPRGKRZSA-N 1 0 195.281 3.276 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 19507233 166996264 /nfs/dbraw/zinc/99/62/64/166996264.db2.gz ZUXOHAMJJDWKIJ-QMMMGPOBSA-N 1 0 199.244 3.025 50 0 AGAARO CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 19807430 166998617 /nfs/dbraw/zinc/99/86/17/166998617.db2.gz WWDACLZAEKMYJW-GHMZBOCLSA-N 1 0 183.339 3.201 50 0 AGAARO CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 19507235 166999720 /nfs/dbraw/zinc/99/97/20/166999720.db2.gz ZUXOHAMJJDWKIJ-MRVPVSSYSA-N 1 0 199.244 3.025 50 0 AGAARO CCC[NH2+][C@H](C)c1cc(F)ccc1F 19505207 167000007 /nfs/dbraw/zinc/00/00/07/167000007.db2.gz LBIGIIPELINLEI-MRVPVSSYSA-N 1 0 199.244 3.025 50 0 AGAARO CCC[NH2+][C@H](C)c1cc(C)cc(C)c1 37746241 167000242 /nfs/dbraw/zinc/00/02/42/167000242.db2.gz NEFHBSZPKVLTSD-GFCCVEGCSA-N 1 0 191.318 3.364 50 0 AGAARO CCC[NH2+][C@H](C)c1ccccc1Cl 19807382 167000253 /nfs/dbraw/zinc/00/02/53/167000253.db2.gz YSKIAPOYZNYIMV-SECBINFHSA-N 1 0 197.709 3.401 50 0 AGAARO CCC[NH2+][C@H](C)c1ccc(F)cc1F 19427647 167000527 /nfs/dbraw/zinc/00/05/27/167000527.db2.gz STCGTMRTQOIRBW-MRVPVSSYSA-N 1 0 199.244 3.025 50 0 AGAARO CCC[NH2+][C@H](CC)c1ccccc1F 52898050 167000556 /nfs/dbraw/zinc/00/05/56/167000556.db2.gz DCKGWZQNLYXFAP-GFCCVEGCSA-N 1 0 195.281 3.276 50 0 AGAARO CCC[NH2+][C@H](C)c1ccc(C)cc1C 19807411 167000608 /nfs/dbraw/zinc/00/06/08/167000608.db2.gz FHDRPYFTGKMISN-GFCCVEGCSA-N 1 0 191.318 3.364 50 0 AGAARO CCC[NH2+][C@H](C)c1ccc(C)s1 19477896 167000753 /nfs/dbraw/zinc/00/07/53/167000753.db2.gz YBRYEUBTMNEAIG-SECBINFHSA-N 1 0 183.320 3.117 50 0 AGAARO CCC[NH2+][C@H](CC)c1ccc(C)cc1 19807419 167000856 /nfs/dbraw/zinc/00/08/56/167000856.db2.gz NZCKLJJWECAEQK-CYBMUJFWSA-N 1 0 191.318 3.446 50 0 AGAARO CCC[NH2+][C@H](CC)c1ccccc1 19504443 167001073 /nfs/dbraw/zinc/00/10/73/167001073.db2.gz RETZQHBNHAXSEH-GFCCVEGCSA-N 1 0 177.291 3.137 50 0 in-vitro AGAARO CCC[NH2+][C@H](C)c1cccc(Cl)c1 19807429 167001103 /nfs/dbraw/zinc/00/11/03/167001103.db2.gz CNJIXGBJEBBEOJ-SECBINFHSA-N 1 0 197.709 3.401 50 0 AGAARO CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 19807436 167001107 /nfs/dbraw/zinc/00/11/07/167001107.db2.gz BWCFEBAFUXQTER-GFCCVEGCSA-N 1 0 191.318 3.364 50 0 AGAARO CCC[NH2+][C@H](C)c1ccccc1C 19505081 167001123 /nfs/dbraw/zinc/00/11/23/167001123.db2.gz UQBHXDVSTUBYAJ-LLVKDONJSA-N 1 0 177.291 3.056 50 0 AGAARO CCC[NH2+][C@H](C)c1ccc(Cl)cc1 19807380 167001372 /nfs/dbraw/zinc/00/13/72/167001372.db2.gz RNVHSKIDXUZHBA-SECBINFHSA-N 1 0 197.709 3.401 50 0 AGAARO CCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 19807433 167002009 /nfs/dbraw/zinc/00/20/09/167002009.db2.gz WWDACLZAEKMYJW-QWRGUYRKSA-N 1 0 183.339 3.201 50 0 AGAARO CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 19807431 167002349 /nfs/dbraw/zinc/00/23/49/167002349.db2.gz WWDACLZAEKMYJW-MNOVXSKESA-N 1 0 183.339 3.201 50 0 AGAARO CCC[NH2+][C@H]1CCCc2ccccc21 19809460 167002656 /nfs/dbraw/zinc/00/26/56/167002656.db2.gz ZCMVISDWWMVJDW-ZDUSSCGKSA-N 1 0 189.302 3.064 50 0 AGAARO CCC[NH2+][C@H](c1ccccc1)C(C)C 34115959 167003385 /nfs/dbraw/zinc/00/33/85/167003385.db2.gz IRFAYWANRDSOEU-ZDUSSCGKSA-N 1 0 191.318 3.383 50 0 AGAARO CCC[C@@H](C)C[NH2+]Cc1cccs1 20139564 167029006 /nfs/dbraw/zinc/02/90/06/167029006.db2.gz GSSLLTZQHJDCIL-SNVBAGLBSA-N 1 0 197.347 3.274 50 0 AGAARO CCC[C@@H](C)[NH2+]CC1CCCCC1 19091329 167035074 /nfs/dbraw/zinc/03/50/74/167035074.db2.gz XAWBTJCUUJDQQH-LLVKDONJSA-N 1 0 183.339 3.345 50 0 AGAARO CCC[C@@H](C)[NH2+]CCc1cccs1 19949471 167035808 /nfs/dbraw/zinc/03/58/08/167035808.db2.gz PQYPWCKRBVIJLH-SNVBAGLBSA-N 1 0 197.347 3.069 50 0 AGAARO CCC[C@@H]([NH2+]C1CC1)c1ccccc1 19506065 167046234 /nfs/dbraw/zinc/04/62/34/167046234.db2.gz BAGCRHNFMXYNTR-CYBMUJFWSA-N 1 0 189.302 3.280 50 0 AGAARO CCC[C@@H]([NH3+])c1cc(C)sc1C 26516136 167046330 /nfs/dbraw/zinc/04/63/30/167046330.db2.gz KZZFQFIUEIIIQY-SNVBAGLBSA-N 1 0 183.320 3.165 50 0 AGAARO CCC[C@@H]([NH3+])c1ccc(Cl)cc1 19421303 167049094 /nfs/dbraw/zinc/04/90/94/167049094.db2.gz PLUVSGOQNUXJGX-SNVBAGLBSA-N 1 0 183.682 3.140 50 0 in-vitro AGAARO CCC[C@@H]1CCC[C@@H](CCC)[NH2+]1 4955771 167054490 /nfs/dbraw/zinc/05/44/90/167054490.db2.gz QCLNURWGDDEBFA-GHMZBOCLSA-N 1 0 169.312 3.097 50 0 AGAARO CCC[C@H](C)C[NH2+]Cc1cccs1 20139565 167064314 /nfs/dbraw/zinc/06/43/14/167064314.db2.gz GSSLLTZQHJDCIL-JTQLQIEISA-N 1 0 197.347 3.274 50 0 AGAARO CCC[C@H](C)[NH2+]CC1CCCCC1 19091332 167070597 /nfs/dbraw/zinc/07/05/97/167070597.db2.gz XAWBTJCUUJDQQH-NSHDSACASA-N 1 0 183.339 3.345 50 0 AGAARO CCC[C@H](C)[NH2+]CCc1cccs1 19949474 167070603 /nfs/dbraw/zinc/07/06/03/167070603.db2.gz PQYPWCKRBVIJLH-JTQLQIEISA-N 1 0 197.347 3.069 50 0 AGAARO CCC[C@H]([NH3+])c1cc(C)sc1C 26516138 167082210 /nfs/dbraw/zinc/08/22/10/167082210.db2.gz KZZFQFIUEIIIQY-JTQLQIEISA-N 1 0 183.320 3.165 50 0 AGAARO CCC[C@H]([NH3+])c1ccc(Cl)cc1 19421305 167083076 /nfs/dbraw/zinc/08/30/76/167083076.db2.gz PLUVSGOQNUXJGX-JTQLQIEISA-N 1 0 183.682 3.140 50 0 in-vitro AGAARO CCC[C@H]([NH2+]C1CC1)c1ccccc1 19506067 167086719 /nfs/dbraw/zinc/08/67/19/167086719.db2.gz BAGCRHNFMXYNTR-ZDUSSCGKSA-N 1 0 189.302 3.280 50 0 AGAARO CCC[C@H]1CCC[C@H](CCC)[NH2+]1 4955769 167088469 /nfs/dbraw/zinc/08/84/69/167088469.db2.gz QCLNURWGDDEBFA-QWRGUYRKSA-N 1 0 169.312 3.097 50 0 AGAARO CCC[C@H]1CCC[C@@H](CCC)[NH2+]1 4955767 167089163 /nfs/dbraw/zinc/08/91/63/167089163.db2.gz QCLNURWGDDEBFA-PHIMTYICSA-N 1 0 169.312 3.097 50 0 AGAARO CCCc1ccc([C@@H]([NH3+])C(C)C)cc1 4207199 167102242 /nfs/dbraw/zinc/10/22/42/167102242.db2.gz DRTBCQLCEWEVLT-ZDUSSCGKSA-N 1 0 191.318 3.295 50 0 in-vitro AGAARO CCCc1ccc([C@H]([NH3+])C(C)C)cc1 4207198 167103757 /nfs/dbraw/zinc/10/37/57/167103757.db2.gz DRTBCQLCEWEVLT-CYBMUJFWSA-N 1 0 191.318 3.295 50 0 in-vitro AGAARO CC[NH+](CC)C/C=C/c1ccccc1 4689000 167163214 /nfs/dbraw/zinc/16/32/14/167163214.db2.gz PPMXDDJEXJDFMT-DHZHZOJOSA-N 1 0 189.302 3.042 50 0 AGAARO CC[NH+](CC)Cc1ccc(Cl)cc1 6382510 167169889 /nfs/dbraw/zinc/16/98/89/167169889.db2.gz WKFMVKAHXXSPJC-UHFFFAOYSA-N 1 0 197.709 3.182 50 0 AGAARO CCN(CC)c1ccc([N+]#N)c(C)c1 4707483 167175183 /nfs/dbraw/zinc/17/51/83/167175183.db2.gz WNOOXEGVVSEFOS-UHFFFAOYSA-N 1 0 190.270 3.326 50 0 AGAARO CCN(CC)c1ccc([N+]#N)cc1 4707482 167176669 /nfs/dbraw/zinc/17/66/69/167176669.db2.gz RGCITEKHKXPDDH-UHFFFAOYSA-N 1 0 176.243 3.017 50 0 AGAARO CC[NH2+]Cc1cc2ccccc2s1 4298824 167275597 /nfs/dbraw/zinc/27/55/97/167275597.db2.gz QCAMOJBUCDIESQ-UHFFFAOYSA-N 1 0 191.299 3.011 50 0 AGAARO CC[NH2+][C@@H](C)c1cc2ccccc2o1 19516435 167285545 /nfs/dbraw/zinc/28/55/45/167285545.db2.gz XLCDXJDKWGOIPA-VIFPVBQESA-N 1 0 189.258 3.103 50 0 in-vitro AGAARO CC[NH2+][C@@H](CC)c1ccc(C)cc1 19802232 167288689 /nfs/dbraw/zinc/28/86/89/167288689.db2.gz GPQNRBJEJPCEAT-LBPRGKRZSA-N 1 0 177.291 3.056 50 0 in-vitro AGAARO CC[NH2+][C@H](C)c1cc2ccccc2o1 19516437 167295445 /nfs/dbraw/zinc/29/54/45/167295445.db2.gz XLCDXJDKWGOIPA-SECBINFHSA-N 1 0 189.258 3.103 50 0 in-vitro AGAARO CC[NH2+][C@H](CC)c1ccc(C)cc1 19802235 167298499 /nfs/dbraw/zinc/29/84/99/167298499.db2.gz GPQNRBJEJPCEAT-GFCCVEGCSA-N 1 0 177.291 3.056 50 0 in-vitro AGAARO CC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 20085316 167453139 /nfs/dbraw/zinc/45/31/39/167453139.db2.gz VOWTWTNWYPEPNV-NEPJUHHUSA-N 1 0 191.318 3.383 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 8326011 167474952 /nfs/dbraw/zinc/47/49/52/167474952.db2.gz PUOXRXNYHSXDSP-SECBINFHSA-N 1 0 197.709 3.228 50 0 in-vitro AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1 2027683 167475123 /nfs/dbraw/zinc/47/51/23/167475123.db2.gz PXWVXIBJJNDWLW-MNOVXSKESA-N 1 0 177.291 3.136 50 0 AGAARO CC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 19882771 167475265 /nfs/dbraw/zinc/47/52/65/167475265.db2.gz JRAIXXDRASKUJU-NXEZZACHSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1C 19882504 167476078 /nfs/dbraw/zinc/47/60/78/167476078.db2.gz RIERGJCKGMBCCB-VXGBXAGGSA-N 1 0 191.318 3.444 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 5907276 167476733 /nfs/dbraw/zinc/47/67/33/167476733.db2.gz DZPDICODYXMPSW-SECBINFHSA-N 1 0 197.709 3.228 50 0 AGAARO CC[C@@H](C)[NH2+][C@H](C)C1CCCCC1 37186535 167477169 /nfs/dbraw/zinc/47/71/69/167477169.db2.gz HXQSJDWEPJZLCU-GHMZBOCLSA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1 20086607 167484496 /nfs/dbraw/zinc/48/44/96/167484496.db2.gz QVYAZIIADKRQGY-VXGBXAGGSA-N 1 0 191.318 3.211 50 0 AGAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1 20086611 167492157 /nfs/dbraw/zinc/49/21/57/167492157.db2.gz QVYAZIIADKRQGY-NEPJUHHUSA-N 1 0 191.318 3.211 50 0 AGAARO CC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 4298910 167526500 /nfs/dbraw/zinc/52/65/00/167526500.db2.gz BMEFZEYKCJPZCH-GFCCVEGCSA-N 1 0 191.318 3.394 50 0 AGAARO CC[C@@H]([NH2+]C1CC1)c1ccc(F)cc1 21954305 167531100 /nfs/dbraw/zinc/53/11/00/167531100.db2.gz WGOJCVHVOBAZCS-GFCCVEGCSA-N 1 0 193.265 3.029 50 0 AGAARO CC[C@@H]([NH2+]Cc1cccs1)C(C)C 37231963 167531452 /nfs/dbraw/zinc/53/14/52/167531452.db2.gz VJGBAQPYMGSAPA-LLVKDONJSA-N 1 0 197.347 3.272 50 0 AGAARO CC[C@@H]([NH2+]CC(C)C)c1ccccc1 19883009 167531939 /nfs/dbraw/zinc/53/19/39/167531939.db2.gz CHKAGFZILMAFOC-CYBMUJFWSA-N 1 0 191.318 3.383 50 0 AGAARO CC[C@H](C)C[NH2+]Cc1cccc(C)c1 20134461 167602001 /nfs/dbraw/zinc/60/20/01/167602001.db2.gz OWRUVOBYZXRZON-NSHDSACASA-N 1 0 191.318 3.131 50 0 AGAARO CC[C@H](C)[NH2+]Cc1ccc(C)cc1C 19881805 167615145 /nfs/dbraw/zinc/61/51/45/167615145.db2.gz FDYLGQLTLRTMSN-LBPRGKRZSA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@H](C)[NH2+]Cc1cc(C)ccc1C 35843783 167617356 /nfs/dbraw/zinc/61/73/56/167617356.db2.gz UOPQKOGFEHHUSX-LBPRGKRZSA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1 2027684 167617868 /nfs/dbraw/zinc/61/78/68/167617868.db2.gz PXWVXIBJJNDWLW-QWRGUYRKSA-N 1 0 177.291 3.136 50 0 AGAARO CC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 19882266 167619458 /nfs/dbraw/zinc/61/94/58/167619458.db2.gz AGRBDBHPYXNIKV-GXFFZTMASA-N 1 0 189.302 3.062 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)C1CCCCC1 37186534 167619860 /nfs/dbraw/zinc/61/98/60/167619860.db2.gz HXQSJDWEPJZLCU-QWRGUYRKSA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@H](C)[C@H](C)[NH2+]CCC(C)C 20088731 167627520 /nfs/dbraw/zinc/62/75/20/167627520.db2.gz RKNMFPKTFWSURB-QWRGUYRKSA-N 1 0 171.328 3.057 50 0 AGAARO CC[C@H](C)[C@H](C)[NH2+]Cc1cccs1 20139605 167629008 /nfs/dbraw/zinc/62/90/08/167629008.db2.gz GEEVXMUBNLQHLD-UWVGGRQHSA-N 1 0 197.347 3.272 50 0 AGAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1 20086613 167629491 /nfs/dbraw/zinc/62/94/91/167629491.db2.gz QVYAZIIADKRQGY-RYUDHWBXSA-N 1 0 191.318 3.211 50 0 AGAARO CC[C@H](C)c1ccc([C@@H](C)[NH3+])cc1 2732097 167634190 /nfs/dbraw/zinc/63/41/90/167634190.db2.gz RNODDJQLVDOMIX-VHSXEESVSA-N 1 0 177.291 3.220 50 0 AGAARO CC[C@H]([NH3+])c1ccc2ccccc2c1 55346003 167660012 /nfs/dbraw/zinc/66/00/12/167660012.db2.gz IAXXIFPEUHKYRY-ZDUSSCGKSA-N 1 0 185.270 3.250 50 0 AGAARO CC[C@H]([NH3+])c1cccc2ccccc12 34411891 167661188 /nfs/dbraw/zinc/66/11/88/167661188.db2.gz JJYPGFPZTOUPHN-ZDUSSCGKSA-N 1 0 185.270 3.250 50 0 AGAARO CC[C@H]([NH2+]C(C)C)c1ccccc1 19880508 167662829 /nfs/dbraw/zinc/66/28/29/167662829.db2.gz UIRHNVZMIFRCLF-LBPRGKRZSA-N 1 0 177.291 3.136 50 0 in-vitro AGAARO CC[C@H]([NH2+]C1CC1)c1ccc(F)cc1 21954308 167662942 /nfs/dbraw/zinc/66/29/42/167662942.db2.gz WGOJCVHVOBAZCS-LBPRGKRZSA-N 1 0 193.265 3.029 50 0 AGAARO CC[C@]1(C)Cc2ccccc2C(C)=[NH+]1 4834628 167711531 /nfs/dbraw/zinc/71/15/31/167711531.db2.gz WCZULFIGZWKRAE-CYBMUJFWSA-N 1 0 187.286 3.220 50 0 AGAARO C[NH2+]Cc1ccc(-c2ccccc2)cc1 8377392 168015968 /nfs/dbraw/zinc/01/59/68/168015968.db2.gz GZUHCAWQWUONPS-UHFFFAOYSA-N 1 0 197.281 3.073 50 0 AGAARO C[NH2+]Cc1cccc(-c2ccccc2)c1 38051775 168017737 /nfs/dbraw/zinc/01/77/37/168017737.db2.gz XUQBOMSXNIPDLM-UHFFFAOYSA-N 1 0 197.281 3.073 50 0 in-vitro AGAARO C[NH2+]Cc1ccccc1-c1ccccc1 12359699 168020522 /nfs/dbraw/zinc/02/05/22/168020522.db2.gz FXXBKXHFEBSUHS-UHFFFAOYSA-N 1 0 197.281 3.073 50 0 in-vitro AGAARO C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 72266609 168032740 /nfs/dbraw/zinc/03/27/40/168032740.db2.gz VKHYOQBLPNDMEW-BDAKNGLRSA-N 1 0 197.709 3.051 50 0 in-vitro AGAARO C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 21960464 168033911 /nfs/dbraw/zinc/03/39/11/168033911.db2.gz RPPIZVWRNHDAHT-NSHDSACASA-N 1 0 191.318 3.166 50 0 AGAARO C[NH2+][C@@H](C)c1cccc2ccccc12 2508328 168033945 /nfs/dbraw/zinc/03/39/45/168033945.db2.gz YYETYHLXPGYQPZ-JTQLQIEISA-N 1 0 185.270 3.120 50 0 in-vitro AGAARO C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 72266610 168034432 /nfs/dbraw/zinc/03/44/32/168034432.db2.gz VKHYOQBLPNDMEW-IUCAKERBSA-N 1 0 197.709 3.051 50 0 in-vitro AGAARO C[NH2+][C@@H](C)c1ccc2ccccc2c1 22141185 168035767 /nfs/dbraw/zinc/03/57/67/168035767.db2.gz VRPIUODNLOVPNH-JTQLQIEISA-N 1 0 185.270 3.120 50 0 in-vitro AGAARO C[NH2+][C@@H](CCC(C)C)c1ccccc1 11757532 168036366 /nfs/dbraw/zinc/03/63/66/168036366.db2.gz LZKWDXWGOKBCQI-ZDUSSCGKSA-N 1 0 191.318 3.383 50 0 in-vitro AGAARO C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 35117221 168038306 /nfs/dbraw/zinc/03/83/06/168038306.db2.gz ZPZKIRQORLADPV-LLVKDONJSA-N 1 0 195.693 3.011 50 0 in-vitro AGAARO C[NH2+][C@@H](c1ccccc1Cl)C(C)C 38078586 168039349 /nfs/dbraw/zinc/03/93/49/168039349.db2.gz MXYPWJQFOPTFPV-LLVKDONJSA-N 1 0 197.709 3.257 50 0 in-vitro AGAARO C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C 35464149 168039373 /nfs/dbraw/zinc/03/93/73/168039373.db2.gz KXXFQVGLKDXISC-LLVKDONJSA-N 1 0 197.709 3.257 50 0 AGAARO C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 72266608 168049970 /nfs/dbraw/zinc/04/99/70/168049970.db2.gz VKHYOQBLPNDMEW-DTWKUNHWSA-N 1 0 197.709 3.051 50 0 in-vitro AGAARO C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 72266607 168050448 /nfs/dbraw/zinc/05/04/48/168050448.db2.gz VKHYOQBLPNDMEW-RKDXNWHRSA-N 1 0 197.709 3.051 50 0 in-vitro AGAARO C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 21960469 168051761 /nfs/dbraw/zinc/05/17/61/168051761.db2.gz RPPIZVWRNHDAHT-LLVKDONJSA-N 1 0 191.318 3.166 50 0 AGAARO C[NH2+][C@H](C)c1cccc2ccccc12 2508327 168052043 /nfs/dbraw/zinc/05/20/43/168052043.db2.gz YYETYHLXPGYQPZ-SNVBAGLBSA-N 1 0 185.270 3.120 50 0 in-vitro AGAARO C[NH2+][C@H](C)c1ccc2ccccc2c1 22141188 168052649 /nfs/dbraw/zinc/05/26/49/168052649.db2.gz VRPIUODNLOVPNH-SNVBAGLBSA-N 1 0 185.270 3.120 50 0 in-vitro AGAARO C[NH2+][C@H](CCC(C)C)c1ccccc1 11757533 168054016 /nfs/dbraw/zinc/05/40/16/168054016.db2.gz LZKWDXWGOKBCQI-CYBMUJFWSA-N 1 0 191.318 3.383 50 0 in-vitro AGAARO C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 35014552 168055010 /nfs/dbraw/zinc/05/50/10/168055010.db2.gz ZCJLHKBUYNPWLZ-OLZOCXBDSA-N 1 0 195.350 3.345 50 0 AGAARO C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C 35464146 168055644 /nfs/dbraw/zinc/05/56/44/168055644.db2.gz KXXFQVGLKDXISC-NSHDSACASA-N 1 0 197.709 3.257 50 0 AGAARO C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 35117223 168055744 /nfs/dbraw/zinc/05/57/44/168055744.db2.gz ZPZKIRQORLADPV-NSHDSACASA-N 1 0 195.693 3.011 50 0 in-vitro AGAARO C[NH2+][C@H](c1ccccc1Cl)C(C)C 38078585 168055766 /nfs/dbraw/zinc/05/57/66/168055766.db2.gz MXYPWJQFOPTFPV-NSHDSACASA-N 1 0 197.709 3.257 50 0 in-vitro AGAARO C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 35014556 168057941 /nfs/dbraw/zinc/05/79/41/168057941.db2.gz ZCJLHKBUYNPWLZ-STQMWFEESA-N 1 0 195.350 3.345 50 0 AGAARO C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 35014554 168041696 /nfs/dbraw/zinc/04/16/96/168041696.db2.gz ZCJLHKBUYNPWLZ-QWHCGFSZSA-N 1 0 195.350 3.345 50 0 AGAARO C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 35014550 168041722 /nfs/dbraw/zinc/04/17/22/168041722.db2.gz ZCJLHKBUYNPWLZ-CHWSQXEVSA-N 1 0 195.350 3.345 50 0 AGAARO CSC(=[NH2+])Nc1c(C)cccc1C 4984189 168297782 /nfs/dbraw/zinc/29/77/82/168297782.db2.gz QKBCIDGDSBVTQG-UHFFFAOYSA-N 1 0 194.303 3.013 50 0 AGAARO C[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 19726057 168344981 /nfs/dbraw/zinc/34/49/81/168344981.db2.gz JRTKZRUOKWPZDA-JTQLQIEISA-N 1 0 191.318 3.046 50 0 AGAARO C[C@@H]([NH3+])c1c(Cl)cccc1Cl 71260701 168368297 /nfs/dbraw/zinc/36/82/97/168368297.db2.gz NRWOZHOHRZOVDA-RXMQYKEDSA-N 1 0 190.073 3.013 50 0 AGAARO C[C@@H]([NH3+])c1cc(Cl)sc1Cl 3705338 168369414 /nfs/dbraw/zinc/36/94/14/168369414.db2.gz XQQBGSGXYCGPND-GSVOUGTGSA-N 1 0 196.102 3.075 50 0 AGAARO C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 82530298 168369659 /nfs/dbraw/zinc/36/96/59/168369659.db2.gz DYNJVRIGZRAWQN-RXMQYKEDSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 295697 168369885 /nfs/dbraw/zinc/36/98/85/168369885.db2.gz UJUFOUVXOUYYRG-RXMQYKEDSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 3394037 168369981 /nfs/dbraw/zinc/36/99/81/168369981.db2.gz QVLZRPPCCDKMPO-LLVKDONJSA-N 1 0 197.281 3.373 50 0 AGAARO C[C@@H]([NH3+])c1cccc(-c2ccccc2)c1 28224889 168370078 /nfs/dbraw/zinc/37/00/78/168370078.db2.gz CHKUZHZWJGZNBC-LLVKDONJSA-N 1 0 197.281 3.373 50 0 AGAARO C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 2559440 168370113 /nfs/dbraw/zinc/37/01/13/168370113.db2.gz HZUDLUBTTHIVTP-SECBINFHSA-N 1 0 177.291 3.004 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1cccc(Cl)c1Cl 2516060 168370240 /nfs/dbraw/zinc/37/02/40/168370240.db2.gz CZJMQTZQSNUDNV-RXMQYKEDSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1cc(Cl)ccc1Cl 3705307 168370387 /nfs/dbraw/zinc/37/03/87/168370387.db2.gz IVVIPUWVXFLYSU-RXMQYKEDSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1cc2cc(Cl)ccc2o1 3705347 168370613 /nfs/dbraw/zinc/37/06/13/168370613.db2.gz IMSCAUVOIHGEFA-ZCFIWIBFSA-N 1 0 195.649 3.106 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1cccc(C(C)(C)C)c1 86005672 168370784 /nfs/dbraw/zinc/37/07/84/168370784.db2.gz JAUXBJVPSMUQRD-SECBINFHSA-N 1 0 177.291 3.004 50 0 AGAARO C[C@@H]([NH3+])c1ccc(Cl)cc1Cl 3378501 168370838 /nfs/dbraw/zinc/37/08/38/168370838.db2.gz OUVZHZAOWDHBOU-RXMQYKEDSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@@H]([NH3+])c1ccccc1-c1ccccc1 38070618 168372871 /nfs/dbraw/zinc/37/28/71/168372871.db2.gz WPRJUUUGBBRPCJ-LLVKDONJSA-N 1 0 197.281 3.373 50 0 in-vitro AGAARO C[C@@H]([NH2+]C1CCCC1)c1cccs1 19883446 168378425 /nfs/dbraw/zinc/37/84/25/168378425.db2.gz CYWQAZULKSEVIG-SECBINFHSA-N 1 0 195.331 3.341 50 0 AGAARO C[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1 19259108 168378429 /nfs/dbraw/zinc/37/84/29/168378429.db2.gz FOACGCBCJXZXRW-MRVPVSSYSA-N 1 0 195.693 3.153 50 0 AGAARO C[C@@H]([NH2+]C1CCCC1)C1CCCCC1 37186859 168379184 /nfs/dbraw/zinc/37/91/84/168379184.db2.gz XPQSHOZHJYFJKA-LLVKDONJSA-N 1 0 195.350 3.487 50 0 AGAARO C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 22168674 168379581 /nfs/dbraw/zinc/37/95/81/168379581.db2.gz UEEBYZBIAVGRDU-MRVPVSSYSA-N 1 0 195.693 3.153 50 0 AGAARO C[C@@H]([NH2+]C1CCCC1)c1ccccc1 1742348 168379616 /nfs/dbraw/zinc/37/96/16/168379616.db2.gz QAWCRVLOFPHFRM-LLVKDONJSA-N 1 0 189.302 3.280 50 0 in-vitro AGAARO C[C@@H]([NH2+]C1CC1)c1ccccc1Cl 19261346 168380003 /nfs/dbraw/zinc/38/00/03/168380003.db2.gz LLWLXYGPGGEOBT-MRVPVSSYSA-N 1 0 195.693 3.153 50 0 in-vitro AGAARO C[C@@H]([NH2+]CC1CCC1)c1ccccc1 37180150 168381752 /nfs/dbraw/zinc/38/17/52/168381752.db2.gz WWHFXZPZKIRVOJ-LLVKDONJSA-N 1 0 189.302 3.137 50 0 in-vitro AGAARO C[C@@H]([NH2+]Cc1ccccc1)C(C)(C)C 38325161 168383708 /nfs/dbraw/zinc/38/37/08/168383708.db2.gz GDVJAMSIPVNJFL-LLVKDONJSA-N 1 0 191.318 3.211 50 0 in-vitro AGAARO C[C@@H](c1cccc2ccccc12)[NH+](C)C 2539602 168405231 /nfs/dbraw/zinc/40/52/31/168405231.db2.gz AXRXYILTIWBHEP-NSHDSACASA-N 1 0 199.297 3.462 50 0 AGAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 19883345 168414838 /nfs/dbraw/zinc/41/48/38/168414838.db2.gz PAQLDQOYPFVEQQ-PWSUYJOCSA-N 1 0 181.323 3.097 50 0 AGAARO C[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 19726058 168532340 /nfs/dbraw/zinc/53/23/40/168532340.db2.gz JRTKZRUOKWPZDA-SNVBAGLBSA-N 1 0 191.318 3.046 50 0 AGAARO C[C@H]([NH3+])c1ccc(Cl)cc1Cl 3378499 168555171 /nfs/dbraw/zinc/55/51/71/168555171.db2.gz OUVZHZAOWDHBOU-YFKPBYRVSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 295692 168555762 /nfs/dbraw/zinc/55/57/62/168555762.db2.gz UJUFOUVXOUYYRG-YFKPBYRVSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 22168675 168563275 /nfs/dbraw/zinc/56/32/75/168563275.db2.gz UEEBYZBIAVGRDU-QMMMGPOBSA-N 1 0 195.693 3.153 50 0 AGAARO C[C@H]([NH2+]Cc1ccccc1)C(C)(C)C 38325160 168567035 /nfs/dbraw/zinc/56/70/35/168567035.db2.gz GDVJAMSIPVNJFL-NSHDSACASA-N 1 0 191.318 3.211 50 0 in-vitro AGAARO C[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 19878890 168601283 /nfs/dbraw/zinc/60/12/83/168601283.db2.gz IPQRVOIHJBWUEL-WCQYABFASA-N 1 0 195.350 3.487 50 0 AGAARO C[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 19883347 168601439 /nfs/dbraw/zinc/60/14/39/168601439.db2.gz PAQLDQOYPFVEQQ-JQWIXIFHSA-N 1 0 181.323 3.097 50 0 AGAARO C[C@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 19878898 168612506 /nfs/dbraw/zinc/61/25/06/168612506.db2.gz VZMMRZKEPUBVML-AAEUAGOBSA-N 1 0 195.350 3.487 50 0 AGAARO C[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 19093836 168612608 /nfs/dbraw/zinc/61/26/08/168612608.db2.gz ZAYHAPKVIWMDAG-JQWIXIFHSA-N 1 0 181.323 3.097 50 0 in-vitro AGAARO Cc1cc(C)cc([C@H](C)[NH2+]C2CC2)c1 84349457 168744615 /nfs/dbraw/zinc/74/46/15/168744615.db2.gz XTARAGUVLHAAIH-NSHDSACASA-N 1 0 189.302 3.116 50 0 AGAARO Cc1cc(C)cc([C@H]2CCCC[NH2+]2)c1 3734616 168745316 /nfs/dbraw/zinc/74/53/16/168745316.db2.gz ITOUMWCWDRQGPJ-CYBMUJFWSA-N 1 0 189.302 3.118 50 0 AGAARO Cc1cc(Cl)ccc1[N+]#N 6070153 168760914 /nfs/dbraw/zinc/76/09/14/168760914.db2.gz AJGKQVJZDWHQHJ-UHFFFAOYSA-N 1 0 153.592 3.133 50 0 AGAARO Cc1cc([C@@H]([NH3+])C(C)C)c(C)s1 34938895 168779136 /nfs/dbraw/zinc/77/91/36/168779136.db2.gz VQMVKORSVCTELW-JTQLQIEISA-N 1 0 183.320 3.021 50 0 in-vitro AGAARO Cc1ccc(-c2ccc(C[NH3+])cc2)cc1 5739582 168793985 /nfs/dbraw/zinc/79/39/85/168793985.db2.gz CNRGPVGAMUVYJG-UHFFFAOYSA-N 1 0 197.281 3.121 50 0 in-vitro AGAARO Cc1ccc(C)c(C[NH2+]CC(C)C)c1 36094861 168804013 /nfs/dbraw/zinc/80/40/13/168804013.db2.gz QVTZCPCUFOKBNI-UHFFFAOYSA-N 1 0 191.318 3.049 50 0 AGAARO Cc1ccc(C)c([C@H]2CCCC[NH2+]2)c1 4234838 168806354 /nfs/dbraw/zinc/80/63/54/168806354.db2.gz OYLNLSGRIMNJLO-CYBMUJFWSA-N 1 0 189.302 3.118 50 0 in-vitro AGAARO Cc1ccc(C2([NH3+])CCCCC2)cc1 28966619 168808440 /nfs/dbraw/zinc/80/84/40/168808440.db2.gz WJYHWINVMQDINN-UHFFFAOYSA-N 1 0 189.302 3.113 50 0 AGAARO Cc1ccc(C[NH2+]C2CCCC2)cc1 6551103 168813774 /nfs/dbraw/zinc/81/37/74/168813774.db2.gz ZEHZDMWEUGLXDD-UHFFFAOYSA-N 1 0 189.302 3.027 50 0 in-vitro AGAARO Cc1ccc(C[NH2+]C2CCCCC2)o1 798149 168813906 /nfs/dbraw/zinc/81/39/06/168813906.db2.gz NQTVZPSKHVADEH-UHFFFAOYSA-N 1 0 193.290 3.010 50 0 AGAARO Cc1ccc(C[NH2+]C2CCCC2)s1 5969516 168814278 /nfs/dbraw/zinc/81/42/78/168814278.db2.gz JQILXIYTTWRAAG-UHFFFAOYSA-N 1 0 195.331 3.089 50 0 in-vitro AGAARO Cc1ccc(C[NH2+]C(C)(C)C)c(C)c1 22141050 168814911 /nfs/dbraw/zinc/81/49/11/168814911.db2.gz OTFHIZALQHNZCG-UHFFFAOYSA-N 1 0 191.318 3.192 50 0 AGAARO Cc1ccc(C[NH2+]CC(C)C)cc1C 34991111 168815096 /nfs/dbraw/zinc/81/50/96/168815096.db2.gz JQNHUGMJQUBJKK-UHFFFAOYSA-N 1 0 191.318 3.049 50 0 AGAARO Cc1ccc(Cl)c([C@@H]2CCC[NH2+]2)c1 72201717 168817121 /nfs/dbraw/zinc/81/71/21/168817121.db2.gz JPODNSQCQXXELK-NSHDSACASA-N 1 0 195.693 3.073 50 0 AGAARO Cc1ccc(Cl)c([C@H]2CCC[NH2+]2)c1 72201718 168817356 /nfs/dbraw/zinc/81/73/56/168817356.db2.gz JPODNSQCQXXELK-LLVKDONJSA-N 1 0 195.693 3.073 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)o1 20523171 168835244 /nfs/dbraw/zinc/83/52/44/168835244.db2.gz BMWJDPGSSCBGDH-GHMZBOCLSA-N 1 0 195.306 3.283 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]C(C)C)s1 19881037 168835343 /nfs/dbraw/zinc/83/53/43/168835343.db2.gz FKQAGTBEMOSUDG-SECBINFHSA-N 1 0 183.320 3.116 50 0 AGAARO Cc1ccc([C@@H]2CCCCC[NH2+]2)cc1 2582661 168837161 /nfs/dbraw/zinc/83/71/61/168837161.db2.gz COHNBVKUGIKOPE-ZDUSSCGKSA-N 1 0 189.302 3.200 50 0 in-vitro AGAARO Cc1ccc([C@@H]([NH3+])c2ccccc2)cc1 4200370 168837800 /nfs/dbraw/zinc/83/78/00/168837800.db2.gz UHPQFNXOFFPHJW-AWEZNQCLSA-N 1 0 197.281 3.043 50 0 in-vitro AGAARO Cc1ccc([C@@H]2CCCCC[NH2+]2)s1 3735152 168837845 /nfs/dbraw/zinc/83/78/45/168837845.db2.gz HTNOJSJPYSIFDC-JTQLQIEISA-N 1 0 195.331 3.261 50 0 in-vitro AGAARO Cc1ccc([C@@H]2[NH2+]CCC[C@H]2C)cc1 19808192 168838576 /nfs/dbraw/zinc/83/85/76/168838576.db2.gz HKWHMGVCYMBYQB-DGCLKSJQSA-N 1 0 189.302 3.056 50 0 in-vitro AGAARO Cc1ccc([C@H](C)[NH2+]C2CC2)c(C)c1 22141855 168840248 /nfs/dbraw/zinc/84/02/48/168840248.db2.gz OLGCKDZDYYXSOA-NSHDSACASA-N 1 0 189.302 3.116 50 0 AGAARO Cc1ccc([C@H](C)[NH2+]C(C)C)cc1 19880502 168840316 /nfs/dbraw/zinc/84/03/16/168840316.db2.gz UDZKAAYUPKYKET-NSHDSACASA-N 1 0 177.291 3.054 50 0 AGAARO Cc1ccc([C@H](C)[NH2+]CC(C)C)cc1 19883005 168840978 /nfs/dbraw/zinc/84/09/78/168840978.db2.gz NMYWDRPHUCYOLW-LBPRGKRZSA-N 1 0 191.318 3.302 50 0 AGAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)o1 20523170 168841191 /nfs/dbraw/zinc/84/11/91/168841191.db2.gz BMWJDPGSSCBGDH-QWRGUYRKSA-N 1 0 195.306 3.283 50 0 AGAARO Cc1ccc([C@H](C)[NH2+]C(C)C)c(C)c1 19880777 168841217 /nfs/dbraw/zinc/84/12/17/168841217.db2.gz LAKLVUHFOQUNIU-LBPRGKRZSA-N 1 0 191.318 3.362 50 0 AGAARO Cc1ccc([C@H]2CCCC[NH2+]2)c(C)c1 3734667 168842696 /nfs/dbraw/zinc/84/26/96/168842696.db2.gz UGFJMPOSDNWMOV-CYBMUJFWSA-N 1 0 189.302 3.118 50 0 AGAARO Cc1cccc(C)c1C[NH2+]CC(C)C 83341707 168863223 /nfs/dbraw/zinc/86/32/23/168863223.db2.gz MQBFEQZMSRAXRZ-UHFFFAOYSA-N 1 0 191.318 3.049 50 0 AGAARO Cc1cccc(C[NH2+]C(C)(C)C)c1C 37864117 168865856 /nfs/dbraw/zinc/86/58/56/168865856.db2.gz XCIYSHOMRCZKJQ-UHFFFAOYSA-N 1 0 191.318 3.192 50 0 AGAARO Cc1cccc(C[NH2+]CC(C)C)c1C 37854446 168865913 /nfs/dbraw/zinc/86/59/13/168865913.db2.gz FUFFCCRNNZRVIM-UHFFFAOYSA-N 1 0 191.318 3.049 50 0 AGAARO Cc1cccc([C@@H]([NH3+])C(C)(C)C)c1 37467037 168872881 /nfs/dbraw/zinc/87/28/81/168872881.db2.gz YNRFBIYHHSTFGJ-LLVKDONJSA-N 1 0 177.291 3.041 50 0 in-vitro AGAARO Cc1ccsc1C[NH2+]C1CCCC1 516848 168896010 /nfs/dbraw/zinc/89/60/10/168896010.db2.gz XRSJWQZQGFAZNS-UHFFFAOYSA-N 1 0 195.331 3.089 50 0 in-vitro AGAARO Clc1ccc([C@H]2CCCC[NH2+]2)cc1 3734444 169023049 /nfs/dbraw/zinc/02/30/49/169023049.db2.gz XENUPRVORZDBJW-LLVKDONJSA-N 1 0 195.693 3.155 50 0 in-vitro AGAARO Clc1ccc2[nH]c(C3CC3)nc2c1 39932626 169023410 /nfs/dbraw/zinc/02/34/10/169023410.db2.gz UFIRFTVQXMLAMA-UHFFFAOYSA-N 1 0 192.649 3.094 50 0 AGAARO Clc1ccc([C@@H]2CCCC[NH2+]2)cc1 2577404 169023926 /nfs/dbraw/zinc/02/39/26/169023926.db2.gz XENUPRVORZDBJW-NSHDSACASA-N 1 0 195.693 3.155 50 0 in-vitro AGAARO Clc1ccccc1[C@@H]1CCCC[NH2+]1 2577406 169024560 /nfs/dbraw/zinc/02/45/60/169024560.db2.gz FTKLHBSSVCQTMM-NSHDSACASA-N 1 0 195.693 3.155 50 0 AGAARO Clc1cccc([C@H]2CCCC[NH2+]2)c1 3734445 169024599 /nfs/dbraw/zinc/02/45/99/169024599.db2.gz FIOGYMLOBKQNHE-LLVKDONJSA-N 1 0 195.693 3.155 50 0 in-vitro AGAARO Clc1cccc([C@@H]2CCCC[NH2+]2)c1 2577405 169025128 /nfs/dbraw/zinc/02/51/28/169025128.db2.gz FIOGYMLOBKQNHE-NSHDSACASA-N 1 0 195.693 3.155 50 0 in-vitro AGAARO Clc1ccccc1[C@H]1CCCC[NH2+]1 4234866 169025163 /nfs/dbraw/zinc/02/51/63/169025163.db2.gz FTKLHBSSVCQTMM-LLVKDONJSA-N 1 0 195.693 3.155 50 0 AGAARO Fc1ccc([C@H]2CCCCC[NH2+]2)cc1 3734856 169084983 /nfs/dbraw/zinc/08/49/83/169084983.db2.gz KYRNAJNHLFLGFP-GFCCVEGCSA-N 1 0 193.265 3.030 50 0 in-vitro AGAARO Fc1ccc([C@@H]2CCCCC[NH2+]2)cc1 2582651 169085027 /nfs/dbraw/zinc/08/50/27/169085027.db2.gz KYRNAJNHLFLGFP-LBPRGKRZSA-N 1 0 193.265 3.030 50 0 in-vitro AGAARO Fc1cccc([C@@H]2CCCCC[NH2+]2)c1 3734960 169086239 /nfs/dbraw/zinc/08/62/39/169086239.db2.gz FKCWIPFGJXWSCL-LBPRGKRZSA-N 1 0 193.265 3.030 50 0 in-vitro AGAARO Fc1ccccc1[C@@H]1CCCCC[NH2+]1 3734958 169087260 /nfs/dbraw/zinc/08/72/60/169087260.db2.gz IPRHCTINBVZBNC-LBPRGKRZSA-N 1 0 193.265 3.030 50 0 in-vitro AGAARO Fc1cccc([C@H]2CCCCC[NH2+]2)c1 3734959 169088200 /nfs/dbraw/zinc/08/82/00/169088200.db2.gz FKCWIPFGJXWSCL-GFCCVEGCSA-N 1 0 193.265 3.030 50 0 in-vitro AGAARO Fc1ccccc1[C@H]1CCCCC[NH2+]1 3734957 169089509 /nfs/dbraw/zinc/08/95/09/169089509.db2.gz IPRHCTINBVZBNC-GFCCVEGCSA-N 1 0 193.265 3.030 50 0 in-vitro AGAARO [NH2+]=C(c1ccccc1)c1ccccc1 1095290 169142595 /nfs/dbraw/zinc/14/25/95/169142595.db2.gz SXZIXHOMFPUIRK-UHFFFAOYSA-N 1 0 181.238 3.103 50 0 in-vitro AGAARO [NH2+]=C1c2ccccc2-c2ccccc21 1724466 169144596 /nfs/dbraw/zinc/14/45/96/169144596.db2.gz QVJLOUKVQGQPCX-UHFFFAOYSA-N 1 0 179.222 3.083 50 0 AGAARO [NH3+]CCCCCc1ccc(Cl)cc1 36157097 169181416 /nfs/dbraw/zinc/18/14/16/169181416.db2.gz DMLDWBBPIWJODN-UHFFFAOYSA-N 1 0 197.709 3.012 50 0 AGAARO [NH3+]Cc1ccc(C2CCCCC2)cc1 41204865 169222336 /nfs/dbraw/zinc/22/23/36/169222336.db2.gz HOTDNAGZXRCBOK-UHFFFAOYSA-N 1 0 189.302 3.193 50 0 in-vitro AGAARO [NH3+]Cc1ccc2oc3ccccc3c2c1 69803397 169224496 /nfs/dbraw/zinc/22/44/96/169224496.db2.gz FSYOVMXQRWIDBE-UHFFFAOYSA-N 1 0 197.237 3.045 50 0 AGAARO [NH3+]Cc1csc2ccc(Cl)cc12 165951 169228449 /nfs/dbraw/zinc/22/84/49/169228449.db2.gz VRNXLYAXYIHHHH-UHFFFAOYSA-N 1 0 197.690 3.013 50 0 in-vitro AGAARO [NH3+]Cc1sc2ccccc2c1Cl 8731843 169233260 /nfs/dbraw/zinc/23/32/60/169233260.db2.gz UAJSRZAWRKEBLG-UHFFFAOYSA-N 1 0 197.690 3.013 50 0 in-vitro AGAARO [NH3+][C@@H](CC1CCC1)c1ccccc1F 83841405 169243304 /nfs/dbraw/zinc/24/33/04/169243304.db2.gz GEPLNSUVCAGMGX-LBPRGKRZSA-N 1 0 193.265 3.016 50 0 AGAARO [NH3+][C@@H](CC1CC1)c1ccc(Cl)cc1 49729226 169243366 /nfs/dbraw/zinc/24/33/66/169243366.db2.gz XXBWILFWEPHBDY-NSHDSACASA-N 1 0 195.693 3.140 50 0 AGAARO [NH3+][C@@H](CC1CCC1)c1cccc(F)c1 83840963 169243384 /nfs/dbraw/zinc/24/33/84/169243384.db2.gz ORUFJHGCTSHTKD-LBPRGKRZSA-N 1 0 193.265 3.016 50 0 AGAARO [NH3+][C@@H](CC1CCCC1)c1ccccc1 19415361 169243610 /nfs/dbraw/zinc/24/36/10/169243610.db2.gz OXMIGFICANIVEU-ZDUSSCGKSA-N 1 0 189.302 3.267 50 0 in-vitro AGAARO [NH3+][C@@H](CC1CCC1)c1ccc(F)cc1 83840957 169243677 /nfs/dbraw/zinc/24/36/77/169243677.db2.gz VQDUMXPOSJPPGZ-LBPRGKRZSA-N 1 0 193.265 3.016 50 0 AGAARO [NH3+][C@@H](C1CCCCC1)C1CCCC1 37466938 169243837 /nfs/dbraw/zinc/24/38/37/169243837.db2.gz KDJOHGYTXQMDTG-LBPRGKRZSA-N 1 0 181.323 3.084 50 0 AGAARO [NH3+][C@@H](c1cccc(F)c1)C1CCCC1 37466109 169249066 /nfs/dbraw/zinc/24/90/66/169249066.db2.gz SEVSBNYOVVORBB-GFCCVEGCSA-N 1 0 193.265 3.016 50 0 in-vitro AGAARO [NH3+][C@@H](c1ccccc1F)C1CCCC1 41206261 169249414 /nfs/dbraw/zinc/24/94/14/169249414.db2.gz AVWCONKYUKOBNC-GFCCVEGCSA-N 1 0 193.265 3.016 50 0 in-vitro AGAARO [NH3+][C@@H](c1cccs1)C1CCCCC1 19093237 169249725 /nfs/dbraw/zinc/24/97/25/169249725.db2.gz GNEJURCYUCVXIG-LLVKDONJSA-N 1 0 195.331 3.328 50 0 AGAARO [NH3+][C@@H](c1ccccc1)C1CCCCC1 19804007 169249817 /nfs/dbraw/zinc/24/98/17/169249817.db2.gz JQCBKIHKSZUZKT-ZDUSSCGKSA-N 1 0 189.302 3.267 50 0 in-vitro AGAARO [NH3+][C@@H](c1ccsc1)C1CCCCC1 37466491 169249930 /nfs/dbraw/zinc/24/99/30/169249930.db2.gz PYHZFZHWXBPZDK-LLVKDONJSA-N 1 0 195.331 3.328 50 0 AGAARO [NH3+][C@@H](c1ccc(Cl)cc1)C1CCC1 36960422 169250100 /nfs/dbraw/zinc/25/01/00/169250100.db2.gz GISAYPKELLUGOE-LLVKDONJSA-N 1 0 195.693 3.140 50 0 in-vitro AGAARO [NH3+][C@@H](c1ccc(F)cc1)C1CCCC1 9245959 169250158 /nfs/dbraw/zinc/25/01/58/169250158.db2.gz NTNLGQWPYJTABN-GFCCVEGCSA-N 1 0 193.265 3.016 50 0 in-vitro AGAARO [NH3+][C@@H]1CCCC[C@@H]1C1CCCCC1 1566643 169251768 /nfs/dbraw/zinc/25/17/68/169251768.db2.gz KEHCTKVZDAEDPP-VXGBXAGGSA-N 1 0 181.323 3.084 50 0 AGAARO [NH3+][C@@H]1CCCC[C@H]1C1CCCCC1 1566644 169252167 /nfs/dbraw/zinc/25/21/67/169252167.db2.gz KEHCTKVZDAEDPP-NWDGAFQWSA-N 1 0 181.323 3.084 50 0 AGAARO [NH3+][C@@H]1CCCC[C@@H]1CC1CCCC1 42401727 169252169 /nfs/dbraw/zinc/25/21/69/169252169.db2.gz VGKVSISPFMJALL-VXGBXAGGSA-N 1 0 181.323 3.084 50 0 in-vitro AGAARO [NH3+][C@@H]1CCCC[C@H]1CC1CCCC1 42401723 169252216 /nfs/dbraw/zinc/25/22/16/169252216.db2.gz VGKVSISPFMJALL-NWDGAFQWSA-N 1 0 181.323 3.084 50 0 in-vitro AGAARO [NH3+][C@@H]1CCCCC[C@@H]1c1ccccc1 34370419 169252336 /nfs/dbraw/zinc/25/23/36/169252336.db2.gz SRQXYJVGOKDPGX-CHWSQXEVSA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@@H]1CCCCC[C@H]1c1ccccc1 34370418 169252583 /nfs/dbraw/zinc/25/25/83/169252583.db2.gz SRQXYJVGOKDPGX-QWHCGFSZSA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@@H]1[C@H]2CCC[C@@H]1C1=C(CCCC1)C2 4863117 169260894 /nfs/dbraw/zinc/26/08/94/169260894.db2.gz RNIDTNZHNRWZFL-CYZMBNFOSA-N 1 0 191.318 3.004 50 0 AGAARO [NH3+][C@H](CC1CCCC1)c1ccccc1 19415363 169263278 /nfs/dbraw/zinc/26/32/78/169263278.db2.gz OXMIGFICANIVEU-CYBMUJFWSA-N 1 0 189.302 3.267 50 0 in-vitro AGAARO [NH3+][C@H](C1CCCCC1)C1CCCC1 102953676 169263369 /nfs/dbraw/zinc/26/33/69/169263369.db2.gz KDJOHGYTXQMDTG-GFCCVEGCSA-N 1 0 181.323 3.084 50 0 AGAARO [NH3+][C@H](CC1CC1)c1ccc(Cl)cc1 49729224 169263474 /nfs/dbraw/zinc/26/34/74/169263474.db2.gz XXBWILFWEPHBDY-LLVKDONJSA-N 1 0 195.693 3.140 50 0 AGAARO [NH3+][C@H](CC1CCC1)c1ccccc1F 83841404 169263941 /nfs/dbraw/zinc/26/39/41/169263941.db2.gz GEPLNSUVCAGMGX-GFCCVEGCSA-N 1 0 193.265 3.016 50 0 AGAARO [NH3+][C@H](CC1CCC1)c1ccc(F)cc1 83840956 169264084 /nfs/dbraw/zinc/26/40/84/169264084.db2.gz VQDUMXPOSJPPGZ-GFCCVEGCSA-N 1 0 193.265 3.016 50 0 AGAARO [NH3+][C@H](CC1CCC1)c1cccc(F)c1 83840962 169264249 /nfs/dbraw/zinc/26/42/49/169264249.db2.gz ORUFJHGCTSHTKD-GFCCVEGCSA-N 1 0 193.265 3.016 50 0 AGAARO [NH3+][C@H](c1cccs1)C1CCCCC1 19093235 169269371 /nfs/dbraw/zinc/26/93/71/169269371.db2.gz GNEJURCYUCVXIG-NSHDSACASA-N 1 0 195.331 3.328 50 0 AGAARO [NH3+][C@H](c1ccc(Cl)cc1)C1CCC1 36960423 169269587 /nfs/dbraw/zinc/26/95/87/169269587.db2.gz GISAYPKELLUGOE-NSHDSACASA-N 1 0 195.693 3.140 50 0 in-vitro AGAARO [NH3+][C@H](c1ccc(F)cc1)C1CCCC1 9245960 169269921 /nfs/dbraw/zinc/26/99/21/169269921.db2.gz NTNLGQWPYJTABN-LBPRGKRZSA-N 1 0 193.265 3.016 50 0 in-vitro AGAARO [NH3+][C@H](c1cccc(F)c1)C1CCCC1 37466111 169269933 /nfs/dbraw/zinc/26/99/33/169269933.db2.gz SEVSBNYOVVORBB-LBPRGKRZSA-N 1 0 193.265 3.016 50 0 in-vitro AGAARO [NH3+][C@H](c1ccccc1)C1CCCCC1 19804006 169270111 /nfs/dbraw/zinc/27/01/11/169270111.db2.gz JQCBKIHKSZUZKT-CYBMUJFWSA-N 1 0 189.302 3.267 50 0 in-vitro AGAARO [NH3+][C@H](c1ccsc1)C1CCCCC1 37466493 169270177 /nfs/dbraw/zinc/27/01/77/169270177.db2.gz PYHZFZHWXBPZDK-NSHDSACASA-N 1 0 195.331 3.328 50 0 AGAARO [NH3+][C@H](c1ccccc1F)C1CCCC1 41206262 169270230 /nfs/dbraw/zinc/27/02/30/169270230.db2.gz AVWCONKYUKOBNC-LBPRGKRZSA-N 1 0 193.265 3.016 50 0 in-vitro AGAARO [NH3+][C@H]1CCCC[C@@H]1CC1CCCC1 42401719 169271727 /nfs/dbraw/zinc/27/17/27/169271727.db2.gz VGKVSISPFMJALL-NEPJUHHUSA-N 1 0 181.323 3.084 50 0 in-vitro AGAARO [NH3+][C@H]1CCCCC[C@@H]1c1ccccc1 34370417 169271751 /nfs/dbraw/zinc/27/17/51/169271751.db2.gz SRQXYJVGOKDPGX-OLZOCXBDSA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@H]1CCCC[C@H]1C1CCCCC1 1566646 169272354 /nfs/dbraw/zinc/27/23/54/169272354.db2.gz KEHCTKVZDAEDPP-RYUDHWBXSA-N 1 0 181.323 3.084 50 0 AGAARO [NH3+][C@H]1CCCCC[C@H]1c1ccccc1 34370416 169272411 /nfs/dbraw/zinc/27/24/11/169272411.db2.gz SRQXYJVGOKDPGX-STQMWFEESA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@H]1CCCC[C@@H]1C1CCCCC1 1566645 169272868 /nfs/dbraw/zinc/27/28/68/169272868.db2.gz KEHCTKVZDAEDPP-NEPJUHHUSA-N 1 0 181.323 3.084 50 0 AGAARO [NH3+][C@H]1CCCC[C@H]1CC1CCCC1 42401716 169272884 /nfs/dbraw/zinc/27/28/84/169272884.db2.gz VGKVSISPFMJALL-RYUDHWBXSA-N 1 0 181.323 3.084 50 0 in-vitro AGAARO C#[N+]c1c(C)cccc1Cl 60290546 169467488 /nfs/dbraw/zinc/46/74/88/169467488.db2.gz FUJFVLJRBCVMHT-UHFFFAOYSA-N 1 0 151.596 3.199 50 0 AGAARO C#[N+]c1ccc(Br)cc1C 100000364 169467770 /nfs/dbraw/zinc/46/77/70/169467770.db2.gz INTGPUSTCUFVPV-UHFFFAOYSA-N 1 0 196.047 3.308 50 0 in-vitro AGAARO C#[N+]c1ccc2ccccc2c1 55757710 169468519 /nfs/dbraw/zinc/46/85/19/169468519.db2.gz ZZKQDMRCHFQQCQ-UHFFFAOYSA-N 1 0 153.184 3.391 50 0 in-vitro AGAARO c1ccc2[s+]csc2c1 16382799 169477598 /nfs/dbraw/zinc/47/75/98/169477598.db2.gz WGHQUJVDEAGKKT-UHFFFAOYSA-N 1 0 153.251 3.244 50 0 in-vitro AGAARO Cc1ccccc1[C@@H]1CCCCC[NH2+]1 2582660 171007983 /nfs/dbraw/zinc/00/79/83/171007983.db2.gz CIBNCGKWGANWBA-ZDUSSCGKSA-N 1 0 189.302 3.200 50 0 in-vitro AGAARO Cc1ccccc1[C@H]1CCCCC[NH2+]1 3734919 171010359 /nfs/dbraw/zinc/01/03/59/171010359.db2.gz CIBNCGKWGANWBA-CYBMUJFWSA-N 1 0 189.302 3.200 50 0 in-vitro AGAARO c1csc(C[NH+]2CCCCCC2)c1 4977753 171014922 /nfs/dbraw/zinc/01/49/22/171014922.db2.gz SLLZQDLIAPDHFC-UHFFFAOYSA-N 1 0 195.331 3.124 50 0 AGAARO c1cc(C[NH+]2CCCCCC2)cs1 4990143 171015042 /nfs/dbraw/zinc/01/50/42/171015042.db2.gz SBOVVXWUQDBYRG-UHFFFAOYSA-N 1 0 195.331 3.124 50 0 AGAARO N#[N+]c1ccc(Cl)cc1Cl 5217546 171016327 /nfs/dbraw/zinc/01/63/27/171016327.db2.gz SVDAJTZKOJZQFC-UHFFFAOYSA-N 1 0 174.010 3.478 50 0 AGAARO CCCCCC[NH2+]Cc1ccccc1 5308567 171016647 /nfs/dbraw/zinc/01/66/47/171016647.db2.gz VFZWCTYGZWDQGK-UHFFFAOYSA-N 1 0 191.318 3.357 50 0 AGAARO c1csc(C[NH2+]C2CCCCC2)c1 5997593 171019192 /nfs/dbraw/zinc/01/91/92/171019192.db2.gz IUBVIOLKUAZEJW-UHFFFAOYSA-N 1 0 195.331 3.170 50 0 in-vitro AGAARO [NH3+]C1(c2ccc(Cl)cc2)CCCC1 11884028 171024871 /nfs/dbraw/zinc/02/48/71/171024871.db2.gz OABHQEDLKCUSRI-UHFFFAOYSA-N 1 0 195.693 3.068 50 0 in-vitro AGAARO [NH3+]C1(c2cccc(Cl)c2)CCCC1 11884427 171024910 /nfs/dbraw/zinc/02/49/10/171024910.db2.gz YOBFSMIZMFYSRN-UHFFFAOYSA-N 1 0 195.693 3.068 50 0 in-vitro AGAARO C/C=C/CC1(C/C=C/C)CCC[NH2+]1 12284802 171024947 /nfs/dbraw/zinc/02/49/47/171024947.db2.gz KFYPKCHGNHRNAJ-GGWOSOGESA-N 1 0 179.307 3.041 50 0 AGAARO Cc1ccccc1C[NH2+]C1CCCC1 16362684 171030556 /nfs/dbraw/zinc/03/05/56/171030556.db2.gz DQNQCGNZLHEJQR-UHFFFAOYSA-N 1 0 189.302 3.027 50 0 in-vitro AGAARO Cc1ccccc1[C@@H]([NH3+])c1ccccc1 19093391 171033666 /nfs/dbraw/zinc/03/36/66/171033666.db2.gz LZLNARHIRUKNFV-AWEZNQCLSA-N 1 0 197.281 3.043 50 0 in-vitro AGAARO Cc1ccccc1[C@H]([NH3+])c1ccccc1 19093393 171033827 /nfs/dbraw/zinc/03/38/27/171033827.db2.gz LZLNARHIRUKNFV-CQSZACIVSA-N 1 0 197.281 3.043 50 0 in-vitro AGAARO Cc1ccccc1[C@@H](C)[NH2+]C(C)C 19880768 171036435 /nfs/dbraw/zinc/03/64/35/171036435.db2.gz URFYVFSOFRRDKZ-LLVKDONJSA-N 1 0 177.291 3.054 50 0 AGAARO Cc1ccccc1[C@@H](C)[NH2+]CC(C)C 19883150 171036723 /nfs/dbraw/zinc/03/67/23/171036723.db2.gz ITXYTLKSDOKGEB-GFCCVEGCSA-N 1 0 191.318 3.302 50 0 in-vitro AGAARO Cc1ccccc1[C@H](C)[NH2+]C(C)C 19880765 171036881 /nfs/dbraw/zinc/03/68/81/171036881.db2.gz URFYVFSOFRRDKZ-NSHDSACASA-N 1 0 177.291 3.054 50 0 AGAARO Cc1ccccc1[C@H](C)[NH2+]CC(C)C 19883149 171036946 /nfs/dbraw/zinc/03/69/46/171036946.db2.gz ITXYTLKSDOKGEB-LBPRGKRZSA-N 1 0 191.318 3.302 50 0 in-vitro AGAARO CC(C)(C)[C@@H]([NH3+])c1ccc(F)cc1F 19968912 171037189 /nfs/dbraw/zinc/03/71/89/171037189.db2.gz OJOBBVRPQDBLPE-JTQLQIEISA-N 1 0 199.244 3.011 50 0 in-vitro AGAARO Cc1ccccc1C[NH2+][C@@H](C)C(C)C 20305366 171038615 /nfs/dbraw/zinc/03/86/15/171038615.db2.gz IAASCFNTMNBIIU-LBPRGKRZSA-N 1 0 191.318 3.129 50 0 AGAARO Cc1ccccc1C[NH2+][C@H](C)C(C)C 20305365 171038968 /nfs/dbraw/zinc/03/89/68/171038968.db2.gz IAASCFNTMNBIIU-GFCCVEGCSA-N 1 0 191.318 3.129 50 0 AGAARO CC(C)(C)C(=[NH2+])C(C)(C)C 24718443 171043979 /nfs/dbraw/zinc/04/39/79/171043979.db2.gz VCMKYJMEMATQPE-UHFFFAOYSA-N 1 0 141.258 3.098 50 0 in-vitro AGAARO Cc1ccccc1[C@@H]([NH3+])C(C)(C)C 37467055 171064913 /nfs/dbraw/zinc/06/49/13/171064913.db2.gz LEOJYNQFZGBWMY-LLVKDONJSA-N 1 0 177.291 3.041 50 0 AGAARO Cc1ccccc1[C@H]([NH3+])C(C)(C)C 37467052 171064987 /nfs/dbraw/zinc/06/49/87/171064987.db2.gz LEOJYNQFZGBWMY-NSHDSACASA-N 1 0 177.291 3.041 50 0 AGAARO Cc1ccccc1[C@@H]([NH3+])CC(C)C 37466849 171065050 /nfs/dbraw/zinc/06/50/50/171065050.db2.gz JLSPINKVLBVMGK-LBPRGKRZSA-N 1 0 177.291 3.041 50 0 in-vitro AGAARO Cc1ccccc1[C@H]([NH3+])CC(C)C 37466847 171065072 /nfs/dbraw/zinc/06/50/72/171065072.db2.gz JLSPINKVLBVMGK-GFCCVEGCSA-N 1 0 177.291 3.041 50 0 in-vitro AGAARO CC(C)(C)[C@@H]([NH3+])CCC1CCCC1 42375099 171085830 /nfs/dbraw/zinc/08/58/30/171085830.db2.gz SIXICMBYCGOHLJ-NSHDSACASA-N 1 0 183.339 3.330 50 0 in-vitro AGAARO CC(C)(C)[C@@H]([NH3+])CC1CCCCC1 53819238 171098903 /nfs/dbraw/zinc/09/89/03/171098903.db2.gz FEWAYFMACVGCPY-NSHDSACASA-N 1 0 183.339 3.330 50 0 in-vitro AGAARO N#[N+]c1cc(Cl)cc(Cl)c1 57990213 171101159 /nfs/dbraw/zinc/10/11/59/171101159.db2.gz SWFLNTWSAJTXAS-UHFFFAOYSA-N 1 0 174.010 3.478 50 0 AGAARO C1CCC(C2=[NH+]CCCC2)CC1 71772992 171108638 /nfs/dbraw/zinc/10/86/38/171108638.db2.gz BOBAWHZJROUFFM-UHFFFAOYSA-N 1 0 165.280 3.192 50 0 AGAARO [NH3+]CC1(C2CCCCC2)CCCCC1 82016221 171121164 /nfs/dbraw/zinc/12/11/64/171121164.db2.gz FYNYEZQHKOXSEH-UHFFFAOYSA-N 1 0 195.350 3.476 50 0 in-vitro AGAARO c1ccc(C[NH+]2CCCCCC2)cc1 9224975 171165516 /nfs/dbraw/zinc/16/55/16/171165516.db2.gz PTIVSZNNOUZBKM-UHFFFAOYSA-N 1 0 189.302 3.063 50 0 AGAARO CC[Si](C)(C)[NH2+][Si](C)(C)CC 170162299 171165780 /nfs/dbraw/zinc/16/57/80/171165780.db2.gz MHRNQQUEUYMEEH-UHFFFAOYSA-N 1 0 189.451 3.026 50 0 AGAARO CC[Si](CC)(CC)CC[NH+]1CCC1 195803754 171199582 /nfs/dbraw/zinc/19/95/82/171199582.db2.gz ZUYRJOJXFSGHTG-UHFFFAOYSA-N 1 0 199.414 3.201 50 0 AGAARO CC(C)(C)c1ccc(C[NH3+])c(Cl)c1 199970906 344362348 /nfs/dbraw/zinc/36/23/48/344362348.db2.gz SCAKUFHVEVEDMO-UHFFFAOYSA-N 1 0 197.709 3.096 50 0 AGAARO CCC(C)(C)Nc1ccc(OC)cc1 238186123 344795332 /nfs/dbraw/zinc/79/53/32/344795332.db2.gz WGOVXIJDXVPRGD-UHFFFAOYSA-N 1 0 193.290 3.296 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 19882004 351397054 /nfs/dbraw/zinc/39/70/54/351397054.db2.gz RZAQGESWNUCEEY-NEPJUHHUSA-N 1 0 191.318 3.444 50 0 AGAARO CC[C@]([NH3+])(c1ccc(F)cc1)C(C)C 37755347 351474246 /nfs/dbraw/zinc/47/42/46/351474246.db2.gz NIVFIIQYXYAOGF-GFCCVEGCSA-N 1 0 195.281 3.046 50 0 AGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 38416401 351481017 /nfs/dbraw/zinc/48/10/17/351481017.db2.gz IGOHZRWAEINEMC-GFCCVEGCSA-N 1 0 189.302 3.061 50 0 AGAARO CCCCCC[C@H](CC)C[NH2+]C 52972818 325603152 /nfs/dbraw/zinc/60/31/52/325603152.db2.gz PLIRAZIPLWDXRH-NSHDSACASA-N 1 0 171.328 3.202 50 0 in-vitro AGAARO Cc1c2c(cc3ccccc13)CN(C)C2 1323099 342944376 /nfs/dbraw/zinc/94/43/76/342944376.db2.gz XRJXBEJIXDJPCY-UHFFFAOYSA-N 1 0 197.281 3.094 50 0 biogenic AGAARO [NH3+]C1(c2ccccc2)CCCCCC1 1563308 342947428 /nfs/dbraw/zinc/94/74/28/342947428.db2.gz LTWBQSVETWWOFJ-UHFFFAOYSA-N 1 0 189.302 3.195 50 0 AGAARO CCCCn1c(C)nc2ccccc21 1580074 342948916 /nfs/dbraw/zinc/94/89/16/342948916.db2.gz QFCMOFRLADNCHO-UHFFFAOYSA-N 1 0 188.274 3.145 50 0 AGAARO C[NH2+]C1(c2ccccc2)CCCCC1 1627062 342952966 /nfs/dbraw/zinc/95/29/66/342952966.db2.gz TVXWSRNLIRYOFR-UHFFFAOYSA-N 1 0 189.302 3.065 50 0 AGAARO CCCC[NH2+][C@H](C)c1ccccc1 1693375 342959423 /nfs/dbraw/zinc/95/94/23/342959423.db2.gz SHHMVRIBSOJMCK-LLVKDONJSA-N 1 0 177.291 3.137 50 0 in-vitro AGAARO CCCCC[C@@H]([NH3+])c1ccccc1 2000476 342965824 /nfs/dbraw/zinc/96/58/24/342965824.db2.gz AGKIPYDSTSIPBU-GFCCVEGCSA-N 1 0 177.291 3.267 50 0 in-vitro AGAARO CCCCC[C@H]([NH3+])c1ccccc1 2000475 342965864 /nfs/dbraw/zinc/96/58/64/342965864.db2.gz AGKIPYDSTSIPBU-LBPRGKRZSA-N 1 0 177.291 3.267 50 0 in-vitro AGAARO CC[C@H](C)[NH2+][C@H](C)c1ccccc1 2027688 342967082 /nfs/dbraw/zinc/96/70/82/342967082.db2.gz PXWVXIBJJNDWLW-WDEREUQCSA-N 1 0 177.291 3.136 50 0 AGAARO CC(C)[NH2+][C@@H](c1ccccc1)C(C)C 2027707 342967115 /nfs/dbraw/zinc/96/71/15/342967115.db2.gz CDBFDZDLTLIVIP-CYBMUJFWSA-N 1 0 191.318 3.382 50 0 AGAARO CC(C)[NH2+][C@H](c1ccccc1)C(C)C 2027705 342967288 /nfs/dbraw/zinc/96/72/88/342967288.db2.gz CDBFDZDLTLIVIP-ZDUSSCGKSA-N 1 0 191.318 3.382 50 0 AGAARO CCCC[NH2+][C@@H](C)c1ccccc1 2037271 342968201 /nfs/dbraw/zinc/96/82/01/342968201.db2.gz SHHMVRIBSOJMCK-NSHDSACASA-N 1 0 177.291 3.137 50 0 in-vitro AGAARO C[C@H]1CC(C)(C)[NH2+]Cc2ccccc21 2133741 342969557 /nfs/dbraw/zinc/96/95/57/342969557.db2.gz DVSDFKWNHPZIDC-JTQLQIEISA-N 1 0 189.302 3.062 50 0 biogenic,in-vitro AGAARO C[C@H](c1cccc2ccccc12)[NH+](C)C 2390045 342972261 /nfs/dbraw/zinc/97/22/61/342972261.db2.gz AXRXYILTIWBHEP-LLVKDONJSA-N 1 0 199.297 3.462 50 0 AGAARO CCCCC[NH2+]Cc1ccccc1F 2526575 342974398 /nfs/dbraw/zinc/97/43/98/342974398.db2.gz ZAPWIPSINYZNQG-UHFFFAOYSA-N 1 0 195.281 3.106 50 0 AGAARO CC[C@@H]([NH3+])c1ccc(C(C)C)cc1 2559439 342976474 /nfs/dbraw/zinc/97/64/74/342976474.db2.gz BJLZRVDZPRNPIM-GFCCVEGCSA-N 1 0 177.291 3.220 50 0 AGAARO Cc1ccc([C@@H]2CCCC[NH2+]2)c(C)c1 2582639 342978574 /nfs/dbraw/zinc/97/85/74/342978574.db2.gz UGFJMPOSDNWMOV-ZDUSSCGKSA-N 1 0 189.302 3.118 50 0 AGAARO Cc1cccc([C@@H]2CCCCC[NH2+]2)c1 2582658 342978713 /nfs/dbraw/zinc/97/87/13/342978713.db2.gz NJQUNODHZTUWRZ-ZDUSSCGKSA-N 1 0 189.302 3.200 50 0 in-vitro AGAARO Cc1cc(C)cc([C@@H]2CCCC[NH2+]2)c1 2582631 342978823 /nfs/dbraw/zinc/97/88/23/342978823.db2.gz ITOUMWCWDRQGPJ-ZDUSSCGKSA-N 1 0 189.302 3.118 50 0 AGAARO CCC(CC)[NH+](C(C)C)C(C)C 2584408 342978941 /nfs/dbraw/zinc/97/89/41/342978941.db2.gz BDKMTSFYPWEJRE-UHFFFAOYSA-N 1 0 171.328 3.294 50 0 in-vitro AGAARO CC[C@H](C)c1ccc([C@H](C)[NH3+])cc1 2732099 342979538 /nfs/dbraw/zinc/97/95/38/342979538.db2.gz RNODDJQLVDOMIX-UWVGGRQHSA-N 1 0 177.291 3.220 50 0 AGAARO CC1=[NH+]C2(CCCC2)Cc2ccccc21 2816513 342979779 /nfs/dbraw/zinc/97/97/79/342979779.db2.gz LMRXXRHJJPINHK-UHFFFAOYSA-N 1 0 199.297 3.365 50 0 AGAARO CC[C@H]([NH3+])c1ccc(C(C)C)cc1 2732136 342979892 /nfs/dbraw/zinc/97/98/92/342979892.db2.gz BJLZRVDZPRNPIM-LBPRGKRZSA-N 1 0 177.291 3.220 50 0 AGAARO CC[N+]1=C(C)C(C)(C)c2ccccc21 3131100 342981133 /nfs/dbraw/zinc/98/11/33/342981133.db2.gz BWMDIXROHZDVFT-UHFFFAOYSA-N 1 0 188.294 3.103 50 0 in-vitro AGAARO C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 3394034 342982392 /nfs/dbraw/zinc/98/23/92/342982392.db2.gz QVLZRPPCCDKMPO-NSHDSACASA-N 1 0 197.281 3.373 50 0 in-vitro AGAARO CCCCc1ccc([C@H](C)[NH3+])cc1 3705627 342983663 /nfs/dbraw/zinc/98/36/63/342983663.db2.gz RBWVBFNOIKOLSE-JTQLQIEISA-N 1 0 177.291 3.049 50 0 AGAARO C[C@H]([NH3+])c1cc(Cl)ccc1Cl 3705306 342983670 /nfs/dbraw/zinc/98/36/70/342983670.db2.gz IVVIPUWVXFLYSU-YFKPBYRVSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO CCCCc1ccc([C@@H](C)[NH3+])cc1 3705626 342983736 /nfs/dbraw/zinc/98/37/36/342983736.db2.gz RBWVBFNOIKOLSE-SNVBAGLBSA-N 1 0 177.291 3.049 50 0 AGAARO C[C@H]([NH3+])c1cc(Cl)sc1Cl 3705337 342983814 /nfs/dbraw/zinc/98/38/14/342983814.db2.gz XQQBGSGXYCGPND-VKHMYHEASA-N 1 0 196.102 3.075 50 0 AGAARO C[C@H]([NH3+])c1cccc(Cl)c1Cl 3870307 342985382 /nfs/dbraw/zinc/98/53/82/342985382.db2.gz CZJMQTZQSNUDNV-YFKPBYRVSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO CC12CC3(C)CC(C)(C1)CC([NH3+])(C2)C3 4076224 342987240 /nfs/dbraw/zinc/98/72/40/342987240.db2.gz XOEUSMBMGXZZJL-UHFFFAOYSA-N 1 0 193.334 3.084 50 0 AGAARO CC(C)c1ccc([C@H]([NH3+])C(C)C)cc1 4206614 342988346 /nfs/dbraw/zinc/98/83/46/342988346.db2.gz QRCHQGBLIXDUTD-CYBMUJFWSA-N 1 0 191.318 3.466 50 0 in-vitro AGAARO CC(C)c1ccc(C[NH2+]C2CC2)cc1 4207295 342988392 /nfs/dbraw/zinc/98/83/92/342988392.db2.gz NIMZIHWYZATVSS-UHFFFAOYSA-N 1 0 189.302 3.062 50 0 in-vitro AGAARO CC(C)c1ccc([C@@H]([NH3+])C(C)C)cc1 4206616 342988529 /nfs/dbraw/zinc/98/85/29/342988529.db2.gz QRCHQGBLIXDUTD-ZDUSSCGKSA-N 1 0 191.318 3.466 50 0 in-vitro AGAARO CCCCC[NH2+]Cc1ccc(F)cc1 4204892 342988563 /nfs/dbraw/zinc/98/85/63/342988563.db2.gz XVCVNVRAIYQXBP-UHFFFAOYSA-N 1 0 195.281 3.106 50 0 in-vitro AGAARO CC(C)c1ccc([C@@H]2CCC[NH2+]2)cc1 4234767 342989248 /nfs/dbraw/zinc/98/92/48/342989248.db2.gz ZYXHXFDDXNHWHZ-ZDUSSCGKSA-N 1 0 189.302 3.235 50 0 in-vitro AGAARO Cc1ccc([C@@H]2CCCC[NH2+]2)cc1C 4234835 342989403 /nfs/dbraw/zinc/98/94/03/342989403.db2.gz QTUJZPRAUZIQPZ-ZDUSSCGKSA-N 1 0 189.302 3.118 50 0 in-vitro AGAARO Cc1ccc([C@H]2CCCC[NH2+]2)cc1C 4234836 342989496 /nfs/dbraw/zinc/98/94/96/342989496.db2.gz QTUJZPRAUZIQPZ-CYBMUJFWSA-N 1 0 189.302 3.118 50 0 in-vitro AGAARO CC(C)=CCC[C@H](C)[NH2+]C(C)C 4578724 342993086 /nfs/dbraw/zinc/99/30/86/342993086.db2.gz LUNGKBYOLTXOFS-NSHDSACASA-N 1 0 169.312 3.119 50 0 AGAARO CC(C)=CCC[C@@H](C)[NH2+]C(C)C 4578725 342993251 /nfs/dbraw/zinc/99/32/51/342993251.db2.gz LUNGKBYOLTXOFS-LLVKDONJSA-N 1 0 169.312 3.119 50 0 AGAARO CCCC[N@H+](C)Cc1ccc(C)cc1 4690070 342993902 /nfs/dbraw/zinc/99/39/02/342993902.db2.gz HQDWNHKSVWXTMM-UHFFFAOYSA-N 1 0 191.318 3.227 50 0 AGAARO CCCC[N@H+](C)Cc1ccccc1F 4680710 342994099 /nfs/dbraw/zinc/99/40/99/342994099.db2.gz FVGNYYMHKGYFJX-UHFFFAOYSA-N 1 0 195.281 3.058 50 0 AGAARO Cc1cccc(C[NH2+]C2CCCC2)c1 4681543 342994134 /nfs/dbraw/zinc/99/41/34/342994134.db2.gz IAAWOZKMYWZSOD-UHFFFAOYSA-N 1 0 189.302 3.027 50 0 AGAARO CC[C@@]1(C)Cc2ccccc2C(C)=[NH+]1 4834629 342996246 /nfs/dbraw/zinc/99/62/46/342996246.db2.gz WCZULFIGZWKRAE-ZDUSSCGKSA-N 1 0 187.286 3.220 50 0 AGAARO C[NH2+]C1CCCCCCCCC1 4918978 342996926 /nfs/dbraw/zinc/99/69/26/342996926.db2.gz BOYGZZJDNIMQTC-UHFFFAOYSA-N 1 0 169.312 3.099 50 0 AGAARO CCCC[C@@H]1[NH2+]CCc2ccccc21 5310159 343001254 /nfs/dbraw/zinc/00/12/54/343001254.db2.gz NEMBFAJWTUSZDU-ZDUSSCGKSA-N 1 0 189.302 3.064 50 0 AGAARO CCCC[C@H]1[NH2+]CCc2ccccc21 5309825 343001345 /nfs/dbraw/zinc/00/13/45/343001345.db2.gz NEMBFAJWTUSZDU-CYBMUJFWSA-N 1 0 189.302 3.064 50 0 AGAARO CC1=CC(C)=[NH+]c2ccc(C)cc2N1 5440847 343002561 /nfs/dbraw/zinc/00/25/61/343002561.db2.gz IAJGXTBRJDRNCF-UHFFFAOYSA-N 1 0 186.258 3.417 50 0 AGAARO Cc1ccc(-c2cccc(C[NH3+])c2)cc1 5739598 343007223 /nfs/dbraw/zinc/00/72/23/343007223.db2.gz YAMMJEDDXWALLN-UHFFFAOYSA-N 1 0 197.281 3.121 50 0 in-vitro AGAARO Cc1cccc(-c2ccc(C[NH3+])cc2)c1 5751953 343007660 /nfs/dbraw/zinc/00/76/60/343007660.db2.gz MOVDBBLPJDDIKL-UHFFFAOYSA-N 1 0 197.281 3.121 50 0 in-vitro AGAARO Cc1ccccc1-c1ccccc1C[NH3+] 5753012 343007676 /nfs/dbraw/zinc/00/76/76/343007676.db2.gz KMKYKXAYRUYGKI-UHFFFAOYSA-N 1 0 197.281 3.121 50 0 AGAARO Cc1cccc(-c2cccc(C[NH3+])c2)c1 5751986 343007714 /nfs/dbraw/zinc/00/77/14/343007714.db2.gz AGGZISMRXHKDJE-UHFFFAOYSA-N 1 0 197.281 3.121 50 0 in-vitro AGAARO CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 5907920 343009742 /nfs/dbraw/zinc/00/97/42/343009742.db2.gz DZPDICODYXMPSW-VIFPVBQESA-N 1 0 197.709 3.228 50 0 AGAARO CCCC[NH2+]Cc1ccccc1Cl 5973592 343010671 /nfs/dbraw/zinc/01/06/71/343010671.db2.gz PUEUFOKKVOOXEW-UHFFFAOYSA-N 1 0 197.709 3.230 50 0 in-vitro AGAARO CC1=CC(C)=[NH+]c2ccccc2N1 6245754 343013539 /nfs/dbraw/zinc/01/35/39/343013539.db2.gz GRSQZGQYBQLHAW-UHFFFAOYSA-N 1 0 172.231 3.108 50 0 AGAARO CC(C)[NH2+]Cc1cccc2ccccc12 6883985 343016815 /nfs/dbraw/zinc/01/68/15/343016815.db2.gz LIMYPCKNYIHPHN-UHFFFAOYSA-N 1 0 199.297 3.338 50 0 AGAARO CCCC[NH2+]C/C=C/c1ccccc1 7261605 343017058 /nfs/dbraw/zinc/01/70/58/343017058.db2.gz AZZYKBHEGUJORL-JXMROGBWSA-N 1 0 189.302 3.090 50 0 in-vitro AGAARO CCCCC[NH2+][C@H]1CCCC[C@@H]1C 7261391 343017081 /nfs/dbraw/zinc/01/70/81/343017081.db2.gz MYAYMPPVDZMHOS-RYUDHWBXSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+]Cc1ccc(C)cc1 7261302 343017117 /nfs/dbraw/zinc/01/71/17/343017117.db2.gz VFWFEBPPAFNYGI-UHFFFAOYSA-N 1 0 191.318 3.275 50 0 AGAARO CCC[NH2+]Cc1ccc(C(C)C)cc1 7262374 343017265 /nfs/dbraw/zinc/01/72/65/343017265.db2.gz VVGSVYBBIVQOMK-UHFFFAOYSA-N 1 0 191.318 3.310 50 0 in-vitro AGAARO CCCCC[NH2+][C@@H]1CCC[C@H](C)C1 7261374 343017343 /nfs/dbraw/zinc/01/73/43/343017343.db2.gz MKQYLHQDVAUFIW-NWDGAFQWSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+][C@@H]1CCC[C@@H](C)C1 7261375 343017345 /nfs/dbraw/zinc/01/73/45/343017345.db2.gz MKQYLHQDVAUFIW-VXGBXAGGSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+][C@H]1CCCC[C@H]1C 7261392 343017361 /nfs/dbraw/zinc/01/73/61/343017361.db2.gz MYAYMPPVDZMHOS-NEPJUHHUSA-N 1 0 183.339 3.345 50 0 AGAARO CCCCC[NH2+][C@@H]1CCCC[C@@H]1C 7261372 343017371 /nfs/dbraw/zinc/01/73/71/343017371.db2.gz MYAYMPPVDZMHOS-NWDGAFQWSA-N 1 0 183.339 3.345 50 0 AGAARO CCc1ccc(C[NH2+][C@H](C)CC)cc1 8337997 343018104 /nfs/dbraw/zinc/01/81/04/343018104.db2.gz WDOYVFQXHDQETM-LLVKDONJSA-N 1 0 191.318 3.137 50 0 in-vitro AGAARO CC[C@H](C)[NH2+]Cc1ccccc1Cl 8326788 343018112 /nfs/dbraw/zinc/01/81/12/343018112.db2.gz AXSGEXKTBMNPPT-VIFPVBQESA-N 1 0 197.709 3.228 50 0 in-vitro AGAARO CCc1ccc(C[NH2+][C@@H](C)CC)cc1 8337992 343018181 /nfs/dbraw/zinc/01/81/81/343018181.db2.gz WDOYVFQXHDQETM-NSHDSACASA-N 1 0 191.318 3.137 50 0 in-vitro AGAARO CCc1ccc(C[NH2+]C(C)(C)C)cc1 8337945 343018233 /nfs/dbraw/zinc/01/82/33/343018233.db2.gz LHRKMPXZPPPZPW-UHFFFAOYSA-N 1 0 191.318 3.137 50 0 in-vitro AGAARO CC[C@H](C)[NH2+]C/C=C/c1ccccc1 8326603 343018272 /nfs/dbraw/zinc/01/82/72/343018272.db2.gz MJMCOLLHJAVQPY-PMDBQALLSA-N 1 0 189.302 3.088 50 0 in-vitro AGAARO CC[C@H](C)[NH2+]Cc1cccc(Cl)c1 8326762 343018282 /nfs/dbraw/zinc/01/82/82/343018282.db2.gz PUOXRXNYHSXDSP-VIFPVBQESA-N 1 0 197.709 3.228 50 0 in-vitro AGAARO CCCC[NH2+]C[C@@H](C)c1ccccc1 10474016 343022044 /nfs/dbraw/zinc/02/20/44/343022044.db2.gz ZGUSCROIFKOBSN-GFCCVEGCSA-N 1 0 191.318 3.180 50 0 AGAARO CCCC[NH2+]C[C@H](C)c1ccccc1 10474019 343022214 /nfs/dbraw/zinc/02/22/14/343022214.db2.gz ZGUSCROIFKOBSN-LBPRGKRZSA-N 1 0 191.318 3.180 50 0 AGAARO CCC(C)(C)[NH2+]CCc1ccccc1 13718404 343036704 /nfs/dbraw/zinc/03/67/04/343036704.db2.gz GFKALYSCFDXODM-UHFFFAOYSA-N 1 0 191.318 3.007 50 0 AGAARO CCC(C)(C)[NH2+]Cc1ccc(C)cc1 13717808 343036739 /nfs/dbraw/zinc/03/67/39/343036739.db2.gz FJWQQRXDMCRSCY-UHFFFAOYSA-N 1 0 191.318 3.273 50 0 AGAARO Cc1ccc(C[NH2+]CCC(C)C)cc1 13717807 343036972 /nfs/dbraw/zinc/03/69/72/343036972.db2.gz BJBLWUAGRUHRPB-UHFFFAOYSA-N 1 0 191.318 3.131 50 0 AGAARO CCC(C)(C)[NH2+]Cc1ccc(F)cc1 13717866 343036991 /nfs/dbraw/zinc/03/69/91/343036991.db2.gz OMFWKFGAVYHQMD-UHFFFAOYSA-N 1 0 195.281 3.104 50 0 AGAARO CCCC[NH2+]C1CCCCCC1 19091351 343050353 /nfs/dbraw/zinc/05/03/53/343050353.db2.gz UAEMGQGRVOWQKX-UHFFFAOYSA-N 1 0 169.312 3.099 50 0 AGAARO CCC(CC)[NH2+]C1CCCCCC1 19093838 343051090 /nfs/dbraw/zinc/05/10/90/343051090.db2.gz GBRBSIOOKRVTQD-UHFFFAOYSA-N 1 0 183.339 3.487 50 0 in-vitro AGAARO C[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 19093832 343051184 /nfs/dbraw/zinc/05/11/84/343051184.db2.gz ZAYHAPKVIWMDAG-CMPLNLGQSA-N 1 0 181.323 3.097 50 0 in-vitro AGAARO Cc1ccc([C@H](C)[NH2+]C2CC2)cc1C 19267374 343052374 /nfs/dbraw/zinc/05/23/74/343052374.db2.gz LQWUZZYWHGAAQO-NSHDSACASA-N 1 0 189.302 3.116 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]C2CC2)cc1C 19267372 343052547 /nfs/dbraw/zinc/05/25/47/343052547.db2.gz LQWUZZYWHGAAQO-LLVKDONJSA-N 1 0 189.302 3.116 50 0 AGAARO CCCC(CCC)[NH2+]Cc1ccco1 19398125 343053889 /nfs/dbraw/zinc/05/38/89/343053889.db2.gz VEULILFWVRGPBG-UHFFFAOYSA-N 1 0 195.306 3.338 50 0 AGAARO CCc1ccc([C@H](C)[NH2+]C2CC2)cc1 19389261 343054073 /nfs/dbraw/zinc/05/40/73/343054073.db2.gz HOZSUSJOGZCLTG-JTQLQIEISA-N 1 0 189.302 3.062 50 0 AGAARO Cc1cccc([C@@H]([NH3+])c2ccccc2)c1 19414272 343054753 /nfs/dbraw/zinc/05/47/53/343054753.db2.gz OLWWNHQOJUELFD-AWEZNQCLSA-N 1 0 197.281 3.043 50 0 in-vitro AGAARO CCC(CC)[C@H]([NH3+])c1ccccc1 19414224 343054759 /nfs/dbraw/zinc/05/47/59/343054759.db2.gz SVTUEYIAFUBWHQ-LBPRGKRZSA-N 1 0 177.291 3.123 50 0 in-vitro AGAARO Cc1cccc([C@H]([NH3+])c2ccccc2)c1 19414274 343054770 /nfs/dbraw/zinc/05/47/70/343054770.db2.gz OLWWNHQOJUELFD-CQSZACIVSA-N 1 0 197.281 3.043 50 0 in-vitro AGAARO CCC(CC)[C@@H]([NH3+])c1ccccc1 19414222 343054799 /nfs/dbraw/zinc/05/47/99/343054799.db2.gz SVTUEYIAFUBWHQ-GFCCVEGCSA-N 1 0 177.291 3.123 50 0 in-vitro AGAARO Cc1ccc([C@H]([NH3+])CC(C)C)cc1 19421138 343054830 /nfs/dbraw/zinc/05/48/30/343054830.db2.gz YJBJUTNBLZJNOP-GFCCVEGCSA-N 1 0 177.291 3.041 50 0 AGAARO Cc1ccc([C@@H]([NH3+])CC(C)C)cc1 19421140 343054848 /nfs/dbraw/zinc/05/48/48/343054848.db2.gz YJBJUTNBLZJNOP-LBPRGKRZSA-N 1 0 177.291 3.041 50 0 AGAARO CCC[NH2+][C@@H](CC)c1ccccc1 19504442 343056515 /nfs/dbraw/zinc/05/65/15/343056515.db2.gz RETZQHBNHAXSEH-LBPRGKRZSA-N 1 0 177.291 3.137 50 0 in-vitro AGAARO CCC[NH2+][C@@H](C)c1ccccc1C 19505080 343056700 /nfs/dbraw/zinc/05/67/00/343056700.db2.gz UQBHXDVSTUBYAJ-NSHDSACASA-N 1 0 177.291 3.056 50 0 AGAARO CC(C)c1ccc(C(C)(C)[NH3+])cc1 19673385 343057996 /nfs/dbraw/zinc/05/79/96/343057996.db2.gz QLPUSPFGQGTVFR-UHFFFAOYSA-N 1 0 177.291 3.004 50 0 in-vitro AGAARO CC(C)[C@@H](C[NH3+])c1ccc(Cl)cc1 19726141 343058921 /nfs/dbraw/zinc/05/89/21/343058921.db2.gz HDLGBFKNOWNBSB-LLVKDONJSA-N 1 0 197.709 3.038 50 0 in-vitro AGAARO CC(C)[C@H](C[NH3+])c1ccc(Cl)cc1 19726142 343058942 /nfs/dbraw/zinc/05/89/42/343058942.db2.gz HDLGBFKNOWNBSB-NSHDSACASA-N 1 0 197.709 3.038 50 0 in-vitro AGAARO CC(C)c1ccc2c(c1)[C@H]([NH3+])CCC2 19727415 343058961 /nfs/dbraw/zinc/05/89/61/343058961.db2.gz OCBDRVCHJOXUIF-CYBMUJFWSA-N 1 0 189.302 3.146 50 0 AGAARO CCC[NH2+][C@@H]1CCCc2ccccc21 19809458 343060683 /nfs/dbraw/zinc/06/06/83/343060683.db2.gz ZCMVISDWWMVJDW-CYBMUJFWSA-N 1 0 189.302 3.064 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccccc1Cl 19807381 343060713 /nfs/dbraw/zinc/06/07/13/343060713.db2.gz YSKIAPOYZNYIMV-VIFPVBQESA-N 1 0 197.709 3.401 50 0 AGAARO CCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 19807432 343060756 /nfs/dbraw/zinc/06/07/56/343060756.db2.gz WWDACLZAEKMYJW-WDEREUQCSA-N 1 0 183.339 3.201 50 0 AGAARO CCC[NH2+]Cc1ccc2ccccc2c1 19807356 343060759 /nfs/dbraw/zinc/06/07/59/343060759.db2.gz RCWFTXDLECHWKC-UHFFFAOYSA-N 1 0 199.297 3.339 50 0 AGAARO CCC[NH2+]Cc1c(C)cc(C)cc1C 19807360 343060776 /nfs/dbraw/zinc/06/07/76/343060776.db2.gz NRKSWMGIGWJDDC-UHFFFAOYSA-N 1 0 191.318 3.111 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 19807379 343060787 /nfs/dbraw/zinc/06/07/87/343060787.db2.gz RNVHSKIDXUZHBA-VIFPVBQESA-N 1 0 197.709 3.401 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccc(C)cc1C 19807410 343060789 /nfs/dbraw/zinc/06/07/89/343060789.db2.gz FHDRPYFTGKMISN-LBPRGKRZSA-N 1 0 191.318 3.364 50 0 AGAARO Cc1ccc([C@H]2[NH2+]CCC[C@@H]2C)cc1 19808190 343060793 /nfs/dbraw/zinc/06/07/93/343060793.db2.gz HKWHMGVCYMBYQB-AAEUAGOBSA-N 1 0 189.302 3.056 50 0 in-vitro AGAARO CCC[NH2+][C@@H](C)c1cccc(Cl)c1 19807428 343060853 /nfs/dbraw/zinc/06/08/53/343060853.db2.gz CNJIXGBJEBBEOJ-VIFPVBQESA-N 1 0 197.709 3.401 50 0 AGAARO CCC[NH2+][C@@H](CC)c1ccc(F)cc1 19807399 343060858 /nfs/dbraw/zinc/06/08/58/343060858.db2.gz UAIGNRVOMHZCAK-LBPRGKRZSA-N 1 0 195.281 3.276 50 0 AGAARO Cc1ccc([C@H]2[NH2+]CCC[C@H]2C)cc1 19808188 343060881 /nfs/dbraw/zinc/06/08/81/343060881.db2.gz HKWHMGVCYMBYQB-YPMHNXCESA-N 1 0 189.302 3.056 50 0 in-vitro AGAARO Cc1ccc([C@@H]2[NH2+]CCC[C@@H]2C)cc1 19808194 343060885 /nfs/dbraw/zinc/06/08/85/343060885.db2.gz HKWHMGVCYMBYQB-WCQYABFASA-N 1 0 189.302 3.056 50 0 in-vitro AGAARO CC[C@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1 19804100 343060890 /nfs/dbraw/zinc/06/08/90/343060890.db2.gz WHVMBRDHYOGMIZ-GZMMTYOYSA-N 1 0 197.709 3.386 50 0 in-vitro AGAARO CCC[NH2+][C@H](CC)c1ccc(F)cc1 19807400 343060936 /nfs/dbraw/zinc/06/09/36/343060936.db2.gz UAIGNRVOMHZCAK-GFCCVEGCSA-N 1 0 195.281 3.276 50 0 AGAARO CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 19807435 343060968 /nfs/dbraw/zinc/06/09/68/343060968.db2.gz BWCFEBAFUXQTER-LBPRGKRZSA-N 1 0 191.318 3.364 50 0 AGAARO CC[C@H](C)[C@H]([NH3+])c1ccc(Cl)cc1 19804102 343060995 /nfs/dbraw/zinc/06/09/95/343060995.db2.gz WHVMBRDHYOGMIZ-KWQFWETISA-N 1 0 197.709 3.386 50 0 in-vitro AGAARO CCC(CC)[C@@H]([NH3+])c1cccs1 19841844 343062047 /nfs/dbraw/zinc/06/20/47/343062047.db2.gz VPHYOKIJYFKRHQ-SNVBAGLBSA-N 1 0 183.320 3.184 50 0 in-vitro AGAARO CCC(CC)[C@H]([NH3+])c1cccs1 19841847 343062055 /nfs/dbraw/zinc/06/20/55/343062055.db2.gz VPHYOKIJYFKRHQ-JTQLQIEISA-N 1 0 183.320 3.184 50 0 in-vitro AGAARO CCC(C)(C)[NH2+]Cc1cccc(F)c1 19879722 343062854 /nfs/dbraw/zinc/06/28/54/343062854.db2.gz ZTNXZTJWEBWMNK-UHFFFAOYSA-N 1 0 195.281 3.104 50 0 AGAARO CC(C)[NH2+][C@@H](C)CCc1ccccc1 19880490 343062858 /nfs/dbraw/zinc/06/28/58/343062858.db2.gz TVRDURQSCJHQCY-LBPRGKRZSA-N 1 0 191.318 3.006 50 0 AGAARO CC[C@H]([NH2+]C(C)C)c1ccc(C)cc1 19880839 343062866 /nfs/dbraw/zinc/06/28/66/343062866.db2.gz NLFRSBFQRGSFRK-ZDUSSCGKSA-N 1 0 191.318 3.444 50 0 AGAARO CC(C)[NH2+][C@@H](C)c1ccccc1Cl 19880519 343062914 /nfs/dbraw/zinc/06/29/14/343062914.db2.gz ACHMTTKMRFPBCU-VIFPVBQESA-N 1 0 197.709 3.399 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1 19878420 343062945 /nfs/dbraw/zinc/06/29/45/343062945.db2.gz ZMZIQRWISWNDFB-NWDGAFQWSA-N 1 0 191.318 3.382 50 0 AGAARO C[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 19878885 343062955 /nfs/dbraw/zinc/06/29/55/343062955.db2.gz IPQRVOIHJBWUEL-AAEUAGOBSA-N 1 0 195.350 3.487 50 0 AGAARO CC[C@@H]([NH2+]C(C)C)c1ccc(F)cc1 19880655 343062958 /nfs/dbraw/zinc/06/29/58/343062958.db2.gz GSUYUXNRMHWZQM-GFCCVEGCSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@H]([NH2+]C(C)C)c1ccc(F)cc1 19880658 343062961 /nfs/dbraw/zinc/06/29/61/343062961.db2.gz GSUYUXNRMHWZQM-LBPRGKRZSA-N 1 0 195.281 3.275 50 0 AGAARO C[C@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 19878895 343062963 /nfs/dbraw/zinc/06/29/63/343062963.db2.gz VZMMRZKEPUBVML-WCQYABFASA-N 1 0 195.350 3.487 50 0 AGAARO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 19878414 343062965 /nfs/dbraw/zinc/06/29/65/343062965.db2.gz ZMZIQRWISWNDFB-NEPJUHHUSA-N 1 0 191.318 3.382 50 0 AGAARO CC(C)[NH2+][C@H](C)c1ccccc1Cl 19880521 343062988 /nfs/dbraw/zinc/06/29/88/343062988.db2.gz ACHMTTKMRFPBCU-SECBINFHSA-N 1 0 197.709 3.399 50 0 AGAARO CC(C)[NH2+][C@@H](C)c1cccc(Cl)c1 19880930 343063001 /nfs/dbraw/zinc/06/30/01/343063001.db2.gz IDEIRJKKEKDZEH-VIFPVBQESA-N 1 0 197.709 3.399 50 0 AGAARO CC(C)[NH2+][C@@H](C)c1ccc(F)cc1F 19880823 343063004 /nfs/dbraw/zinc/06/30/04/343063004.db2.gz YHISYOBHGSQUQS-QMMMGPOBSA-N 1 0 199.244 3.024 50 0 AGAARO CC(C)[NH2+][C@@H](C)c1cc(F)ccc1F 19880888 343063006 /nfs/dbraw/zinc/06/30/06/343063006.db2.gz AXTPWMDRHUSTJO-QMMMGPOBSA-N 1 0 199.244 3.024 50 0 AGAARO CC(C)[NH2+]Cc1ccc2ccccc2c1 19880344 343063009 /nfs/dbraw/zinc/06/30/09/343063009.db2.gz TWSYFYMXABOVNG-UHFFFAOYSA-N 1 0 199.297 3.338 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]C(C)C)c(C)c1 19880780 343063016 /nfs/dbraw/zinc/06/30/16/343063016.db2.gz LAKLVUHFOQUNIU-GFCCVEGCSA-N 1 0 191.318 3.362 50 0 AGAARO CC(C)[NH2+][C@H](C)c1ccc(F)cc1F 19880826 343063051 /nfs/dbraw/zinc/06/30/51/343063051.db2.gz YHISYOBHGSQUQS-MRVPVSSYSA-N 1 0 199.244 3.024 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]C(C)C)cc1 19880504 343063055 /nfs/dbraw/zinc/06/30/55/343063055.db2.gz UDZKAAYUPKYKET-LLVKDONJSA-N 1 0 177.291 3.054 50 0 AGAARO CC(C)[NH2+][C@H](C)c1cccc(Cl)c1 19880934 343063068 /nfs/dbraw/zinc/06/30/68/343063068.db2.gz IDEIRJKKEKDZEH-SECBINFHSA-N 1 0 197.709 3.399 50 0 AGAARO CC(C)[NH2+][C@H](C)c1cc(F)ccc1F 19880890 343063076 /nfs/dbraw/zinc/06/30/76/343063076.db2.gz AXTPWMDRHUSTJO-MRVPVSSYSA-N 1 0 199.244 3.024 50 0 AGAARO CC[C@@H]([NH2+]C(C)C)c1ccccc1 19880506 343063088 /nfs/dbraw/zinc/06/30/88/343063088.db2.gz UIRHNVZMIFRCLF-GFCCVEGCSA-N 1 0 177.291 3.136 50 0 in-vitro AGAARO Cc1cc(C)c(C[NH2+]C(C)C)c(C)c1 19880369 343063103 /nfs/dbraw/zinc/06/31/03/343063103.db2.gz GDSZPSKMCVPOKU-UHFFFAOYSA-N 1 0 191.318 3.110 50 0 AGAARO CC[C@@H]([NH2+]C(C)C)c1ccc(C)cc1 19880836 343063109 /nfs/dbraw/zinc/06/31/09/343063109.db2.gz NLFRSBFQRGSFRK-CYBMUJFWSA-N 1 0 191.318 3.444 50 0 AGAARO Cc1ccc([C@H](C)[NH2+]CC(C)C)s1 19883280 343063212 /nfs/dbraw/zinc/06/32/12/343063212.db2.gz GIXBULLTZSRDQZ-JTQLQIEISA-N 1 0 197.347 3.363 50 0 AGAARO CCC1CCC([NH2+][C@H](C)CC)CC1 19881898 343063217 /nfs/dbraw/zinc/06/32/17/343063217.db2.gz ULQPBXIWMXCFCD-VOMCLLRMSA-N 1 0 183.339 3.343 50 0 AGAARO CCC1CCC([NH2+][C@@H](C)CC)CC1 19881896 343063220 /nfs/dbraw/zinc/06/32/20/343063220.db2.gz ULQPBXIWMXCFCD-UNXYVOJBSA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 19882770 343063250 /nfs/dbraw/zinc/06/32/50/343063250.db2.gz JRAIXXDRASKUJU-UWVGGRQHSA-N 1 0 195.281 3.275 50 0 AGAARO Cc1ccc([C@H](C)[NH2+]C(C)C)s1 19881034 343063260 /nfs/dbraw/zinc/06/32/60/343063260.db2.gz FKQAGTBEMOSUDG-VIFPVBQESA-N 1 0 183.320 3.116 50 0 AGAARO CC(C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 19880976 343063282 /nfs/dbraw/zinc/06/32/82/343063282.db2.gz MKNPKGZWOKLMOF-WDEREUQCSA-N 1 0 183.339 3.199 50 0 AGAARO C[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 19883351 343063294 /nfs/dbraw/zinc/06/32/94/343063294.db2.gz PAQLDQOYPFVEQQ-CMPLNLGQSA-N 1 0 181.323 3.097 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 19882274 343063302 /nfs/dbraw/zinc/06/33/02/343063302.db2.gz VEGUDDGUQKLKGD-WPRPVWTQSA-N 1 0 181.279 3.037 50 0 AGAARO CC[C@H](C)[NH2+][C@H]1CCc2ccccc21 19882270 343063311 /nfs/dbraw/zinc/06/33/11/343063311.db2.gz AGRBDBHPYXNIKV-GWCFXTLKSA-N 1 0 189.302 3.062 50 0 AGAARO CC(C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 19880982 343063319 /nfs/dbraw/zinc/06/33/19/343063319.db2.gz MKNPKGZWOKLMOF-QWRGUYRKSA-N 1 0 183.339 3.199 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]CC(C)C)s1 19883281 343063324 /nfs/dbraw/zinc/06/33/24/343063324.db2.gz GIXBULLTZSRDQZ-SNVBAGLBSA-N 1 0 197.347 3.363 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 19882010 343063343 /nfs/dbraw/zinc/06/33/43/343063343.db2.gz RZAQGESWNUCEEY-NWDGAFQWSA-N 1 0 191.318 3.444 50 0 AGAARO Cc1ccc(C[NH2+]CC(C)C)c(C)c1 19882911 343063363 /nfs/dbraw/zinc/06/33/63/343063363.db2.gz DFKGYDVQBKHVBJ-UHFFFAOYSA-N 1 0 191.318 3.049 50 0 in-vitro AGAARO CC[C@H]([NH2+]CC(C)C)c1ccccc1 19883011 343063367 /nfs/dbraw/zinc/06/33/67/343063367.db2.gz CHKAGFZILMAFOC-ZDUSSCGKSA-N 1 0 191.318 3.383 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 19882278 343063370 /nfs/dbraw/zinc/06/33/70/343063370.db2.gz VEGUDDGUQKLKGD-WCBMZHEXSA-N 1 0 181.279 3.037 50 0 AGAARO CCc1ccc([C@H](C)[NH2+]C(C)C)cc1 19881019 343063374 /nfs/dbraw/zinc/06/33/74/343063374.db2.gz AIQFPTSRLYVBGT-NSHDSACASA-N 1 0 191.318 3.308 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1C 19882501 343063401 /nfs/dbraw/zinc/06/34/01/343063401.db2.gz RIERGJCKGMBCCB-RYUDHWBXSA-N 1 0 191.318 3.444 50 0 AGAARO Cc1ccc([C@H](C)[NH2+]C(C)C)cc1C 19881003 343063405 /nfs/dbraw/zinc/06/34/05/343063405.db2.gz IIVHQMIWCRVJOH-LBPRGKRZSA-N 1 0 191.318 3.362 50 0 AGAARO CCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 19881018 343063413 /nfs/dbraw/zinc/06/34/13/343063413.db2.gz AIQFPTSRLYVBGT-LLVKDONJSA-N 1 0 191.318 3.308 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)c1ccccc1C 19882507 343063419 /nfs/dbraw/zinc/06/34/19/343063419.db2.gz RIERGJCKGMBCCB-NWDGAFQWSA-N 1 0 191.318 3.444 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 19883007 343063437 /nfs/dbraw/zinc/06/34/37/343063437.db2.gz NMYWDRPHUCYOLW-GFCCVEGCSA-N 1 0 191.318 3.302 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1F 19882180 343063440 /nfs/dbraw/zinc/06/34/40/343063440.db2.gz BGMWTBZPONRDDP-UWVGGRQHSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)c1ccccc1F 19882183 343063462 /nfs/dbraw/zinc/06/34/62/343063462.db2.gz BGMWTBZPONRDDP-VHSXEESVSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)c1cccs1 19882160 343063466 /nfs/dbraw/zinc/06/34/66/343063466.db2.gz CXXGKFQAIYFDJC-DTWKUNHWSA-N 1 0 183.320 3.197 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 19882772 343063498 /nfs/dbraw/zinc/06/34/98/343063498.db2.gz JRAIXXDRASKUJU-VHSXEESVSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1cccs1 19882157 343063517 /nfs/dbraw/zinc/06/35/17/343063517.db2.gz CXXGKFQAIYFDJC-IUCAKERBSA-N 1 0 183.320 3.197 50 0 AGAARO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 19882006 343063519 /nfs/dbraw/zinc/06/35/19/343063519.db2.gz RZAQGESWNUCEEY-RYUDHWBXSA-N 1 0 191.318 3.444 50 0 AGAARO C[C@H]([NH2+]C1CCCC1)c1cccs1 19883447 343063521 /nfs/dbraw/zinc/06/35/21/343063521.db2.gz CYWQAZULKSEVIG-VIFPVBQESA-N 1 0 195.331 3.341 50 0 AGAARO CCC(CC)[NH2+]Cc1cccc(C)c1 19883743 343063534 /nfs/dbraw/zinc/06/35/34/343063534.db2.gz GKARMHGGIDVOBC-UHFFFAOYSA-N 1 0 191.318 3.273 50 0 AGAARO CCCCC[NH2+][C@H](C)c1ccc(C)o1 19901388 343063593 /nfs/dbraw/zinc/06/35/93/343063593.db2.gz OSHMZFFPAGHNAJ-LLVKDONJSA-N 1 0 195.306 3.429 50 0 AGAARO CCC(CC)[NH2+][C@H](C)c1ccc(C)o1 19883919 343063629 /nfs/dbraw/zinc/06/36/29/343063629.db2.gz BTTPWUICGPPGKF-SNVBAGLBSA-N 1 0 195.306 3.427 50 0 AGAARO CCC(CC)[NH2+]Cc1cccs1 19883779 343063778 /nfs/dbraw/zinc/06/37/78/343063778.db2.gz GNPCPAHFPLHTHU-UHFFFAOYSA-N 1 0 183.320 3.026 50 0 AGAARO CCCCC[NH2+][C@@H](C)c1ccc(C)o1 19901387 343063831 /nfs/dbraw/zinc/06/38/31/343063831.db2.gz OSHMZFFPAGHNAJ-NSHDSACASA-N 1 0 195.306 3.429 50 0 AGAARO CCCCC[NH2+]Cc1cccc(C)c1 19901239 343063871 /nfs/dbraw/zinc/06/38/71/343063871.db2.gz PWCMJSHCOREYRA-UHFFFAOYSA-N 1 0 191.318 3.275 50 0 AGAARO CCC(CC)[NH2+][C@@H](C)c1ccc(C)o1 19883917 343063899 /nfs/dbraw/zinc/06/38/99/343063899.db2.gz BTTPWUICGPPGKF-JTQLQIEISA-N 1 0 195.306 3.427 50 0 AGAARO CCCC[NH2+][C@@H](C)c1cccs1 19906994 343064013 /nfs/dbraw/zinc/06/40/13/343064013.db2.gz MNKPLGVKYGFNOG-VIFPVBQESA-N 1 0 183.320 3.199 50 0 AGAARO CCCC[NH2+][C@H](C)c1ccccc1C 19907060 343064034 /nfs/dbraw/zinc/06/40/34/343064034.db2.gz IUBIYHQARZNQDS-GFCCVEGCSA-N 1 0 191.318 3.446 50 0 AGAARO CCCC[NH2+][C@H](C)c1ccc(C)o1 19907018 343064066 /nfs/dbraw/zinc/06/40/66/343064066.db2.gz AKZGSNHKFAIWDO-SNVBAGLBSA-N 1 0 181.279 3.039 50 0 AGAARO CCCC[NH2+][C@@H](C)c1ccc(F)cc1 19907001 343064091 /nfs/dbraw/zinc/06/40/91/343064091.db2.gz GLLGGCPKMYWLCL-JTQLQIEISA-N 1 0 195.281 3.276 50 0 AGAARO CCCC[NH2+][C@H](C)c1cccs1 19906995 343064094 /nfs/dbraw/zinc/06/40/94/343064094.db2.gz MNKPLGVKYGFNOG-SECBINFHSA-N 1 0 183.320 3.199 50 0 AGAARO CCCC[NH2+][C@@H](C)c1ccccc1C 19907059 343064178 /nfs/dbraw/zinc/06/41/78/343064178.db2.gz IUBIYHQARZNQDS-LBPRGKRZSA-N 1 0 191.318 3.446 50 0 AGAARO CCCC[NH2+][C@@H](C)c1ccc(C)o1 19907017 343064195 /nfs/dbraw/zinc/06/41/95/343064195.db2.gz AKZGSNHKFAIWDO-JTQLQIEISA-N 1 0 181.279 3.039 50 0 AGAARO CCCC[NH2+][C@H]1CCc2ccccc21 19907016 343064286 /nfs/dbraw/zinc/06/42/86/343064286.db2.gz GCIIQHJDAYRIHA-ZDUSSCGKSA-N 1 0 189.302 3.064 50 0 AGAARO CCC(CC)[NH2+]C1CCC(C)CC1 19917883 343064433 /nfs/dbraw/zinc/06/44/33/343064433.db2.gz WILNXBOYGCZLMY-UHFFFAOYSA-N 1 0 183.339 3.343 50 0 AGAARO CC1CCC([NH2+][C@@H](C)C(C)C)CC1 19917919 343064478 /nfs/dbraw/zinc/06/44/78/343064478.db2.gz NUEKZGJCAXJXHB-CXQJBGSLSA-N 1 0 183.339 3.199 50 0 AGAARO CC1CCC([NH2+][C@H](C)C(C)C)CC1 19917921 343064653 /nfs/dbraw/zinc/06/46/53/343064653.db2.gz NUEKZGJCAXJXHB-MOENNCHZSA-N 1 0 183.339 3.199 50 0 AGAARO CCC(CC)[NH2+]CCc1cccs1 19948904 343065034 /nfs/dbraw/zinc/06/50/34/343065034.db2.gz CUDHFAKDRLNVEN-UHFFFAOYSA-N 1 0 197.347 3.069 50 0 AGAARO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 19963358 343065363 /nfs/dbraw/zinc/06/53/63/343065363.db2.gz USROIRBNYXPKKK-NOOOWODRSA-N 1 0 183.339 3.199 50 0 AGAARO CCC(CC)[NH2+]Cc1ccc(C)cc1 19962466 343065475 /nfs/dbraw/zinc/06/54/75/343065475.db2.gz OATZAVYXUNPTOW-UHFFFAOYSA-N 1 0 191.318 3.273 50 0 AGAARO CCCC[C@@H]([NH3+])c1ccc(C)cc1C 19971446 343065713 /nfs/dbraw/zinc/06/57/13/343065713.db2.gz NRYAWKHWJAFSAV-CYBMUJFWSA-N 1 0 191.318 3.493 50 0 AGAARO CCCC[C@H]([NH3+])c1ccc(C)cc1C 19971447 343065818 /nfs/dbraw/zinc/06/58/18/343065818.db2.gz NRYAWKHWJAFSAV-ZDUSSCGKSA-N 1 0 191.318 3.493 50 0 AGAARO Cc1ccc([C@H]([NH3+])CC(C)(C)C)s1 19969860 343066007 /nfs/dbraw/zinc/06/60/07/343066007.db2.gz AZAUIIYGGCSWSQ-SECBINFHSA-N 1 0 197.347 3.493 50 0 AGAARO CCCCC[NH2+][C@@H](C)[C@@H](C)CC 20086774 343067095 /nfs/dbraw/zinc/06/70/95/343067095.db2.gz VXADXJROTWOOIV-QWRGUYRKSA-N 1 0 171.328 3.201 50 0 AGAARO CCCCC[NH2+][C@@H](C)[C@H](C)CC 20086778 343067141 /nfs/dbraw/zinc/06/71/41/343067141.db2.gz VXADXJROTWOOIV-MNOVXSKESA-N 1 0 171.328 3.201 50 0 AGAARO CC[C@H](C)[C@@H](C)[NH2+]C1CCCCC1 20085377 343067214 /nfs/dbraw/zinc/06/72/14/343067214.db2.gz JEZQTLPBYNVMPT-WDEREUQCSA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@H](C)C[NH2+][C@@H](C)c1ccccc1 20085317 343067231 /nfs/dbraw/zinc/06/72/31/343067231.db2.gz VOWTWTNWYPEPNV-RYUDHWBXSA-N 1 0 191.318 3.383 50 0 AGAARO CCCC1CCC([NH2+]C(C)C)CC1 20085506 343067241 /nfs/dbraw/zinc/06/72/41/343067241.db2.gz PHGGDIFLJVWSNR-UHFFFAOYSA-N 1 0 183.339 3.343 50 0 in-vitro AGAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1 20086609 343067249 /nfs/dbraw/zinc/06/72/49/343067249.db2.gz QVYAZIIADKRQGY-NWDGAFQWSA-N 1 0 191.318 3.211 50 0 AGAARO CCCCC[NH2+][C@H](C)[C@@H](C)CC 20086776 343067281 /nfs/dbraw/zinc/06/72/81/343067281.db2.gz VXADXJROTWOOIV-WDEREUQCSA-N 1 0 171.328 3.201 50 0 AGAARO CC[C@H](C)[C@H](C)[NH2+]C1CCCCC1 20085379 343067306 /nfs/dbraw/zinc/06/73/06/343067306.db2.gz JEZQTLPBYNVMPT-QWRGUYRKSA-N 1 0 183.339 3.343 50 0 AGAARO CCCC1CCC([NH2+]C2CC2)CC1 20082977 343067332 /nfs/dbraw/zinc/06/73/32/343067332.db2.gz RXIZFDOBOMYYKT-UHFFFAOYSA-N 1 0 181.323 3.097 50 0 AGAARO CC[C@H](C)[C@@H](C)[NH2+]CCC(C)C 20088727 343067566 /nfs/dbraw/zinc/06/75/66/343067566.db2.gz RKNMFPKTFWSURB-WDEREUQCSA-N 1 0 171.328 3.057 50 0 AGAARO CC(C)[C@H](C)[NH2+]C1CCCCCC1 20122631 343067588 /nfs/dbraw/zinc/06/75/88/343067588.db2.gz OUPMAADIOUMJMY-NSHDSACASA-N 1 0 183.339 3.343 50 0 AGAARO CC(C)[C@@H](C)[NH2+]C1CCCCCC1 20122630 343067707 /nfs/dbraw/zinc/06/77/07/343067707.db2.gz OUPMAADIOUMJMY-LLVKDONJSA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@H](C)C[NH2+]Cc1ccc(C)cc1 20092177 343067831 /nfs/dbraw/zinc/06/78/31/343067831.db2.gz PERGKRKHDNGAIM-NSHDSACASA-N 1 0 191.318 3.131 50 0 AGAARO Cc1cccc(C[NH2+][C@@H](C)C(C)C)c1 20134117 343067986 /nfs/dbraw/zinc/06/79/86/343067986.db2.gz IQWAYWVWZXNIPH-LBPRGKRZSA-N 1 0 191.318 3.129 50 0 AGAARO Cc1cccc(C[NH2+][C@H](C)C(C)C)c1 20134114 343068086 /nfs/dbraw/zinc/06/80/86/343068086.db2.gz IQWAYWVWZXNIPH-GFCCVEGCSA-N 1 0 191.318 3.129 50 0 AGAARO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccs1 20148334 343068036 /nfs/dbraw/zinc/06/80/36/343068036.db2.gz UZIQEUHYLKMDOL-NXEZZACHSA-N 1 0 197.347 3.443 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccs1 20148333 343068058 /nfs/dbraw/zinc/06/80/58/343068058.db2.gz UZIQEUHYLKMDOL-UWVGGRQHSA-N 1 0 197.347 3.443 50 0 AGAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccs1 20139600 343068171 /nfs/dbraw/zinc/06/81/71/343068171.db2.gz GEEVXMUBNLQHLD-VHSXEESVSA-N 1 0 197.347 3.272 50 0 AGAARO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccs1 20148332 343068240 /nfs/dbraw/zinc/06/82/40/343068240.db2.gz UZIQEUHYLKMDOL-ZJUUUORDSA-N 1 0 197.347 3.443 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@H](C)c1cccs1 20148335 343068252 /nfs/dbraw/zinc/06/82/52/343068252.db2.gz UZIQEUHYLKMDOL-VHSXEESVSA-N 1 0 197.347 3.443 50 0 AGAARO CCC(CC)C[NH2+]Cc1cccs1 20138905 343068255 /nfs/dbraw/zinc/06/82/55/343068255.db2.gz MKQKGSCOVGEHEQ-UHFFFAOYSA-N 1 0 197.347 3.274 50 0 AGAARO Cc1ccc([C@H]([NH3+])CCC(C)C)cc1 20252099 343069953 /nfs/dbraw/zinc/06/99/53/343069953.db2.gz JMNLQMLBJJCMEM-CYBMUJFWSA-N 1 0 191.318 3.431 50 0 AGAARO CC1(C)C[C@]2(C=[NH+]CCC2)CCS1 20291357 343071042 /nfs/dbraw/zinc/07/10/42/343071042.db2.gz ODUDOSYPJVDOBK-LLVKDONJSA-N 1 0 197.347 3.143 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 20306255 343071693 /nfs/dbraw/zinc/07/16/93/343071693.db2.gz OLTGEHMMQVEMTP-WOPDTQHZSA-N 1 0 183.339 3.199 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)o1 20523174 343073845 /nfs/dbraw/zinc/07/38/45/343073845.db2.gz BMWJDPGSSCBGDH-WDEREUQCSA-N 1 0 195.306 3.283 50 0 AGAARO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)o1 20523168 343074011 /nfs/dbraw/zinc/07/40/11/343074011.db2.gz BMWJDPGSSCBGDH-MNOVXSKESA-N 1 0 195.306 3.283 50 0 AGAARO CC(C)[C@H]([NH3+])c1cc2ccccc2o1 20592709 343074268 /nfs/dbraw/zinc/07/42/68/343074268.db2.gz UXXIDXQZKJWBET-LBPRGKRZSA-N 1 0 189.258 3.089 50 0 AGAARO CC(C)[C@@H]([NH3+])c1cc2ccccc2o1 20592708 343074290 /nfs/dbraw/zinc/07/42/90/343074290.db2.gz UXXIDXQZKJWBET-GFCCVEGCSA-N 1 0 189.258 3.089 50 0 AGAARO CC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C 21505887 343075558 /nfs/dbraw/zinc/07/55/58/343075558.db2.gz CMHJODCOLJHWPV-SRVKXCTJSA-N 1 0 183.339 3.201 50 0 AGAARO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C 21505884 343075613 /nfs/dbraw/zinc/07/56/13/343075613.db2.gz CMHJODCOLJHWPV-SDDRHHMPSA-N 1 0 183.339 3.201 50 0 AGAARO CCc1c([C@@H](C)[NH3+])oc2ccccc12 21949703 343076013 /nfs/dbraw/zinc/07/60/13/343076013.db2.gz LMMKSIKDRVVLKF-MRVPVSSYSA-N 1 0 189.258 3.015 50 0 in-vitro AGAARO CCc1c([C@H](C)[NH3+])oc2ccccc12 21949705 343076080 /nfs/dbraw/zinc/07/60/80/343076080.db2.gz LMMKSIKDRVVLKF-QMMMGPOBSA-N 1 0 189.258 3.015 50 0 in-vitro AGAARO CC[C@@H]([NH2+]C1CC1)c1ccc(C)cc1 21966762 343076360 /nfs/dbraw/zinc/07/63/60/343076360.db2.gz LCQDEZVFDHPHFL-CYBMUJFWSA-N 1 0 189.302 3.198 50 0 AGAARO CC[C@H]([NH2+]C1CC1)c1ccc(C)cc1 21966768 343076569 /nfs/dbraw/zinc/07/65/69/343076569.db2.gz LCQDEZVFDHPHFL-ZDUSSCGKSA-N 1 0 189.302 3.198 50 0 AGAARO Cc1ccc([C@@H](C)[NH2+]C2CC2)c(C)c1 22141854 343079083 /nfs/dbraw/zinc/07/90/83/343079083.db2.gz OLGCKDZDYYXSOA-LLVKDONJSA-N 1 0 189.302 3.116 50 0 AGAARO CCC(C)(C)C1CCC([NH2+]C)CC1 22141807 343079356 /nfs/dbraw/zinc/07/93/56/343079356.db2.gz PFHWQNJQXCYMJM-UHFFFAOYSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC1 22147446 343079715 /nfs/dbraw/zinc/07/97/15/343079715.db2.gz BIPLQSUPZWDUMA-RTXFEEFZSA-N 1 0 195.350 3.199 50 0 AGAARO C[C@H]([NH3+])c1cccc(-c2ccccc2)c1 28224893 343091650 /nfs/dbraw/zinc/09/16/50/343091650.db2.gz CHKUZHZWJGZNBC-NSHDSACASA-N 1 0 197.281 3.373 50 0 AGAARO CCCC1([NH2+]CC)CCCCC1 32154114 343098725 /nfs/dbraw/zinc/09/87/25/343098725.db2.gz YYYRTAOQDSZFFZ-UHFFFAOYSA-N 1 0 169.312 3.099 50 0 AGAARO Cc1c([C@@H](C)[NH3+])sc2ccccc12 32625180 343102610 /nfs/dbraw/zinc/10/26/10/343102610.db2.gz UXKMJXGBXBAIJA-MRVPVSSYSA-N 1 0 191.299 3.229 50 0 in-vitro AGAARO Cc1c([C@H](C)[NH3+])sc2ccccc12 32625181 343102774 /nfs/dbraw/zinc/10/27/74/343102774.db2.gz UXKMJXGBXBAIJA-QMMMGPOBSA-N 1 0 191.299 3.229 50 0 in-vitro AGAARO CCCCCC1CCC([NH3+])CC1 34154404 343112224 /nfs/dbraw/zinc/11/22/24/343112224.db2.gz NQEVYZKSODGUEK-UHFFFAOYSA-N 1 0 169.312 3.084 50 0 AGAARO CC[C@@H]([NH3+])c1cccc2ccccc12 34411892 343118694 /nfs/dbraw/zinc/11/86/94/343118694.db2.gz JJYPGFPZTOUPHN-CYBMUJFWSA-N 1 0 185.270 3.250 50 0 AGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1 34541049 343121444 /nfs/dbraw/zinc/12/14/44/343121444.db2.gz IGOHZRWAEINEMC-LBPRGKRZSA-N 1 0 189.302 3.061 50 0 AGAARO Cc1cc([C@H]([NH3+])C(C)C)c(C)s1 34938894 343126134 /nfs/dbraw/zinc/12/61/34/343126134.db2.gz VQMVKORSVCTELW-SNVBAGLBSA-N 1 0 183.320 3.021 50 0 in-vitro AGAARO Cc1cc(C)c(C[NH2+]C(C)C)cc1C 34990807 343126944 /nfs/dbraw/zinc/12/69/44/343126944.db2.gz CPMDGMLDZDDWJD-UHFFFAOYSA-N 1 0 191.318 3.110 50 0 AGAARO CCC[NH2+]Cc1cc(C)c(C)cc1C 34991209 343127108 /nfs/dbraw/zinc/12/71/08/343127108.db2.gz TXWVXWKTONPIQJ-UHFFFAOYSA-N 1 0 191.318 3.111 50 0 AGAARO CCCC[NH2+]Cc1ccc(C)c(C)c1 34990940 343127269 /nfs/dbraw/zinc/12/72/69/343127269.db2.gz WARBQQHYTFIVHK-UHFFFAOYSA-N 1 0 191.318 3.193 50 0 AGAARO CC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 35042930 343127712 /nfs/dbraw/zinc/12/77/12/343127712.db2.gz VZXUIYSYHQPOJL-LBPRGKRZSA-N 1 0 191.318 3.192 50 0 AGAARO Cc1ccc(C[NH2+]C(C)(C)C)cc1C 35257228 343131017 /nfs/dbraw/zinc/13/10/17/343131017.db2.gz DHMRTUBKAWHZGU-UHFFFAOYSA-N 1 0 191.318 3.192 50 0 AGAARO CC(C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C 35439064 343132869 /nfs/dbraw/zinc/13/28/69/343132869.db2.gz CVSPPCVCFBKWLC-JHJVBQTASA-N 1 0 197.366 3.445 50 0 AGAARO CC[C@@H]([NH3+])CCC1CCCCC1 36683972 343148299 /nfs/dbraw/zinc/14/82/99/343148299.db2.gz XETZAXSJKQDQDH-LLVKDONJSA-N 1 0 169.312 3.084 50 0 in-vitro AGAARO CC[C@H]([NH3+])CCC1CCCCC1 36683971 343148328 /nfs/dbraw/zinc/14/83/28/343148328.db2.gz XETZAXSJKQDQDH-NSHDSACASA-N 1 0 169.312 3.084 50 0 in-vitro AGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC1 36874385 343151956 /nfs/dbraw/zinc/15/19/56/343151956.db2.gz BIPLQSUPZWDUMA-KGYLQXTDSA-N 1 0 195.350 3.199 50 0 AGAARO CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C 37021611 343157336 /nfs/dbraw/zinc/15/73/36/343157336.db2.gz BEBSPGROHXLRJS-WOPDTQHZSA-N 1 0 183.339 3.199 50 0 AGAARO C[C@H]([NH2+]CC1CCC1)c1ccccc1 37180148 343161900 /nfs/dbraw/zinc/16/19/00/343161900.db2.gz WWHFXZPZKIRVOJ-NSHDSACASA-N 1 0 189.302 3.137 50 0 in-vitro AGAARO CC(C)[C@@H]([NH2+]C1CC1)c1ccccc1 37183849 343162296 /nfs/dbraw/zinc/16/22/96/343162296.db2.gz JEKMUCRIIVILOB-CYBMUJFWSA-N 1 0 189.302 3.136 50 0 AGAARO CC[C@H](C)[NH2+][C@H](C)C1CCCCC1 37186536 343162433 /nfs/dbraw/zinc/16/24/33/343162433.db2.gz HXQSJDWEPJZLCU-WDEREUQCSA-N 1 0 183.339 3.343 50 0 AGAARO C[C@H]([NH2+]C1CCCC1)C1CCCCC1 37186858 343162458 /nfs/dbraw/zinc/16/24/58/343162458.db2.gz XPQSHOZHJYFJKA-NSHDSACASA-N 1 0 195.350 3.487 50 0 AGAARO CC(C)[C@H]([NH2+]C1CC1)c1ccccc1 37183848 343162503 /nfs/dbraw/zinc/16/25/03/343162503.db2.gz JEKMUCRIIVILOB-ZDUSSCGKSA-N 1 0 189.302 3.136 50 0 AGAARO CCCC[NH2+][C@@H](C)C1CCCCC1 37197956 343162589 /nfs/dbraw/zinc/16/25/89/343162589.db2.gz QZPGYUBPGMWJQX-NSHDSACASA-N 1 0 183.339 3.345 50 0 AGAARO CC[C@H]([NH2+]Cc1cccs1)C(C)C 37231962 343163241 /nfs/dbraw/zinc/16/32/41/343163241.db2.gz VJGBAQPYMGSAPA-NSHDSACASA-N 1 0 197.347 3.272 50 0 AGAARO Cc1cccc([C@H]([NH3+])C(C)(C)C)c1 37467035 343169572 /nfs/dbraw/zinc/16/95/72/343169572.db2.gz YNRFBIYHHSTFGJ-NSHDSACASA-N 1 0 177.291 3.041 50 0 in-vitro AGAARO CC(C)Sc1ccc([C@H](C)[NH3+])cc1 37492263 343171853 /nfs/dbraw/zinc/17/18/53/343171853.db2.gz LRDXHVBIGLAVCI-VIFPVBQESA-N 1 0 195.331 3.207 50 0 in-vitro AGAARO CC[C@H]([NH2+]C1CCCCC1)C(C)C 37509867 343172338 /nfs/dbraw/zinc/17/23/38/343172338.db2.gz HLYXXUVRDMNLDD-LBPRGKRZSA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@@H]([NH2+]C1CCCCC1)C(C)C 37509869 343172494 /nfs/dbraw/zinc/17/24/94/343172494.db2.gz HLYXXUVRDMNLDD-GFCCVEGCSA-N 1 0 183.339 3.343 50 0 AGAARO CCC([NH3+])(CC)c1ccc(Cl)cc1 37658087 343172861 /nfs/dbraw/zinc/17/28/61/343172861.db2.gz HTENYNLAYZIWRS-UHFFFAOYSA-N 1 0 197.709 3.314 50 0 AGAARO CC[C@H](C)C[NH2+]Cc1ccccc1C 37718941 343176845 /nfs/dbraw/zinc/17/68/45/343176845.db2.gz WDTAYKVPPMLCLJ-NSHDSACASA-N 1 0 191.318 3.131 50 0 AGAARO Cc1ccc(C)c(C[NH2+]C(C)(C)C)c1 37856718 343178903 /nfs/dbraw/zinc/17/89/03/343178903.db2.gz RHWRXORDSROIEV-UHFFFAOYSA-N 1 0 191.318 3.192 50 0 AGAARO Cc1cc(C)cc(C[NH2+]CC(C)C)c1 37855297 343178927 /nfs/dbraw/zinc/17/89/27/343178927.db2.gz XWJNQGSCLUFHTL-UHFFFAOYSA-N 1 0 191.318 3.049 50 0 AGAARO CCCC[NH2+]Cc1cccc(C)c1C 37854445 343178987 /nfs/dbraw/zinc/17/89/87/343178987.db2.gz XFPZICBEMZGJQE-UHFFFAOYSA-N 1 0 191.318 3.193 50 0 AGAARO CCCC[NH2+]Cc1cc(C)ccc1C 37854444 343179008 /nfs/dbraw/zinc/17/90/08/343179008.db2.gz CQWNAWIGKNEHMR-UHFFFAOYSA-N 1 0 191.318 3.193 50 0 AGAARO CCCC[NH2+]Cc1cc(C)cc(C)c1 37855277 343179025 /nfs/dbraw/zinc/17/90/25/343179025.db2.gz LIXHIFGRWSQZAU-UHFFFAOYSA-N 1 0 191.318 3.193 50 0 AGAARO Cc1ccc(C[NH2+]C(C)(C)C)cc1F 37927170 343181972 /nfs/dbraw/zinc/18/19/72/343181972.db2.gz JPWZBKOYAQLVRG-UHFFFAOYSA-N 1 0 195.281 3.022 50 0 AGAARO Cc1cc(C)cc(C[NH2+]C(C)(C)C)c1 37927171 343182092 /nfs/dbraw/zinc/18/20/92/343182092.db2.gz JPIPELLQNJFKIS-UHFFFAOYSA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@H](C)[NH2+]Cc1cccc(C)c1C 37978671 343182969 /nfs/dbraw/zinc/18/29/69/343182969.db2.gz SLVUTBHGHBBNRY-NSHDSACASA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 38065453 343184079 /nfs/dbraw/zinc/18/40/79/343184079.db2.gz NTSOIPONZXLNSL-JTQLQIEISA-N 1 0 195.281 3.022 50 0 AGAARO Cc1cccc(C[NH2+]CC(C)(C)C)c1 40492305 343219057 /nfs/dbraw/zinc/21/90/57/343219057.db2.gz FAHVOBDCIHUEGL-UHFFFAOYSA-N 1 0 191.318 3.131 50 0 AGAARO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C 40492340 343219266 /nfs/dbraw/zinc/21/92/66/343219266.db2.gz QVWBRVZDZLYRNJ-QWRGUYRKSA-N 1 0 183.339 3.201 50 0 AGAARO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)C 40492344 343219403 /nfs/dbraw/zinc/21/94/03/343219403.db2.gz QVWBRVZDZLYRNJ-WDEREUQCSA-N 1 0 183.339 3.201 50 0 AGAARO Cc1cccc([C@@H]2CCCC[NH2+]2)c1C 41204878 343232171 /nfs/dbraw/zinc/23/21/71/343232171.db2.gz QFINNNRDSLWINE-ZDUSSCGKSA-N 1 0 189.302 3.118 50 0 in-vitro AGAARO Cc1cccc([C@H]2CCCC[NH2+]2)c1C 41204879 343232293 /nfs/dbraw/zinc/23/22/93/343232293.db2.gz QFINNNRDSLWINE-CYBMUJFWSA-N 1 0 189.302 3.118 50 0 in-vitro AGAARO CCC[NH2+][C@H](C)c1sccc1C 42730212 343249073 /nfs/dbraw/zinc/24/90/73/343249073.db2.gz CTXSJDCGZOPVBO-SECBINFHSA-N 1 0 183.320 3.117 50 0 AGAARO CCCC[C@@H](CC)C[C@H]1CC[NH2+]C1 42784163 343249688 /nfs/dbraw/zinc/24/96/88/343249688.db2.gz PHZDGGKMKGOWTA-VXGBXAGGSA-N 1 0 183.339 3.202 50 0 AGAARO CCCC[C@H](CC)C[C@H]1CC[NH2+]C1 42784164 343249711 /nfs/dbraw/zinc/24/97/11/343249711.db2.gz PHZDGGKMKGOWTA-NWDGAFQWSA-N 1 0 183.339 3.202 50 0 AGAARO CCCC[NH2+]Cc1ccc(F)c(C)c1 49943427 343277180 /nfs/dbraw/zinc/27/71/80/343277180.db2.gz DRBXFRQPMIVENB-UHFFFAOYSA-N 1 0 195.281 3.024 50 0 AGAARO CC[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 50544480 343284419 /nfs/dbraw/zinc/28/44/19/343284419.db2.gz RNQAFLBBSRBEFA-JTQLQIEISA-N 1 0 195.281 3.022 50 0 AGAARO Cc1cc(C[NH2+]C(C)(C)C)ccc1F 50544470 343284510 /nfs/dbraw/zinc/28/45/10/343284510.db2.gz PAAIHTMQBOZPIY-UHFFFAOYSA-N 1 0 195.281 3.022 50 0 AGAARO Cc1cc(F)ccc1C[NH2+]C(C)(C)C 50568990 343284694 /nfs/dbraw/zinc/28/46/94/343284694.db2.gz BSNHPBABKZTUKW-UHFFFAOYSA-N 1 0 195.281 3.022 50 0 AGAARO CC[C@H](C)[NH2+]Cc1ccc(F)cc1C 50569008 343284803 /nfs/dbraw/zinc/28/48/03/343284803.db2.gz IBNODXWMIGISEF-JTQLQIEISA-N 1 0 195.281 3.022 50 0 AGAARO CCCC[NH2+]Cc1ccc(F)cc1C 50569044 343284939 /nfs/dbraw/zinc/28/49/39/343284939.db2.gz XIBXLORXSNQJDO-UHFFFAOYSA-N 1 0 195.281 3.024 50 0 AGAARO CCCC[C@H](CC)CCC[NH2+]C 52948982 343311882 /nfs/dbraw/zinc/31/18/82/343311882.db2.gz NNFOFJTWZPEMHP-NSHDSACASA-N 1 0 171.328 3.202 50 0 AGAARO CCC[NH2+]C1CCC(C(C)C)CC1 54554354 343325759 /nfs/dbraw/zinc/32/57/59/343325759.db2.gz DACVGRQGCHOILY-UHFFFAOYSA-N 1 0 183.339 3.201 50 0 AGAARO CC1(C)CCc2ccccc2[C@@H]([NH3+])C1 61825967 343364584 /nfs/dbraw/zinc/36/45/84/343364584.db2.gz VQQROXIKFLOQPL-LBPRGKRZSA-N 1 0 189.302 3.049 50 0 in-vitro AGAARO CCc1ccc([C@H]2CCCCC[NH2+]2)o1 68576067 343411727 /nfs/dbraw/zinc/41/17/27/343411727.db2.gz MBILJSJRGXSZTP-LLVKDONJSA-N 1 0 193.290 3.047 50 0 in-vitro AGAARO CCc1ccc([C@@H]2CCCCC[NH2+]2)o1 68576065 343411786 /nfs/dbraw/zinc/41/17/86/343411786.db2.gz MBILJSJRGXSZTP-NSHDSACASA-N 1 0 193.290 3.047 50 0 in-vitro AGAARO CC(C)[N@@H+]1CCC[C@H]1c1cccs1 69455677 343425361 /nfs/dbraw/zinc/42/53/61/343425361.db2.gz JCIHBSZEQVHZHE-JTQLQIEISA-N 1 0 195.331 3.293 50 0 AGAARO CC(C)[N@@H+]1CCC[C@@H]1c1cccs1 69455674 343425395 /nfs/dbraw/zinc/42/53/95/343425395.db2.gz JCIHBSZEQVHZHE-SNVBAGLBSA-N 1 0 195.331 3.293 50 0 AGAARO C[C@H]([NH3+])c1c(Cl)cccc1Cl 71260700 343551626 /nfs/dbraw/zinc/55/16/26/343551626.db2.gz NRWOZHOHRZOVDA-YFKPBYRVSA-N 1 0 190.073 3.013 50 0 in-vitro AGAARO CC1([NH+]2CCCCC2)CCCCC1 77951101 343581622 /nfs/dbraw/zinc/58/16/22/343581622.db2.gz IQBQRLZRCUNQLG-UHFFFAOYSA-N 1 0 181.323 3.195 50 0 AGAARO [NH3+][C@@H]1CCC[C@@H](c2ccccc2)CC1 77986970 343581664 /nfs/dbraw/zinc/58/16/64/343581664.db2.gz NVBYQZRSPAYDIS-CHWSQXEVSA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@H]1CCC[C@@H](c2ccccc2)CC1 77986966 343581830 /nfs/dbraw/zinc/58/18/30/343581830.db2.gz NVBYQZRSPAYDIS-OLZOCXBDSA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@@H]1CCC[C@H](c2ccccc2)CC1 77986974 343581868 /nfs/dbraw/zinc/58/18/68/343581868.db2.gz NVBYQZRSPAYDIS-QWHCGFSZSA-N 1 0 189.302 3.062 50 0 AGAARO [NH3+][C@H]1CCC[C@H](c2ccccc2)CC1 77986968 343581902 /nfs/dbraw/zinc/58/19/02/343581902.db2.gz NVBYQZRSPAYDIS-STQMWFEESA-N 1 0 189.302 3.062 50 0 AGAARO Cc1cc(C[NH3+])ccc1-c1ccccc1 83824796 343625116 /nfs/dbraw/zinc/62/51/16/343625116.db2.gz GTDPGPWRQIYZHO-UHFFFAOYSA-N 1 0 197.281 3.121 50 0 in-vitro AGAARO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC2)c1 84349453 343634775 /nfs/dbraw/zinc/63/47/75/343634775.db2.gz XTARAGUVLHAAIH-LLVKDONJSA-N 1 0 189.302 3.116 50 0 AGAARO CC[C@H]([NH2+]C1CC1)c1ccccc1F 84354222 343635240 /nfs/dbraw/zinc/63/52/40/343635240.db2.gz QKOPIFDUXHTPAH-LBPRGKRZSA-N 1 0 193.265 3.029 50 0 AGAARO C[C@H]([NH3+])c1cccc(C(C)(C)C)c1 86005670 343648626 /nfs/dbraw/zinc/64/86/26/343648626.db2.gz JAUXBJVPSMUQRD-VIFPVBQESA-N 1 0 177.291 3.004 50 0 AGAARO C[NH+](C)C1(c2ccco2)CCCCC1 96026712 343692265 /nfs/dbraw/zinc/69/22/65/343692265.db2.gz VJHLZHQBDGQLMV-UHFFFAOYSA-N 1 0 193.290 3.001 50 0 AGAARO C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 96026880 343692336 /nfs/dbraw/zinc/69/23/36/343692336.db2.gz ZSHRGPXLYZNBCR-YPMHNXCESA-N 1 0 189.302 3.089 50 0 AGAARO C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 96026881 343692381 /nfs/dbraw/zinc/69/23/81/343692381.db2.gz ZSHRGPXLYZNBCR-AAEUAGOBSA-N 1 0 189.302 3.089 50 0 AGAARO CC(C)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 101550927 343724017 /nfs/dbraw/zinc/72/40/17/343724017.db2.gz OLTGEHMMQVEMTP-UTUOFQBUSA-N 1 0 183.339 3.199 50 0 AGAARO CC(C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 101550940 343724239 /nfs/dbraw/zinc/72/42/39/343724239.db2.gz OLTGEHMMQVEMTP-IJLUTSLNSA-N 1 0 183.339 3.199 50 0 AGAARO CCCC(C)(C)[NH2+]Cc1cccs1 123197142 343782488 /nfs/dbraw/zinc/78/24/88/343782488.db2.gz PRRGDTRBNKCBSE-UHFFFAOYSA-N 1 0 197.347 3.416 50 0 in-vitro AGAARO CC[NH+](CC)Cc1cccc(Cl)c1 146439165 344041006 /nfs/dbraw/zinc/04/10/06/344041006.db2.gz FSVXDYPLQHBKFT-UHFFFAOYSA-N 1 0 197.709 3.182 50 0 AGAARO C[C@@H]1CCC[C@H](C2CCCCC2)[NH2+]1 235322153 344743101 /nfs/dbraw/zinc/74/31/01/344743101.db2.gz JUDUAKFAPNPHOX-ZYHUDNBSSA-N 1 0 181.323 3.097 50 0 AGAARO C[C@@H]1CCC[C@@H](C2CCCCC2)[NH2+]1 235343703 344745203 /nfs/dbraw/zinc/74/52/03/344745203.db2.gz JUDUAKFAPNPHOX-PWSUYJOCSA-N 1 0 181.323 3.097 50 0 AGAARO C[C@H]1CCC[C@H](C2CCCCC2)[NH2+]1 235638811 344761083 /nfs/dbraw/zinc/76/10/83/344761083.db2.gz JUDUAKFAPNPHOX-CMPLNLGQSA-N 1 0 181.323 3.097 50 0 AGAARO C[C@H]1CCC[C@@H](C2CCCCC2)[NH2+]1 235663898 344762198 /nfs/dbraw/zinc/76/21/98/344762198.db2.gz JUDUAKFAPNPHOX-JQWIXIFHSA-N 1 0 181.323 3.097 50 0 AGAARO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C 238850675 344823242 /nfs/dbraw/zinc/82/32/42/344823242.db2.gz CMHJODCOLJHWPV-QJPTWQEYSA-N 1 0 183.339 3.201 50 0 AGAARO CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C 238850676 344823269 /nfs/dbraw/zinc/82/32/69/344823269.db2.gz CMHJODCOLJHWPV-TUAOUCFPSA-N 1 0 183.339 3.201 50 0 AGAARO C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CC(C)(C)C 238860526 344824499 /nfs/dbraw/zinc/82/44/99/344824499.db2.gz ZSHFXXYWTSELIO-GRYCIOLGSA-N 1 0 197.366 3.447 50 0 AGAARO C[C@@H]1CCC[N@H+](C)[C@H]1c1ccccc1 261361571 344956023 /nfs/dbraw/zinc/95/60/23/344956023.db2.gz ZSHRGPXLYZNBCR-DGCLKSJQSA-N 1 0 189.302 3.089 50 0 AGAARO C[C@H]1CCC[N@H+](C)[C@H]1c1ccccc1 261361573 344956090 /nfs/dbraw/zinc/95/60/90/344956090.db2.gz ZSHRGPXLYZNBCR-WCQYABFASA-N 1 0 189.302 3.089 50 0 AGAARO c1ccc(-c2ncc3ccccn23)cc1 145284 351270341 /nfs/dbraw/zinc/27/03/41/351270341.db2.gz BLGGTXOVNVHSSV-UHFFFAOYSA-N 1 0 194.237 3.001 50 0 in-vitro AGAARO CC(C)CC[NH+]1Cc2ccccc2C1 1279161 351284504 /nfs/dbraw/zinc/28/45/04/351284504.db2.gz AAZVPMBRWXXXRV-UHFFFAOYSA-N 1 0 189.302 3.048 50 0 AGAARO CC(C)C[C@@H](C)[NH2+][C@H](C)CC(C)C 1679561 351293630 /nfs/dbraw/zinc/29/36/30/351293630.db2.gz WNOMKCAADBZQOV-VXGBXAGGSA-N 1 0 185.355 3.445 50 0 in-vitro AGAARO CC(C)C[C@H](C)[NH2+][C@@H](C)CC(C)C 1679560 351293918 /nfs/dbraw/zinc/29/39/18/351293918.db2.gz WNOMKCAADBZQOV-RYUDHWBXSA-N 1 0 185.355 3.445 50 0 in-vitro AGAARO CC(C)C[C@H](C)[NH2+][C@H](C)CC(C)C 1679559 351294094 /nfs/dbraw/zinc/29/40/94/351294094.db2.gz WNOMKCAADBZQOV-TXEJJXNPSA-N 1 0 185.355 3.445 50 0 in-vitro AGAARO c1ccc2c([C@H]3CCC[NH2+]3)cccc2c1 1695092 351295104 /nfs/dbraw/zinc/29/51/04/351295104.db2.gz FEJHFYHZVJWOOE-CQSZACIVSA-N 1 0 197.281 3.264 50 0 in-vitro AGAARO CC(C)CCC[C@H](C)[NH2+]C(C)C 2020019 351300985 /nfs/dbraw/zinc/30/09/85/351300985.db2.gz NKGYBXHAQAKSSG-NSHDSACASA-N 1 0 171.328 3.199 50 0 world AGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1 2027685 351302448 /nfs/dbraw/zinc/30/24/48/351302448.db2.gz PXWVXIBJJNDWLW-GHMZBOCLSA-N 1 0 177.291 3.136 50 0 AGAARO c1ccc2c([C@@H]3CCC[NH2+]3)cccc2c1 2042071 351303417 /nfs/dbraw/zinc/30/34/17/351303417.db2.gz FEJHFYHZVJWOOE-AWEZNQCLSA-N 1 0 197.281 3.264 50 0 in-vitro AGAARO CC(C)CC[C@H](CC[NH3+])c1ccco1 2126020 351304129 /nfs/dbraw/zinc/30/41/29/351304129.db2.gz YOQCIXGNPYEOLZ-LLVKDONJSA-N 1 0 195.306 3.148 50 0 biogenic AGAARO CC(C)CC[C@@H](CC[NH3+])c1ccco1 2126019 351304328 /nfs/dbraw/zinc/30/43/28/351304328.db2.gz YOQCIXGNPYEOLZ-NSHDSACASA-N 1 0 195.306 3.148 50 0 biogenic AGAARO C[C@@H]1CC(C)(C)[NH2+]Cc2ccccc21 2133743 351304437 /nfs/dbraw/zinc/30/44/37/351304437.db2.gz DVSDFKWNHPZIDC-SNVBAGLBSA-N 1 0 189.302 3.062 50 0 biogenic,in-vitro AGAARO c1coc(C[NH2+]C2CCCCCC2)c1 2380250 351306311 /nfs/dbraw/zinc/30/63/11/351306311.db2.gz ZPHJKAAPBGKDDK-UHFFFAOYSA-N 1 0 193.290 3.092 50 0 AGAARO CC[C@@H](C)c1ccc([C@@H](C)[NH3+])cc1 2549374 351311159 /nfs/dbraw/zinc/31/11/59/351311159.db2.gz RNODDJQLVDOMIX-NXEZZACHSA-N 1 0 177.291 3.220 50 0 AGAARO c1ccc2cc([C@H]3CCC[NH2+]3)ccc2c1 3732367 351319238 /nfs/dbraw/zinc/31/92/38/351319238.db2.gz ASDMHFSTBKLKST-CQSZACIVSA-N 1 0 197.281 3.264 50 0 in-vitro AGAARO c1ccc2cc([C@@H]3CCC[NH2+]3)ccc2c1 3732368 351319503 /nfs/dbraw/zinc/31/95/03/351319503.db2.gz ASDMHFSTBKLKST-AWEZNQCLSA-N 1 0 197.281 3.264 50 0 in-vitro AGAARO c1cc(C[NH2+]C2CCCCC2)cs1 7524961 351354667 /nfs/dbraw/zinc/35/46/67/351354667.db2.gz CGIXKPNVDBPGFK-UHFFFAOYSA-N 1 0 195.331 3.170 50 0 AGAARO CC(C)C[NH2+]Cc1ccccc1Cl 6883656 351354681 /nfs/dbraw/zinc/35/46/81/351354681.db2.gz AXXMGIIZNWHLFL-UHFFFAOYSA-N 1 0 197.709 3.086 50 0 AGAARO CC(C)C[NH2+]Cc1cccc(Cl)c1 6883638 351355293 /nfs/dbraw/zinc/35/52/93/351355293.db2.gz IGIBVCHOAXAJDB-UHFFFAOYSA-N 1 0 197.709 3.086 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1ccccc1Cl 8326037 351356311 /nfs/dbraw/zinc/35/63/11/351356311.db2.gz AXSGEXKTBMNPPT-SECBINFHSA-N 1 0 197.709 3.228 50 0 in-vitro AGAARO CC[C@@H](C)[NH2+]C/C=C/c1ccccc1 8325851 351356435 /nfs/dbraw/zinc/35/64/35/351356435.db2.gz MJMCOLLHJAVQPY-OFFHKIPUSA-N 1 0 189.302 3.088 50 0 in-vitro AGAARO CC(C)C[NH2+]C[C@H](C)c1ccccc1 10474885 351359832 /nfs/dbraw/zinc/35/98/32/351359832.db2.gz UMQJLMNBXBCGOY-LBPRGKRZSA-N 1 0 191.318 3.036 50 0 AGAARO CC(C)([NH3+])c1cccc2ccccc12 11885308 351361959 /nfs/dbraw/zinc/36/19/59/351361959.db2.gz MCHJENPCEHYZQU-UHFFFAOYSA-N 1 0 185.270 3.034 50 0 in-vitro AGAARO c1ccc2c(C[NH2+]C3CC3)cccc2c1 13942724 351372274 /nfs/dbraw/zinc/37/22/74/351372274.db2.gz ZWWHJEKFNUUAGZ-UHFFFAOYSA-N 1 0 197.281 3.092 50 0 AGAARO c1ccc(C[NH2+]C2CCCCC2)cc1 13898389 351372419 /nfs/dbraw/zinc/37/24/19/351372419.db2.gz IYWYMFZAZUYNLC-UHFFFAOYSA-N 1 0 189.302 3.109 50 0 in-vitro AGAARO CC(C)C[NH2+][C@@H](C)c1cccc(F)c1 19883253 351398257 /nfs/dbraw/zinc/39/82/57/351398257.db2.gz AGXWQAVOQYXJAW-JTQLQIEISA-N 1 0 195.281 3.132 50 0 AGAARO C[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 19093834 351387425 /nfs/dbraw/zinc/38/74/25/351387425.db2.gz ZAYHAPKVIWMDAG-PWSUYJOCSA-N 1 0 181.323 3.097 50 0 in-vitro AGAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 19093830 351387442 /nfs/dbraw/zinc/38/74/42/351387442.db2.gz ZAYHAPKVIWMDAG-ZYHUDNBSSA-N 1 0 181.323 3.097 50 0 in-vitro AGAARO CC[C@@H](C)[NH2+]C1CCCCCC1 19093840 351387471 /nfs/dbraw/zinc/38/74/71/351387471.db2.gz AHIBWCFSQAGTCK-SNVBAGLBSA-N 1 0 169.312 3.097 50 0 in-vitro AGAARO CC[C@@H](C)[C@H]([NH3+])c1ccc(Cl)cc1 19804101 351395003 /nfs/dbraw/zinc/39/50/03/351395003.db2.gz WHVMBRDHYOGMIZ-KCJUWKMLSA-N 1 0 197.709 3.386 50 0 in-vitro AGAARO CC(C)C[C@@H]([NH3+])c1ccc(Cl)cc1 19804089 351395087 /nfs/dbraw/zinc/39/50/87/351395087.db2.gz PGWGGHJHFDCJDR-LLVKDONJSA-N 1 0 197.709 3.386 50 0 in-vitro AGAARO CC(C)C[C@H]([NH3+])c1ccc(Cl)cc1 19804090 351395156 /nfs/dbraw/zinc/39/51/56/351395156.db2.gz PGWGGHJHFDCJDR-NSHDSACASA-N 1 0 197.709 3.386 50 0 in-vitro AGAARO CC[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1 19804099 351395438 /nfs/dbraw/zinc/39/54/38/351395438.db2.gz WHVMBRDHYOGMIZ-LDYMZIIASA-N 1 0 197.709 3.386 50 0 in-vitro AGAARO CC[C@@H](C)[NH2+][C@H](C)c1cccs1 19882159 351396405 /nfs/dbraw/zinc/39/64/05/351396405.db2.gz CXXGKFQAIYFDJC-RKDXNWHRSA-N 1 0 183.320 3.197 50 0 AGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1F 19882182 351396415 /nfs/dbraw/zinc/39/64/15/351396415.db2.gz BGMWTBZPONRDDP-NXEZZACHSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 19882263 351396421 /nfs/dbraw/zinc/39/64/21/351396421.db2.gz AGRBDBHPYXNIKV-ZWNOBZJWSA-N 1 0 189.302 3.062 50 0 AGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 19882008 351396472 /nfs/dbraw/zinc/39/64/72/351396472.db2.gz RZAQGESWNUCEEY-VXGBXAGGSA-N 1 0 191.318 3.444 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1cccs1 19882155 351396548 /nfs/dbraw/zinc/39/65/48/351396548.db2.gz CXXGKFQAIYFDJC-BDAKNGLRSA-N 1 0 183.320 3.197 50 0 AGAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 19878884 351396561 /nfs/dbraw/zinc/39/65/61/351396561.db2.gz IPQRVOIHJBWUEL-YPMHNXCESA-N 1 0 195.350 3.487 50 0 AGAARO C[C@@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 19878896 351396575 /nfs/dbraw/zinc/39/65/75/351396575.db2.gz VZMMRZKEPUBVML-YPMHNXCESA-N 1 0 195.350 3.487 50 0 AGAARO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 19882276 351396680 /nfs/dbraw/zinc/39/66/80/351396680.db2.gz VEGUDDGUQKLKGD-PSASIEDQSA-N 1 0 181.279 3.037 50 0 AGAARO CC(C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C 19882958 351396711 /nfs/dbraw/zinc/39/67/11/351396711.db2.gz XXNRLLMUSKDHNH-QWRGUYRKSA-N 1 0 183.339 3.057 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 19882767 351396714 /nfs/dbraw/zinc/39/67/14/351396714.db2.gz JRAIXXDRASKUJU-ZJUUUORDSA-N 1 0 195.281 3.275 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1ccc(C)cc1C 19881803 351396722 /nfs/dbraw/zinc/39/67/22/351396722.db2.gz FDYLGQLTLRTMSN-GFCCVEGCSA-N 1 0 191.318 3.192 50 0 AGAARO CC(C)C[NH2+][C@H](C)c1cccs1 19883057 351396790 /nfs/dbraw/zinc/39/67/90/351396790.db2.gz LXXACHHVHXASSC-SECBINFHSA-N 1 0 183.320 3.055 50 0 AGAARO CC(C)C[NH2+][C@@H](C)c1cccs1 19883056 351396813 /nfs/dbraw/zinc/39/68/13/351396813.db2.gz LXXACHHVHXASSC-VIFPVBQESA-N 1 0 183.320 3.055 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C 19882498 351396905 /nfs/dbraw/zinc/39/69/05/351396905.db2.gz RIERGJCKGMBCCB-NEPJUHHUSA-N 1 0 191.318 3.444 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 19882272 351396986 /nfs/dbraw/zinc/39/69/86/351396986.db2.gz VEGUDDGUQKLKGD-SCZZXKLOSA-N 1 0 181.279 3.037 50 0 AGAARO CC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 19882268 351396995 /nfs/dbraw/zinc/39/69/95/351396995.db2.gz AGRBDBHPYXNIKV-MFKMUULPSA-N 1 0 189.302 3.062 50 0 AGAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 19878892 351397011 /nfs/dbraw/zinc/39/70/11/351397011.db2.gz VZMMRZKEPUBVML-DGCLKSJQSA-N 1 0 195.350 3.487 50 0 AGAARO C[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 19878887 351397018 /nfs/dbraw/zinc/39/70/18/351397018.db2.gz IPQRVOIHJBWUEL-DGCLKSJQSA-N 1 0 195.350 3.487 50 0 AGAARO CC(C)CC[NH2+][C@@H](C)c1ccccc1 19878099 351397078 /nfs/dbraw/zinc/39/70/78/351397078.db2.gz KZQFBOGEIFSQTQ-LBPRGKRZSA-N 1 0 191.318 3.383 50 0 AGAARO CC(C)CC[NH2+][C@H](C)c1ccccc1 19878100 351397094 /nfs/dbraw/zinc/39/70/94/351397094.db2.gz KZQFBOGEIFSQTQ-GFCCVEGCSA-N 1 0 191.318 3.383 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1F 19882178 351397142 /nfs/dbraw/zinc/39/71/42/351397142.db2.gz BGMWTBZPONRDDP-ZJUUUORDSA-N 1 0 195.281 3.275 50 0 AGAARO CC(C)C[NH2+][C@@H](C)c1ccccc1F 19883064 351397621 /nfs/dbraw/zinc/39/76/21/351397621.db2.gz DELBFUKAYZWSCM-JTQLQIEISA-N 1 0 195.281 3.132 50 0 AGAARO CC(C)CC[NH2+][C@H]1CCCC[C@H]1C 19911858 351397638 /nfs/dbraw/zinc/39/76/38/351397638.db2.gz FVLYJCIPPAALRP-NEPJUHHUSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)CC[NH2+][C@H]1CCCC[C@@H]1C 19911856 351397851 /nfs/dbraw/zinc/39/78/51/351397851.db2.gz FVLYJCIPPAALRP-RYUDHWBXSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1C 19911855 351398001 /nfs/dbraw/zinc/39/80/01/351398001.db2.gz FVLYJCIPPAALRP-NWDGAFQWSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)C[NH2+][C@H](C)c1cccc(F)c1 19883255 351398004 /nfs/dbraw/zinc/39/80/04/351398004.db2.gz AGXWQAVOQYXJAW-SNVBAGLBSA-N 1 0 195.281 3.132 50 0 AGAARO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1C 19911857 351398023 /nfs/dbraw/zinc/39/80/23/351398023.db2.gz FVLYJCIPPAALRP-VXGBXAGGSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 19911859 351398048 /nfs/dbraw/zinc/39/80/48/351398048.db2.gz VNBKSAJLVJHSLL-VXGBXAGGSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)CC[NH2+]C1CCCCCC1 19911842 351398097 /nfs/dbraw/zinc/39/80/97/351398097.db2.gz FNVAFQYYKGUOJU-UHFFFAOYSA-N 1 0 183.339 3.345 50 0 AGAARO C[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 19883349 351398105 /nfs/dbraw/zinc/39/81/05/351398105.db2.gz PAQLDQOYPFVEQQ-ZYHUDNBSSA-N 1 0 181.323 3.097 50 0 AGAARO CC(C)CC[NH2+][C@H]1CCC[C@@H](C)C1 19911860 351398142 /nfs/dbraw/zinc/39/81/42/351398142.db2.gz VNBKSAJLVJHSLL-NEPJUHHUSA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)CC[NH2+][C@@H]1CCC[C@H](C)C1 19911861 351398198 /nfs/dbraw/zinc/39/81/98/351398198.db2.gz VNBKSAJLVJHSLL-NWDGAFQWSA-N 1 0 183.339 3.201 50 0 AGAARO CC[C@@H](C)C[NH2+]C1CCCCCC1 20018356 351399066 /nfs/dbraw/zinc/39/90/66/351399066.db2.gz IMKXZOZYGMIBPW-LLVKDONJSA-N 1 0 183.339 3.345 50 0 AGAARO CC[C@@H](C)C[NH2+][C@H](C)c1ccccc1 20085318 351399615 /nfs/dbraw/zinc/39/96/15/351399615.db2.gz VOWTWTNWYPEPNV-VXGBXAGGSA-N 1 0 191.318 3.383 50 0 AGAARO CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)C 20088725 351399743 /nfs/dbraw/zinc/39/97/43/351399743.db2.gz RKNMFPKTFWSURB-GHMZBOCLSA-N 1 0 171.328 3.057 50 0 AGAARO CC[C@@H](C)[C@H](C)[NH2+]CCC(C)C 20088729 351399756 /nfs/dbraw/zinc/39/97/56/351399756.db2.gz RKNMFPKTFWSURB-MNOVXSKESA-N 1 0 171.328 3.057 50 0 AGAARO CC[C@@H](C)[C@H](C)[NH2+]C1CCCCC1 20085378 351399896 /nfs/dbraw/zinc/39/98/96/351399896.db2.gz JEZQTLPBYNVMPT-MNOVXSKESA-N 1 0 183.339 3.343 50 0 AGAARO CC[C@@H](C)C[NH2+]Cc1ccc(C)cc1 20092175 351400322 /nfs/dbraw/zinc/40/03/22/351400322.db2.gz PERGKRKHDNGAIM-LLVKDONJSA-N 1 0 191.318 3.131 50 0 AGAARO CC[C@@H](C)[C@@H](C)[NH2+]C1CCCCC1 20085376 351400379 /nfs/dbraw/zinc/40/03/79/351400379.db2.gz JEZQTLPBYNVMPT-GHMZBOCLSA-N 1 0 183.339 3.343 50 0 AGAARO CC(C)C[C@H](C)[NH2+]Cc1cccs1 20139003 351400962 /nfs/dbraw/zinc/40/09/62/351400962.db2.gz DZFYHIMBALRLED-JTQLQIEISA-N 1 0 197.347 3.272 50 0 AGAARO CC[C@@H](C)C[NH2+]Cc1cccc(C)c1 20134458 351401101 /nfs/dbraw/zinc/40/11/01/351401101.db2.gz OWRUVOBYZXRZON-LLVKDONJSA-N 1 0 191.318 3.131 50 0 AGAARO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccs1 20139602 351401152 /nfs/dbraw/zinc/40/11/52/351401152.db2.gz GEEVXMUBNLQHLD-ZJUUUORDSA-N 1 0 197.347 3.272 50 0 AGAARO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccs1 20139598 351401303 /nfs/dbraw/zinc/40/13/03/351401303.db2.gz GEEVXMUBNLQHLD-NXEZZACHSA-N 1 0 197.347 3.272 50 0 AGAARO CC(C)C[C@@H](C)[NH2+]Cc1cccs1 20139000 351401468 /nfs/dbraw/zinc/40/14/68/351401468.db2.gz DZFYHIMBALRLED-SNVBAGLBSA-N 1 0 197.347 3.272 50 0 AGAARO c1ccc2cc(C[NH2+]C3CC3)ccc2c1 21964096 351408818 /nfs/dbraw/zinc/40/88/18/351408818.db2.gz KLEUEPQGQDNMNK-UHFFFAOYSA-N 1 0 197.281 3.092 50 0 AGAARO CC(C)([NH3+])Cc1ccc2ccccc2c1 34540372 351442741 /nfs/dbraw/zinc/44/27/41/351442741.db2.gz MUSKTCTZFQZRIL-UHFFFAOYSA-N 1 0 199.297 3.120 50 0 in-vitro AGAARO CC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 35042927 351448086 /nfs/dbraw/zinc/44/80/86/351448086.db2.gz VZXUIYSYHQPOJL-GFCCVEGCSA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1cc(C)ccc1C 35843782 351454934 /nfs/dbraw/zinc/45/49/34/351454934.db2.gz UOPQKOGFEHHUSX-GFCCVEGCSA-N 1 0 191.318 3.192 50 0 AGAARO CC(C)C[NH2+][C@@H](C)C1CCCCC1 37186742 351464262 /nfs/dbraw/zinc/46/42/62/351464262.db2.gz NZRIREWUHSFWQK-NSHDSACASA-N 1 0 183.339 3.201 50 0 AGAARO CC(C)C[NH2+][C@H](C)C1CCCCC1 37186743 351464555 /nfs/dbraw/zinc/46/45/55/351464555.db2.gz NZRIREWUHSFWQK-LLVKDONJSA-N 1 0 183.339 3.201 50 0 AGAARO CC[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 37186533 351464564 /nfs/dbraw/zinc/46/45/64/351464564.db2.gz HXQSJDWEPJZLCU-MNOVXSKESA-N 1 0 183.339 3.343 50 0 AGAARO CC(C)C[C@H]([NH3+])c1cccc(Cl)c1 37466237 351468918 /nfs/dbraw/zinc/46/89/18/351468918.db2.gz GRIXKYOHBBJHBT-NSHDSACASA-N 1 0 197.709 3.386 50 0 AGAARO CC(C)C[C@@H]([NH3+])c1cccc(Cl)c1 37466239 351469200 /nfs/dbraw/zinc/46/92/00/351469200.db2.gz GRIXKYOHBBJHBT-LLVKDONJSA-N 1 0 197.709 3.386 50 0 AGAARO CC[C@@H](C)C[NH2+]Cc1ccccc1C 37718940 351473062 /nfs/dbraw/zinc/47/30/62/351473062.db2.gz WDTAYKVPPMLCLJ-LLVKDONJSA-N 1 0 191.318 3.131 50 0 AGAARO CC[C@@]([NH3+])(c1ccc(F)cc1)C(C)C 37755346 351474202 /nfs/dbraw/zinc/47/42/02/351474202.db2.gz NIVFIIQYXYAOGF-LBPRGKRZSA-N 1 0 195.281 3.046 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1cccc(C)c1C 37978670 351476754 /nfs/dbraw/zinc/47/67/54/351476754.db2.gz SLVUTBHGHBBNRY-LLVKDONJSA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 37978531 351477453 /nfs/dbraw/zinc/47/74/53/351477453.db2.gz DQNUILFOWGCDER-GFCCVEGCSA-N 1 0 191.318 3.192 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 38065452 351478484 /nfs/dbraw/zinc/47/84/84/351478484.db2.gz NTSOIPONZXLNSL-SNVBAGLBSA-N 1 0 195.281 3.022 50 0 AGAARO CC(C)([NH3+])c1ccc2ccccc2c1 39953759 351504273 /nfs/dbraw/zinc/50/42/73/351504273.db2.gz YVPPUVZWMHWCQE-UHFFFAOYSA-N 1 0 185.270 3.034 50 0 AGAARO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C 40492339 351507738 /nfs/dbraw/zinc/50/77/38/351507738.db2.gz QVWBRVZDZLYRNJ-MNOVXSKESA-N 1 0 183.339 3.201 50 0 AGAARO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)C 40492342 351507964 /nfs/dbraw/zinc/50/79/64/351507964.db2.gz QVWBRVZDZLYRNJ-GHMZBOCLSA-N 1 0 183.339 3.201 50 0 AGAARO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C)[C@@H]1C 41051137 351515478 /nfs/dbraw/zinc/51/54/78/351515478.db2.gz ZSHFXXYWTSELIO-IJLUTSLNSA-N 1 0 197.366 3.447 50 0 AGAARO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C)[C@@H]1C 41051135 351515614 /nfs/dbraw/zinc/51/56/14/351515614.db2.gz ZSHFXXYWTSELIO-UTUOFQBUSA-N 1 0 197.366 3.447 50 0 AGAARO CC(C)=CC[N@@H+]1[C@@H](C)CCC[C@H]1C 44125847 351535394 /nfs/dbraw/zinc/53/53/94/351535394.db2.gz IYXUODTYCDQUJI-TXEJJXNPSA-N 1 0 181.323 3.216 50 0 AGAARO CC(C)=CC[NH+]1[C@@H](C)CCC[C@@H]1C 44125851 351535758 /nfs/dbraw/zinc/53/57/58/351535758.db2.gz IYXUODTYCDQUJI-RYUDHWBXSA-N 1 0 181.323 3.216 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 50544479 351554569 /nfs/dbraw/zinc/55/45/69/351554569.db2.gz RNQAFLBBSRBEFA-SNVBAGLBSA-N 1 0 195.281 3.022 50 0 AGAARO CC[C@@H](C)[NH2+]Cc1ccc(F)cc1C 50569007 351555245 /nfs/dbraw/zinc/55/52/45/351555245.db2.gz IBNODXWMIGISEF-SNVBAGLBSA-N 1 0 195.281 3.022 50 0 AGAARO CCCCCC[C@@H](CC)C[NH2+]C 52972817 351569254 /nfs/dbraw/zinc/56/92/54/351569254.db2.gz PLIRAZIPLWDXRH-LLVKDONJSA-N 1 0 171.328 3.202 50 0 in-vitro AGAARO CC(C)C[NH2+]C1CCC(C(C)C)CC1 54554364 351573723 /nfs/dbraw/zinc/57/37/23/351573723.db2.gz QSMMXGZKTZTGAJ-UHFFFAOYSA-N 1 0 197.366 3.447 50 0 AGAARO C#[N+]c1ccc(Cl)cc1C 59160373 351580974 /nfs/dbraw/zinc/58/09/74/351580974.db2.gz OCUALJWHMLJTFU-UHFFFAOYSA-N 1 0 151.596 3.199 50 0 in-vitro AGAARO CC[C@@H](C)Nc1ccc(OC)cc1C 61565277 351582265 /nfs/dbraw/zinc/58/22/65/351582265.db2.gz OODCZVJHVBWCAN-SNVBAGLBSA-N 1 0 193.290 3.214 50 0 AGAARO C#[N+]c1ccc(C)c(Cl)c1 95698282 351671916 /nfs/dbraw/zinc/67/19/16/351671916.db2.gz WCFCRNJQFXKQSQ-UHFFFAOYSA-N 1 0 151.596 3.199 50 0 in-vitro AGAARO C#[N+]c1ccc(C(F)(F)F)cc1 95698050 351671987 /nfs/dbraw/zinc/67/19/87/351671987.db2.gz MPEHAMDFHFAQLB-UHFFFAOYSA-N 1 0 171.121 3.256 50 0 AGAARO CC(C)([NH3+])CC1CCCCCC1 95884093 351675500 /nfs/dbraw/zinc/67/55/00/351675500.db2.gz GYQKGIRCLZQLOF-UHFFFAOYSA-N 1 0 169.312 3.084 50 0 in-vitro AGAARO c1ccc(-c2c[nH]c3cc[nH+]cc23)cc1 97002735 351684451 /nfs/dbraw/zinc/68/44/51/351684451.db2.gz OLPYCUUQHBSPJW-UHFFFAOYSA-N 1 0 194.237 3.230 50 0 AGAARO C#[N+]c1cc(Cl)ccc1C 100000331 351686053 /nfs/dbraw/zinc/68/60/53/351686053.db2.gz KVVCJUZMZATMKM-UHFFFAOYSA-N 1 0 151.596 3.199 50 0 in-vitro AGAARO C#[N+]c1ccc(Cl)cc1F 100000330 351686081 /nfs/dbraw/zinc/68/60/81/351686081.db2.gz FJCNKXISAICRIT-UHFFFAOYSA-N 1 0 155.559 3.030 50 0 in-vitro AGAARO C#[N+]c1ccc(OC(F)(F)F)cc1 100224316 351692744 /nfs/dbraw/zinc/69/27/44/351692744.db2.gz LAQRZKIFJUVURC-UHFFFAOYSA-N 1 0 187.120 3.136 50 0 AGAARO CC[C@H]1CCC[C@H]2CCCC[C@H]1[N@@H+]2C 101036085 351703271 /nfs/dbraw/zinc/70/32/71/351703271.db2.gz ALSSUGAUSSIJKX-YNEHKIRRSA-N 1 0 195.350 3.440 50 0 AGAARO CC[C@@H]1CCC[C@H]2CCCC[C@H]1[N@@H+]2C 101036084 351703287 /nfs/dbraw/zinc/70/32/87/351703287.db2.gz ALSSUGAUSSIJKX-JHJVBQTASA-N 1 0 195.350 3.440 50 0 AGAARO C#[N+]c1cccc(OC(F)(F)F)c1 101818737 351706201 /nfs/dbraw/zinc/70/62/01/351706201.db2.gz BJYCSLSZWDEEKN-UHFFFAOYSA-N 1 0 187.120 3.136 50 0 AGAARO CC(C)C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 238857053 351826500 /nfs/dbraw/zinc/82/65/00/351826500.db2.gz XXNRLLMUSKDHNH-GDNZZTSVSA-N 1 0 183.339 3.057 50 0 AGAARO C[C@@H]1[C@@H]([NH2+]CC(C)(C)C)CCC[C@H]1C 238860527 351826674 /nfs/dbraw/zinc/82/66/74/351826674.db2.gz ZSHFXXYWTSELIO-WOPDTQHZSA-N 1 0 197.366 3.447 50 0 AGAARO CC(C)C[NH2+]Cc1ccc(Cl)cc1 5817288 371619789 /nfs/dbraw/zinc/61/97/89/371619789.db2.gz HJCJKLVHXIFTPN-UHFFFAOYSA-N 1 0 197.709 3.086 50 0 AGAARO CC(C)C[C@H](C)[NH2+]Cc1ccccc1 5962829 371620743 /nfs/dbraw/zinc/62/07/43/371620743.db2.gz JFQMTBSPRNVCJU-LBPRGKRZSA-N 1 0 191.318 3.211 50 0 AGAARO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 238856053 371731391 /nfs/dbraw/zinc/73/13/91/371731391.db2.gz USROIRBNYXPKKK-WRWGMCAJSA-N 1 0 183.339 3.199 50 0 AGAARO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 238856051 371731710 /nfs/dbraw/zinc/73/17/10/371731710.db2.gz USROIRBNYXPKKK-NNYUYHANSA-N 1 0 183.339 3.199 50 0 AGAARO C[C@H]1C[C@H](C2CCCCC2)C[C@@H](C)[NH2+]1 307539703 629775451 /nfs/dbraw/zinc/77/54/51/629775451.db2.gz YUIJTCJCPGOFSQ-PTEHBNRSSA-N 1 0 195.350 3.343 50 0 AGAARO O=[N+](Nc1ccccc1)c1ccccc1 98043855 527318496 /nfs/dbraw/zinc/31/84/96/527318496.db2.gz CUHUQJIEZRIINV-UHFFFAOYSA-N 1 0 199.233 3.124 50 0 in-vitro AGAARO CC[C@@H](C)c1ccc([C@H](C)[NH3+])cc1 2732098 522431486 /nfs/dbraw/zinc/43/14/86/522431486.db2.gz RNODDJQLVDOMIX-ZJUUUORDSA-N 1 0 177.291 3.220 50 0 AGAARO C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 2732103 524863914 /nfs/dbraw/zinc/86/39/14/524863914.db2.gz HZUDLUBTTHIVTP-VIFPVBQESA-N 1 0 177.291 3.004 50 0 in-vitro AGAARO CCCCC[NH+](C)CCCCC 5820652 1224162672 /nfs/dbraw/zinc/16/26/72/1224162672.db2.gz JJRDPNRWFSHHKJ-UHFFFAOYSA-N 1 0 171.328 3.299 50 0 AGAARO CCCCCC[NH2+]Cc1ccc(C)o1 20143544 528145108 /nfs/dbraw/zinc/14/51/08/528145108.db2.gz INKFHCBPUHWCKQ-UHFFFAOYSA-N 1 0 195.306 3.258 50 0 AGAARO